smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1Cl ZINC000158895564 728896701 /nfs/dbraw/zinc/89/67/01/728896701.db2.gz GFUBKFQTQZTZEC-UHFFFAOYSA-N -1 3 360.750 2.680 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000134666164 728731941 /nfs/dbraw/zinc/73/19/41/728731941.db2.gz LRVIVXWQBPDHIG-UHFFFAOYSA-N -1 3 374.777 2.989 20 5 FFBDHM Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000151545843 728745865 /nfs/dbraw/zinc/74/58/65/728745865.db2.gz LEILOHMMQVJSLI-UHFFFAOYSA-N -1 3 366.171 2.575 20 5 FFBDHM CCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172965648 729037322 /nfs/dbraw/zinc/03/73/22/729037322.db2.gz YCKRPQNTFKBXBE-UHFFFAOYSA-N -1 3 351.222 2.824 20 5 FFBDHM Cc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000742646211 735246836 /nfs/dbraw/zinc/24/68/36/735246836.db2.gz CEXFRFRUAJNXAF-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1cc(C(=O)[N-]c2cc(C(F)(F)F)no2)c([N+](=O)[O-])cc1OC ZINC000748356890 735638469 /nfs/dbraw/zinc/63/84/69/735638469.db2.gz ZYOLLXQPDIYWLR-UHFFFAOYSA-N -1 3 361.232 2.871 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1nnc2ccccc2c1[O-] ZINC000756998258 736382434 /nfs/dbraw/zinc/38/24/34/736382434.db2.gz YQCAOLTVINJLJW-UHFFFAOYSA-N -1 3 358.741 2.827 20 5 FFBDHM CC(C)(C)n1cnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000759110904 736547765 /nfs/dbraw/zinc/54/77/65/736547765.db2.gz IARQHZMYEDAQAB-UHFFFAOYSA-N -1 3 368.191 2.956 20 5 FFBDHM CN(C(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000914890877 737597863 /nfs/dbraw/zinc/59/78/63/737597863.db2.gz IXKZKNDPCDJOSA-UHFFFAOYSA-N -1 3 359.363 2.957 20 5 FFBDHM COc1ccc(CCS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000800785671 740548372 /nfs/dbraw/zinc/54/83/72/740548372.db2.gz NHFULVRBADDMOR-UHFFFAOYSA-N -1 3 350.396 2.896 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C3(O)CCCCC3)s2)n1 ZINC000809775250 741342415 /nfs/dbraw/zinc/34/24/15/741342415.db2.gz IDHAUGXTVVOIJP-UHFFFAOYSA-N -1 3 365.415 2.672 20 5 FFBDHM O=c1ccnc(C=Cc2cc(I)cc([N+](=O)[O-])c2)[n-]1 ZINC000811690671 741548520 /nfs/dbraw/zinc/54/85/20/741548520.db2.gz DMOXYTCKVPIRMC-UPHRSURJSA-N -1 3 369.118 2.865 20 5 FFBDHM O=C([N-]C[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000852061799 749765504 /nfs/dbraw/zinc/76/55/04/749765504.db2.gz RHPUNDZXRQHVAY-JTQLQIEISA-N -1 3 363.311 2.624 20 5 FFBDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000208727377 845749814 /nfs/dbraw/zinc/74/98/14/845749814.db2.gz AALMLUQAIAFPTJ-UHFFFAOYSA-N -1 3 365.411 2.646 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000826498753 948414318 /nfs/dbraw/zinc/41/43/18/948414318.db2.gz IJQMHNHBXXSHRE-AWEZNQCLSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000826498753 948414321 /nfs/dbraw/zinc/41/43/21/948414321.db2.gz IJQMHNHBXXSHRE-AWEZNQCLSA-N -1 3 370.344 2.572 20 5 FFBDHM C[C@H]1[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311951436 963523828 /nfs/dbraw/zinc/52/38/28/963523828.db2.gz JTDQXWMXGOMRPX-GXTWGEPZSA-N -1 3 356.382 2.763 20 5 FFBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc([N+](=O)[O-])ccc1F)OCC ZINC001175735324 1013546960 /nfs/dbraw/zinc/54/69/60/1013546960.db2.gz CPRSHADHDWQXAU-UHFFFAOYSA-N -1 3 366.349 2.915 20 5 FFBDHM C[C@@H](COc1ccccc1)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592782085 979417524 /nfs/dbraw/zinc/41/75/24/979417524.db2.gz CUPUBARDBHGYDW-ZDUSSCGKSA-N -1 3 360.366 2.615 20 5 FFBDHM COc1cccc2c(C(=O)OCc3nc4cc([N+](=O)[O-])ccc4o3)n[n-]c21 ZINC000808674746 994220540 /nfs/dbraw/zinc/22/05/40/994220540.db2.gz MZFZDJGKWPVENT-UHFFFAOYSA-N -1 3 368.305 2.978 20 5 FFBDHM COc1cccc2c1n[n-]c2C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000808674746 994220550 /nfs/dbraw/zinc/22/05/50/994220550.db2.gz MZFZDJGKWPVENT-UHFFFAOYSA-N -1 3 368.305 2.978 20 5 FFBDHM COC(=O)c1oc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1C ZINC001131953199 994644829 /nfs/dbraw/zinc/64/48/29/994644829.db2.gz GYUPFWLOPSOGSE-UHFFFAOYSA-N -1 3 368.292 2.691 20 5 FFBDHM COc1cc(C(=O)[N-]c2nc(C(C)(C)OC)ns2)cc([N+](=O)[O-])c1C ZINC001132226058 994766985 /nfs/dbraw/zinc/76/69/85/994766985.db2.gz ZPVZYEFLWROHIA-UHFFFAOYSA-N -1 3 366.399 2.897 20 5 FFBDHM CCS(=O)(=O)c1cc(Cl)cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001186714341 1003397318 /nfs/dbraw/zinc/39/73/18/1003397318.db2.gz QGPKRDIYSXQZDO-UHFFFAOYSA-N -1 3 371.802 2.755 20 5 FFBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000853679373 1006503535 /nfs/dbraw/zinc/50/35/35/1006503535.db2.gz WQYNXOWBJCDZEM-RYUDHWBXSA-N -1 3 366.418 2.683 20 5 FFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001179177165 1009281074 /nfs/dbraw/zinc/28/10/74/1009281074.db2.gz RHFKVNNINUDEIW-RXMQYKEDSA-N -1 3 363.683 2.876 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c(F)c1 ZINC001116665899 1021342534 /nfs/dbraw/zinc/34/25/34/1021342534.db2.gz UWEAHDKZWNRPQH-UHFFFAOYSA-N -1 3 350.371 2.788 20 5 FFBDHM O=C([N-]C[C@@H](O)c1c(F)cccc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778348221 1021748096 /nfs/dbraw/zinc/74/80/96/1021748096.db2.gz RDYZPLBYVGRKOE-CYBMUJFWSA-N -1 3 372.274 2.815 20 5 FFBDHM O=c1oc2cc([O-])ccc2c2oc3cc(OC[C@H]4CNCCO4)ccc3c21 ZINC001218178718 1033033821 /nfs/dbraw/zinc/03/38/21/1033033821.db2.gz BWWRTVKAINMDML-CYBMUJFWSA-N -1 3 367.357 2.765 20 5 FFBDHM Cn1c(-c2cc([N+](=O)[O-])c[n-]c2=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001122989040 1023586555 /nfs/dbraw/zinc/58/65/55/1023586555.db2.gz HXHIALSJTSBSPN-NWDGAFQWSA-N -1 3 358.402 2.507 20 5 FFBDHM COc1ccc(C2=N/C(=C\c3ccc([O-])c(F)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000755375116 1023596425 /nfs/dbraw/zinc/59/64/25/1023596425.db2.gz FFLFGCVJRUXHKG-GHXNOFRVSA-N -1 3 358.281 2.793 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c2ccccc2oc1C(N)=O ZINC000756624220 1023736551 /nfs/dbraw/zinc/73/65/51/1023736551.db2.gz XEZBGGKMJRVHES-UHFFFAOYSA-N -1 3 355.306 2.701 20 5 FFBDHM COc1c(F)ccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1F ZINC001212935963 1027436809 /nfs/dbraw/zinc/43/68/09/1027436809.db2.gz XNIUZJURXKDPMM-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc(-c3ccccn3)n2)no1 ZINC001212937219 1027443280 /nfs/dbraw/zinc/44/32/80/1027443280.db2.gz UHINXJOCBGIARJ-UHFFFAOYSA-N -1 3 362.305 2.869 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2cccc3nc4ccccc4nc32)[n-]1 ZINC001153864413 1028032670 /nfs/dbraw/zinc/03/26/70/1028032670.db2.gz BIVGRDNJWOOALA-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2cccc3nc4ccccc4nc32)c[n-]1 ZINC001153864413 1028032683 /nfs/dbraw/zinc/03/26/83/1028032683.db2.gz BIVGRDNJWOOALA-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001161556241 1028227618 /nfs/dbraw/zinc/22/76/18/1028227618.db2.gz HJHMNHASPZXSKD-UHFFFAOYSA-N -1 3 353.338 2.518 20 5 FFBDHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc([N+](=O)[O-])s1 ZINC001158340049 1029802553 /nfs/dbraw/zinc/80/25/53/1029802553.db2.gz VWFWHZVXSIFWHY-UHFFFAOYSA-N -1 3 372.362 2.989 20 5 FFBDHM Cn1ncc2c1nc(SCc1ccc(Cl)cc1[N+](=O)[O-])[n-]c2=O ZINC001166524531 1030433683 /nfs/dbraw/zinc/43/36/83/1030433683.db2.gz PXTPKYDAWAYIQP-UHFFFAOYSA-N -1 3 351.775 2.923 20 5 FFBDHM O=C(Nc1cccc(Br)c1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001149480340 1031518894 /nfs/dbraw/zinc/51/88/94/1031518894.db2.gz HRLJQONAJSYHKR-UHFFFAOYSA-N -1 3 356.107 2.849 20 5 FFBDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225661763 1034355195 /nfs/dbraw/zinc/35/51/95/1034355195.db2.gz OXYWJJMBMLZQKP-ZYHUDNBSSA-N -1 3 353.375 2.720 20 5 FFBDHM O=c1nc2cnccc2c(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001226975984 1034900187 /nfs/dbraw/zinc/90/01/87/1034900187.db2.gz GVCCDTNANZTEQN-GFCCVEGCSA-N -1 3 366.255 2.909 20 5 FFBDHM CCOC(=O)[C@H](C)[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227745853 1035711081 /nfs/dbraw/zinc/71/10/81/1035711081.db2.gz OTJURIHVGMOXEN-HQJQHLMTSA-N -1 3 361.276 2.980 20 5 FFBDHM CCOC(=O)[C@H](C)[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227745853 1035711099 /nfs/dbraw/zinc/71/10/99/1035711099.db2.gz OTJURIHVGMOXEN-HQJQHLMTSA-N -1 3 361.276 2.980 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1[N+](=O)[O-] ZINC001228685800 1036254892 /nfs/dbraw/zinc/25/48/92/1036254892.db2.gz KLIQFJQZZPHNMQ-QWRGUYRKSA-N -1 3 371.365 2.730 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001228686210 1036256537 /nfs/dbraw/zinc/25/65/37/1036256537.db2.gz MOCDIIQIKURUHK-IJLUTSLNSA-N -1 3 365.386 2.781 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2C[C@H](N(C)C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228686754 1036257982 /nfs/dbraw/zinc/25/79/82/1036257982.db2.gz QTHHJLNLFKATJU-XYPYZODXSA-N -1 3 353.375 2.781 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228690007 1036263100 /nfs/dbraw/zinc/26/31/00/1036263100.db2.gz YWDKTRSBYOJAJQ-LLVKDONJSA-N -1 3 351.359 2.558 20 5 FFBDHM COc1nc(C)ccc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001247999956 1040093432 /nfs/dbraw/zinc/09/34/32/1040093432.db2.gz PFHNWJUYPMIWOT-UHFFFAOYSA-N -1 3 355.310 2.609 20 5 FFBDHM COc1cnc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c(C)c1 ZINC001248000394 1040096684 /nfs/dbraw/zinc/09/66/84/1040096684.db2.gz QYGRTSKTAYAGMU-UHFFFAOYSA-N -1 3 355.310 2.609 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2cnccc2o1 ZINC001213502054 1040614105 /nfs/dbraw/zinc/61/41/05/1040614105.db2.gz SHZXCBDWFRQXOY-VIFPVBQESA-N -1 3 365.342 2.915 20 5 FFBDHM Cc1cccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001214025316 1041168378 /nfs/dbraw/zinc/16/83/78/1041168378.db2.gz VFKACLAOVLVCFF-LLVKDONJSA-N -1 3 353.375 2.785 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)cc1 ZINC001320629174 1045439611 /nfs/dbraw/zinc/43/96/11/1045439611.db2.gz TUMXHLMHQSXGKC-UHFFFAOYSA-N -1 3 361.423 2.991 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001333164204 1048740247 /nfs/dbraw/zinc/74/02/47/1048740247.db2.gz YBEXLRWIXNWJSA-ZFRGLUTLSA-N -1 3 352.746 2.570 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ccc4cnccc4c3[N+](=O)[O-])C2)n1 ZINC001307208757 1052268994 /nfs/dbraw/zinc/26/89/94/1052268994.db2.gz MKTHKWBQYOLFEY-CYBMUJFWSA-N -1 3 366.381 2.638 20 5 FFBDHM CC(=O)c1ccc(N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001307209091 1052269138 /nfs/dbraw/zinc/26/91/38/1052269138.db2.gz SPGHUSDPPJZHMB-AWEZNQCLSA-N -1 3 371.397 2.682 20 5 FFBDHM COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001308599510 1052475060 /nfs/dbraw/zinc/47/50/60/1052475060.db2.gz UAHKNAGKBMICDW-QGZVFWFLSA-N -1 3 372.377 2.581 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c1cccc2Br ZINC001457878422 1060463459 /nfs/dbraw/zinc/46/34/59/1060463459.db2.gz RYQVQZPTGYXKTN-UHFFFAOYSA-N -1 3 364.155 2.661 20 5 FFBDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001475669702 1061192600 /nfs/dbraw/zinc/19/26/00/1061192600.db2.gz RPUHJZSMAKOWOD-JTQLQIEISA-N -1 3 355.803 2.991 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCC3)CO2)c([N+](=O)[O-])s1 ZINC001475677716 1061198474 /nfs/dbraw/zinc/19/84/74/1061198474.db2.gz RSCVUJARJQRMOI-LLVKDONJSA-N -1 3 360.457 2.592 20 5 FFBDHM Cc1cnc(CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c(C)c1 ZINC001463979521 1062360401 /nfs/dbraw/zinc/36/04/01/1062360401.db2.gz RJIDUQIDZZKPSJ-UHFFFAOYSA-N -1 3 367.402 2.575 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@](C)(O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001463994530 1062370693 /nfs/dbraw/zinc/37/06/93/1062370693.db2.gz KBUJGHMUOOIHOV-ABAIWWIYSA-N -1 3 370.452 2.539 20 5 FFBDHM Cc1ccc2sc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC001464274485 1062520594 /nfs/dbraw/zinc/52/05/94/1062520594.db2.gz QVIYDBDQPWCWIZ-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM COC(=O)Cc1occ(C)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC001525549014 1063340090 /nfs/dbraw/zinc/34/00/90/1063340090.db2.gz MVEWZHRUSJYYGO-UHFFFAOYSA-N -1 3 354.265 2.742 20 5 FFBDHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001467781533 1063850949 /nfs/dbraw/zinc/85/09/49/1063850949.db2.gz NAALAITXECQTPF-ZDUSSCGKSA-N -1 3 355.822 2.804 20 5 FFBDHM Nc1c(C(=O)Nc2cc([O-])cc(Br)c2)cccc1[N+](=O)[O-] ZINC001468027491 1063914372 /nfs/dbraw/zinc/91/43/72/1063914372.db2.gz JCKMVYBRJHMGKJ-UHFFFAOYSA-N -1 3 352.144 2.897 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288676 1065002411 /nfs/dbraw/zinc/00/24/11/1065002411.db2.gz OWOVHQWGHKQIED-JOCQHMNTSA-N -1 3 356.382 2.855 20 5 FFBDHM CCOCc1ccccc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001578377045 1078466931 /nfs/dbraw/zinc/46/69/31/1078466931.db2.gz FRFSNUUDWOSBLS-UHFFFAOYSA-N -1 3 354.370 2.924 20 5 FFBDHM CCOCc1ccccc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001578377045 1078466933 /nfs/dbraw/zinc/46/69/33/1078466933.db2.gz FRFSNUUDWOSBLS-UHFFFAOYSA-N -1 3 354.370 2.924 20 5 FFBDHM Cc1c(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC001580534405 1078819787 /nfs/dbraw/zinc/81/97/87/1078819787.db2.gz IIYJAMQIWSMLON-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM Cc1c(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC001580534405 1078819792 /nfs/dbraw/zinc/81/97/92/1078819792.db2.gz IIYJAMQIWSMLON-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001580772092 1078858386 /nfs/dbraw/zinc/85/83/86/1078858386.db2.gz JHLDAPIGFZMMKX-LBPRGKRZSA-N -1 3 366.381 2.917 20 5 FFBDHM Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001580772092 1078858393 /nfs/dbraw/zinc/85/83/93/1078858393.db2.gz JHLDAPIGFZMMKX-LBPRGKRZSA-N -1 3 366.381 2.917 20 5 FFBDHM Cc1cc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC001580815325 1078872175 /nfs/dbraw/zinc/87/21/75/1078872175.db2.gz LXOFEAAHDNNLED-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM Cc1cc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC001580815325 1078872181 /nfs/dbraw/zinc/87/21/81/1078872181.db2.gz LXOFEAAHDNNLED-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1(c2ccc(F)cc2)CCC1 ZINC001582803509 1079109068 /nfs/dbraw/zinc/10/90/68/1079109068.db2.gz KFHNIVMNUFBTKR-UHFFFAOYSA-N -1 3 369.360 2.843 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1(c2ccc(F)cc2)CCC1 ZINC001582803509 1079109071 /nfs/dbraw/zinc/10/90/71/1079109071.db2.gz KFHNIVMNUFBTKR-UHFFFAOYSA-N -1 3 369.360 2.843 20 5 FFBDHM O=[N+]([O-])c1ccc2oc(CSc3ccncc3-c3nnn[n-]3)nc2c1 ZINC001582804281 1079109884 /nfs/dbraw/zinc/10/98/84/1079109884.db2.gz PRXKJCBSMGJLEA-UHFFFAOYSA-N -1 3 355.339 2.603 20 5 FFBDHM O=[N+]([O-])c1ccc2oc(CSc3ccncc3-c3nn[n-]n3)nc2c1 ZINC001582804281 1079109887 /nfs/dbraw/zinc/10/98/87/1079109887.db2.gz PRXKJCBSMGJLEA-UHFFFAOYSA-N -1 3 355.339 2.603 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(-c2nnn[n-]2)c1 ZINC001582803945 1079110073 /nfs/dbraw/zinc/11/00/73/1079110073.db2.gz DLIPVZBNMJVBBS-NUEKZKHPSA-N -1 3 352.329 2.664 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(-c2nn[n-]n2)c1 ZINC001582803945 1079110076 /nfs/dbraw/zinc/11/00/76/1079110076.db2.gz DLIPVZBNMJVBBS-NUEKZKHPSA-N -1 3 352.329 2.664 20 5 FFBDHM Cn1ccnc1Sc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001583924314 1079283798 /nfs/dbraw/zinc/28/37/98/1079283798.db2.gz ZCOHYZXMSDWHKI-UHFFFAOYSA-N -1 3 371.378 2.832 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(F)c1Cl ZINC001558760900 1076070945 /nfs/dbraw/zinc/07/09/45/1076070945.db2.gz WCIFZLFUGQTPNA-UHFFFAOYSA-N -1 3 369.692 2.527 20 5 FFBDHM C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001559223306 1076136751 /nfs/dbraw/zinc/13/67/51/1076136751.db2.gz GCNGTUODAOKGEL-IUCAKERBSA-N -1 3 365.777 2.819 20 5 FFBDHM COC(=O)c1ccc2c(c1)CN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C2 ZINC001560696719 1076292611 /nfs/dbraw/zinc/29/26/11/1076292611.db2.gz ZCWARGNYCGKEOU-UHFFFAOYSA-N -1 3 358.350 2.611 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001561414920 1076373818 /nfs/dbraw/zinc/37/38/18/1076373818.db2.gz JVLDTINGSHBWRR-CHWSQXEVSA-N -1 3 374.434 2.914 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001561911625 1076443442 /nfs/dbraw/zinc/44/34/42/1076443442.db2.gz QOSJIRSNOTXDMN-SNVBAGLBSA-N -1 3 351.340 2.543 20 5 FFBDHM Cc1ccc([O-])c(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)n1 ZINC001568296137 1077084057 /nfs/dbraw/zinc/08/40/57/1077084057.db2.gz PMDBDTMSDOUDNM-UHFFFAOYSA-N -1 3 353.338 2.501 20 5 FFBDHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001586482680 1079637057 /nfs/dbraw/zinc/63/70/57/1079637057.db2.gz BPDAVPGODCBYIX-KDOFPFPSSA-N -1 3 369.421 2.941 20 5 FFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588917096 1080263374 /nfs/dbraw/zinc/26/33/74/1080263374.db2.gz ANTWZNMTBIQXQT-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588917096 1080263385 /nfs/dbraw/zinc/26/33/85/1080263385.db2.gz ANTWZNMTBIQXQT-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(C)(CCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC001589276385 1080460004 /nfs/dbraw/zinc/46/00/04/1080460004.db2.gz VSSUENIFGARUIN-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM CC(C)(CCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001589276385 1080460007 /nfs/dbraw/zinc/46/00/07/1080460007.db2.gz VSSUENIFGARUIN-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC001589876684 1080826041 /nfs/dbraw/zinc/82/60/41/1080826041.db2.gz KSPJVJLSGOBVHP-GFCCVEGCSA-N -1 3 365.397 2.638 20 5 FFBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC001589876684 1080826044 /nfs/dbraw/zinc/82/60/44/1080826044.db2.gz KSPJVJLSGOBVHP-GFCCVEGCSA-N -1 3 365.397 2.638 20 5 FFBDHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001589880893 1080828832 /nfs/dbraw/zinc/82/88/32/1080828832.db2.gz LLLQBYYDSGABGJ-MRVPVSSYSA-N -1 3 361.312 2.664 20 5 FFBDHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001589880893 1080828837 /nfs/dbraw/zinc/82/88/37/1080828837.db2.gz LLLQBYYDSGABGJ-MRVPVSSYSA-N -1 3 361.312 2.664 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589921519 1080862407 /nfs/dbraw/zinc/86/24/07/1080862407.db2.gz BEJNSECVQVPMCR-BZYZDCJZSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589921519 1080862417 /nfs/dbraw/zinc/86/24/17/1080862417.db2.gz BEJNSECVQVPMCR-BZYZDCJZSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC001589946340 1080888609 /nfs/dbraw/zinc/88/86/09/1080888609.db2.gz IWTJWQDEHQDPGT-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC001589946340 1080888617 /nfs/dbraw/zinc/88/86/17/1080888617.db2.gz IWTJWQDEHQDPGT-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589977996 1080916729 /nfs/dbraw/zinc/91/67/29/1080916729.db2.gz DTOSIYRQGOUHIW-SECBINFHSA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@@H](Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589977996 1080916732 /nfs/dbraw/zinc/91/67/32/1080916732.db2.gz DTOSIYRQGOUHIW-SECBINFHSA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC001589980503 1080918513 /nfs/dbraw/zinc/91/85/13/1080918513.db2.gz BPIKLVQINFNWRP-QMTHXVAHSA-N -1 3 352.354 2.752 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC001589984703 1080922229 /nfs/dbraw/zinc/92/22/29/1080922229.db2.gz VYDYSAXJGOUMBA-ZETCQYMHSA-N -1 3 361.312 2.808 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC001589984703 1080922232 /nfs/dbraw/zinc/92/22/32/1080922232.db2.gz VYDYSAXJGOUMBA-ZETCQYMHSA-N -1 3 361.312 2.808 20 5 FFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001590042860 1080969033 /nfs/dbraw/zinc/96/90/33/1080969033.db2.gz KOEGGLUKIOCHSK-NSHDSACASA-N -1 3 352.354 2.608 20 5 FFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001590042860 1080969036 /nfs/dbraw/zinc/96/90/36/1080969036.db2.gz KOEGGLUKIOCHSK-NSHDSACASA-N -1 3 352.354 2.608 20 5 FFBDHM C[C@H]1C[C@H](c2cccnc2)N(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590214345 1081095889 /nfs/dbraw/zinc/09/58/89/1081095889.db2.gz MCEOOGFXGBADCV-IINYFYTJSA-N -1 3 369.360 2.897 20 5 FFBDHM C[C@H]1C[C@H](c2cccnc2)N(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590214345 1081095894 /nfs/dbraw/zinc/09/58/94/1081095894.db2.gz MCEOOGFXGBADCV-IINYFYTJSA-N -1 3 369.360 2.897 20 5 FFBDHM C[C@H]1C[C@H](c2cccnc2)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590215399 1081097790 /nfs/dbraw/zinc/09/77/90/1081097790.db2.gz VCZYVYMGDCQTQD-XHDPSFHLSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@H]1C[C@H](c2cccnc2)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590215399 1081097796 /nfs/dbraw/zinc/09/77/96/1081097796.db2.gz VCZYVYMGDCQTQD-XHDPSFHLSA-N -1 3 351.370 2.757 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000163340947 251184119 /nfs/dbraw/zinc/18/41/19/251184119.db2.gz WOYLRBOMYGEICL-HOCLYGCPSA-N -1 3 362.407 2.793 20 5 FFBDHM COCc1ncc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)s1 ZINC000287152180 257074585 /nfs/dbraw/zinc/07/45/85/257074585.db2.gz RFVGVODEKBBCTN-UHFFFAOYSA-N -1 3 365.367 2.545 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2nccs2)c(Cl)c1 ZINC000290235644 257321536 /nfs/dbraw/zinc/32/15/36/257321536.db2.gz YLVFPGQNOKQVBR-UHFFFAOYSA-N -1 3 361.832 2.616 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCCC2)c(Br)c1 ZINC000331337090 258182483 /nfs/dbraw/zinc/18/24/83/258182483.db2.gz KVFRXYIKSUPTBI-UHFFFAOYSA-N -1 3 363.233 2.968 20 5 FFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000053671488 506426750 /nfs/dbraw/zinc/42/67/50/506426750.db2.gz JKCDSWATWCPBHC-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000409883789 512160595 /nfs/dbraw/zinc/16/05/95/512160595.db2.gz HXKVFGDAHBTOKE-UHFFFAOYSA-N -1 3 364.370 2.707 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000366728257 512161552 /nfs/dbraw/zinc/16/15/52/512161552.db2.gz HKJQEVJXIVMTOO-CXAGYDPISA-N -1 3 355.394 2.551 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043997003 506805951 /nfs/dbraw/zinc/80/59/51/506805951.db2.gz BGYYJBIGOOZSOV-LURJTMIESA-N -1 3 361.305 2.851 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043997003 506805959 /nfs/dbraw/zinc/80/59/59/506805959.db2.gz BGYYJBIGOOZSOV-LURJTMIESA-N -1 3 361.305 2.851 20 5 FFBDHM CCNC(=O)Nc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000067301210 506821663 /nfs/dbraw/zinc/82/16/63/506821663.db2.gz UVLDWXNFCUKARN-UHFFFAOYSA-N -1 3 368.353 2.865 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c(F)c1 ZINC000056004715 506908545 /nfs/dbraw/zinc/90/85/45/506908545.db2.gz PWEHDGGUFVPXKK-UHFFFAOYSA-N -1 3 350.371 2.744 20 5 FFBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000056090462 506932567 /nfs/dbraw/zinc/93/25/67/506932567.db2.gz GIWDSGAYIVMPEO-UHFFFAOYSA-N -1 3 350.396 2.862 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C)cc1C ZINC000056105057 506935205 /nfs/dbraw/zinc/93/52/05/506935205.db2.gz IGLWHWHGTJLVFF-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c(F)c1 ZINC000068938430 507366346 /nfs/dbraw/zinc/36/63/46/507366346.db2.gz ZFFBCDHEGUCZEA-ZDUSSCGKSA-N -1 3 370.333 2.675 20 5 FFBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000108721792 507914004 /nfs/dbraw/zinc/91/40/04/507914004.db2.gz CGJOSOLWHZAUPF-UHFFFAOYSA-N -1 3 363.370 2.954 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000113947058 508287558 /nfs/dbraw/zinc/28/75/58/508287558.db2.gz INURQEFREJRRIZ-LLVKDONJSA-N -1 3 353.400 2.856 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC(=O)c1cccs1 ZINC000152384118 508434862 /nfs/dbraw/zinc/43/48/62/508434862.db2.gz AVHDKXGTQKZEQS-NSHDSACASA-N -1 3 368.436 2.905 20 5 FFBDHM Cn1cnc(-c2cccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)c2)n1 ZINC000128342366 508579657 /nfs/dbraw/zinc/57/96/57/508579657.db2.gz CUOWEZZNXHKQHM-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000123263051 508660600 /nfs/dbraw/zinc/66/06/00/508660600.db2.gz FRYFPXHKTOOCHT-UHFFFAOYSA-N -1 3 356.425 2.630 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000124605608 508857468 /nfs/dbraw/zinc/85/74/68/508857468.db2.gz BVJDJBQQVGRQMT-RYUDHWBXSA-N -1 3 360.457 2.591 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000124765293 508882244 /nfs/dbraw/zinc/88/22/44/508882244.db2.gz AYSWPXUVGAGRTR-VIFPVBQESA-N -1 3 374.415 2.850 20 5 FFBDHM Cc1nc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sc1C ZINC000121658724 509180147 /nfs/dbraw/zinc/18/01/47/509180147.db2.gz IGVOTTWPEADZBT-UHFFFAOYSA-N -1 3 369.468 2.806 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(NC(C)=O)cc3s2)n1 ZINC000191800723 509186884 /nfs/dbraw/zinc/18/68/84/509186884.db2.gz WLXLQNDOUZWERK-UHFFFAOYSA-N -1 3 374.382 2.632 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000185469023 509191997 /nfs/dbraw/zinc/19/19/97/509191997.db2.gz PVUJQXFKFOYGKS-CYBMUJFWSA-N -1 3 368.397 2.926 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000185469023 509192001 /nfs/dbraw/zinc/19/20/01/509192001.db2.gz PVUJQXFKFOYGKS-CYBMUJFWSA-N -1 3 368.397 2.926 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(O)cc3)cs2)n1 ZINC000191851990 509212354 /nfs/dbraw/zinc/21/23/54/509212354.db2.gz BGYQCQTYLJLSJZ-UHFFFAOYSA-N -1 3 359.367 2.893 20 5 FFBDHM COc1cccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000191952456 509260705 /nfs/dbraw/zinc/26/07/05/509260705.db2.gz ZVKPEIKKSYMAMX-UHFFFAOYSA-N -1 3 373.409 2.513 20 5 FFBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000189152763 509437815 /nfs/dbraw/zinc/43/78/15/509437815.db2.gz IYPXBGHURIRMTQ-LBPRGKRZSA-N -1 3 365.411 2.655 20 5 FFBDHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164131099 509467641 /nfs/dbraw/zinc/46/76/41/509467641.db2.gz PKARNEQOLKQXKO-MRXNPFEDSA-N -1 3 355.394 2.867 20 5 FFBDHM CN1CCC(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179495407 509478539 /nfs/dbraw/zinc/47/85/39/509478539.db2.gz NBXHLVFZMVCDRG-UHFFFAOYSA-N -1 3 359.382 2.630 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000179518985 509491620 /nfs/dbraw/zinc/49/16/20/509491620.db2.gz AKAGBNZAZQTXHD-UHFFFAOYSA-N -1 3 372.349 2.501 20 5 FFBDHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173598095 509668405 /nfs/dbraw/zinc/66/84/05/509668405.db2.gz HEFXDHLNKYMVCU-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000174244711 510021566 /nfs/dbraw/zinc/02/15/66/510021566.db2.gz PXLMEORVQATZKK-CYBMUJFWSA-N -1 3 374.397 2.762 20 5 FFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000171422019 510150398 /nfs/dbraw/zinc/15/03/98/510150398.db2.gz YKSWCPLJRSQZFQ-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(C(F)F)s2)cc([N+](=O)[O-])c1OC ZINC000265920148 510300372 /nfs/dbraw/zinc/30/03/72/510300372.db2.gz WITZAMIAAOGCGI-UHFFFAOYSA-N -1 3 360.298 2.653 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c([N+](=O)[O-])c1 ZINC000246157164 510328040 /nfs/dbraw/zinc/32/80/40/510328040.db2.gz BYMBNWMFFPCQPX-BMGDILEWSA-N -1 3 374.418 2.610 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2ccsc2Cl)cc([N+](=O)[O-])c1 ZINC000187812433 510449197 /nfs/dbraw/zinc/44/91/97/510449197.db2.gz LFDRCNXKWHLZIF-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000184704433 510473496 /nfs/dbraw/zinc/47/34/96/510473496.db2.gz FUPXZBJFAUXKNT-VIFPVBQESA-N -1 3 357.292 2.939 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000184704433 510473497 /nfs/dbraw/zinc/47/34/97/510473497.db2.gz FUPXZBJFAUXKNT-VIFPVBQESA-N -1 3 357.292 2.939 20 5 FFBDHM O=C([N-]c1c(F)cc(F)cc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000175310772 510582414 /nfs/dbraw/zinc/58/24/14/510582414.db2.gz DBJPXQYXLRFDAO-UHFFFAOYSA-N -1 3 363.255 2.845 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000184937064 510594653 /nfs/dbraw/zinc/59/46/53/510594653.db2.gz XBAOJALDEJVECN-GFCCVEGCSA-N -1 3 360.370 2.702 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000184937064 510594657 /nfs/dbraw/zinc/59/46/57/510594657.db2.gz XBAOJALDEJVECN-GFCCVEGCSA-N -1 3 360.370 2.702 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2Br)n1 ZINC000191662020 510776970 /nfs/dbraw/zinc/77/69/70/510776970.db2.gz YWSRVHVSZVLOMX-UHFFFAOYSA-N -1 3 357.139 2.965 20 5 FFBDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cn1 ZINC000295345094 511371395 /nfs/dbraw/zinc/37/13/95/511371395.db2.gz NTUBYFDIMQVPRM-SNVBAGLBSA-N -1 3 372.834 2.813 20 5 FFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ncc[nH]1 ZINC000296112910 511624331 /nfs/dbraw/zinc/62/43/31/511624331.db2.gz RKNCILSEAQHLCP-GFCCVEGCSA-N -1 3 358.807 2.647 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280847543 511626965 /nfs/dbraw/zinc/62/69/65/511626965.db2.gz AAONBYFJEAIYBR-BBRMVZONSA-N -1 3 355.394 2.551 20 5 FFBDHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274743014 511928326 /nfs/dbraw/zinc/92/83/26/511928326.db2.gz DFRBMNXYNNKGHT-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000367701310 512623322 /nfs/dbraw/zinc/62/33/22/512623322.db2.gz YYXIGCBBTAQJBV-UKRRQHHQSA-N -1 3 355.394 2.693 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCC2(CCOCC2)CC1 ZINC000370252943 512843212 /nfs/dbraw/zinc/84/32/12/512843212.db2.gz UCWPUFMEABTFCE-UHFFFAOYSA-N -1 3 354.428 2.613 20 5 FFBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000368252974 512865916 /nfs/dbraw/zinc/86/59/16/512865916.db2.gz OLNNWIWMZWJLGR-UHFFFAOYSA-N -1 3 371.784 2.647 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2nn(C)c(C)c2Cl)c(C)c([N+](=O)[O-])c1 ZINC000421508390 513288989 /nfs/dbraw/zinc/28/89/89/513288989.db2.gz QGYVLYXQKKITBO-UHFFFAOYSA-N -1 3 366.761 2.637 20 5 FFBDHM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425012710 513370424 /nfs/dbraw/zinc/37/04/24/513370424.db2.gz PTFDVWLUGVSVGQ-MAUKXSAKSA-N -1 3 367.405 2.647 20 5 FFBDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447015285 513383761 /nfs/dbraw/zinc/38/37/61/513383761.db2.gz FUZMCJFKVKMCAR-MRVPVSSYSA-N -1 3 352.334 2.938 20 5 FFBDHM CCSc1nccnc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000430688614 513724237 /nfs/dbraw/zinc/72/42/37/513724237.db2.gz YRPFNBYNOCXHEH-UHFFFAOYSA-N -1 3 362.367 2.536 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(CC(=O)N2CCCc3cccc([O-])c32)c1F ZINC000413667691 513757594 /nfs/dbraw/zinc/75/75/94/513757594.db2.gz IJPSCIKXSJVVGK-UHFFFAOYSA-N -1 3 360.341 2.970 20 5 FFBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416476045 513791092 /nfs/dbraw/zinc/79/10/92/513791092.db2.gz WSAUKSVZPSKGJT-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])cn1C ZINC000416483129 513796579 /nfs/dbraw/zinc/79/65/79/513796579.db2.gz IXWHCFNZQKBFRI-UHFFFAOYSA-N -1 3 366.443 2.665 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416490556 513800637 /nfs/dbraw/zinc/80/06/37/513800637.db2.gz VHWXBXQKIRTBDG-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000416533410 513819484 /nfs/dbraw/zinc/81/94/84/513819484.db2.gz GONFLONMFNEDLZ-SSDOTTSWSA-N -1 3 373.481 2.949 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2nc3c(s2)CCC3)cc1[N+](=O)[O-] ZINC000416533431 513819974 /nfs/dbraw/zinc/81/99/74/513819974.db2.gz GONFLONMFNEDLZ-ZETCQYMHSA-N -1 3 373.481 2.949 20 5 FFBDHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416581304 513846974 /nfs/dbraw/zinc/84/69/74/513846974.db2.gz FMEHLIJZCXKUKE-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)cc1C ZINC000416630058 513876450 /nfs/dbraw/zinc/87/64/50/513876450.db2.gz IPCFDVURQSAVHF-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436638820 513925494 /nfs/dbraw/zinc/92/54/94/513925494.db2.gz LOKKMGFKSBDXBY-RHSMWYFYSA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c1C ZINC000443303983 513927043 /nfs/dbraw/zinc/92/70/43/513927043.db2.gz FJXMVHBBQQCPMV-OAHLLOKOSA-N -1 3 370.471 2.821 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436775811 513976364 /nfs/dbraw/zinc/97/63/64/513976364.db2.gz RRNCUQJEDDKGGZ-DZGCQCFKSA-N -1 3 355.394 2.866 20 5 FFBDHM COc1cc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000426635463 514002122 /nfs/dbraw/zinc/00/21/22/514002122.db2.gz AULRZSIISAWKEH-APPDUMDISA-N -1 3 352.387 2.680 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(C)C)[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000451839419 514016827 /nfs/dbraw/zinc/01/68/27/514016827.db2.gz CIEVBWTXAWQGFA-SMDDNHRTSA-N -1 3 364.489 2.532 20 5 FFBDHM C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CN1Cc1ccccc1 ZINC000436888758 514021902 /nfs/dbraw/zinc/02/19/02/514021902.db2.gz UBBPYDPWEDQYKG-DZGCQCFKSA-N -1 3 355.394 2.693 20 5 FFBDHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000452007343 514131561 /nfs/dbraw/zinc/13/15/61/514131561.db2.gz QHWWLMUXPTWJJR-VIFPVBQESA-N -1 3 358.807 2.504 20 5 FFBDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000427248998 514161680 /nfs/dbraw/zinc/16/16/80/514161680.db2.gz KCENNLHEBHQPBS-TZMCWYRMSA-N -1 3 374.484 2.946 20 5 FFBDHM Cc1ccc2c(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)ccc([O-])c2n1 ZINC000427275125 514168867 /nfs/dbraw/zinc/16/88/67/514168867.db2.gz KPGZDPKYKHWQCH-UHFFFAOYSA-N -1 3 363.329 2.953 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2noc3ccccc32)c1[N+](=O)[O-] ZINC000439186927 514505126 /nfs/dbraw/zinc/50/51/26/514505126.db2.gz HWNGUHDORJQOSC-UHFFFAOYSA-N -1 3 361.379 2.831 20 5 FFBDHM O=C(Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)c1ccco1 ZINC000484245539 514600330 /nfs/dbraw/zinc/60/03/30/514600330.db2.gz PIXWUZFZIIXGQO-UHFFFAOYSA-N -1 3 368.305 2.793 20 5 FFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cncc(Cl)c2)c(Cl)c1 ZINC000466539401 514682819 /nfs/dbraw/zinc/68/28/19/514682819.db2.gz HDLBWLUFOXMFDD-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000479989892 514800502 /nfs/dbraw/zinc/80/05/02/514800502.db2.gz TYTLPCHZTUJSHK-AWEZNQCLSA-N -1 3 354.384 2.552 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000467057075 514881188 /nfs/dbraw/zinc/88/11/88/514881188.db2.gz DADLTFMCQAGLOP-UHFFFAOYSA-N -1 3 366.424 2.628 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000467057075 514881195 /nfs/dbraw/zinc/88/11/95/514881195.db2.gz DADLTFMCQAGLOP-UHFFFAOYSA-N -1 3 366.424 2.628 20 5 FFBDHM COC1CCC(C)(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000480387749 514939155 /nfs/dbraw/zinc/93/91/55/514939155.db2.gz FWKQILSJEIVQNH-UHFFFAOYSA-N -1 3 362.473 2.838 20 5 FFBDHM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000480417640 514949663 /nfs/dbraw/zinc/94/96/63/514949663.db2.gz WXMVILKJZOAODN-UHFFFAOYSA-N -1 3 359.407 2.873 20 5 FFBDHM COc1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000476308251 514994108 /nfs/dbraw/zinc/99/41/08/514994108.db2.gz QCVZPJMXUWKZIQ-UHFFFAOYSA-N -1 3 374.303 2.946 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)cc1[N+](=O)[O-] ZINC000467416152 515000891 /nfs/dbraw/zinc/00/08/91/515000891.db2.gz HMDJBXHUEGDVRA-GFCCVEGCSA-N -1 3 368.436 2.994 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC000462492870 515083736 /nfs/dbraw/zinc/08/37/36/515083736.db2.gz VVDXWXMVEIMFAC-KGLIPLIRSA-N -1 3 354.428 2.851 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)n1 ZINC000503635138 515103004 /nfs/dbraw/zinc/10/30/04/515103004.db2.gz DQHNZVARNODRDV-UHFFFAOYSA-N -1 3 355.232 2.741 20 5 FFBDHM Cc1nnc([N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1C ZINC000485697950 515147985 /nfs/dbraw/zinc/14/79/85/515147985.db2.gz QZNLWUAJJRNXNC-UHFFFAOYSA-N -1 3 367.365 2.863 20 5 FFBDHM COCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000490312256 515172966 /nfs/dbraw/zinc/17/29/66/515172966.db2.gz AOAPRFAVQLKCHF-UHFFFAOYSA-N -1 3 370.349 2.565 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000476920007 515250906 /nfs/dbraw/zinc/25/09/06/515250906.db2.gz DCNJRSKIEWUSAH-AWEZNQCLSA-N -1 3 362.407 2.932 20 5 FFBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477154217 515350547 /nfs/dbraw/zinc/35/05/47/515350547.db2.gz ZIFYEYYMIVJLTF-RYUDHWBXSA-N -1 3 370.427 2.613 20 5 FFBDHM CN(C)c1ncncc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486188913 515372488 /nfs/dbraw/zinc/37/24/88/515372488.db2.gz HHZASUYHNORRHA-UHFFFAOYSA-N -1 3 372.204 2.527 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000499707799 515420289 /nfs/dbraw/zinc/42/02/89/515420289.db2.gz JFAXVXJTZCNODK-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000492333452 515527512 /nfs/dbraw/zinc/52/75/12/515527512.db2.gz KSDYOGFRVSZKJZ-UHFFFAOYSA-N -1 3 360.388 2.591 20 5 FFBDHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000510551024 515582669 /nfs/dbraw/zinc/58/26/69/515582669.db2.gz HMOCUYIBZPVGGK-XVKPBYJWSA-N -1 3 370.374 2.643 20 5 FFBDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000510551022 515583855 /nfs/dbraw/zinc/58/38/55/515583855.db2.gz HMOCUYIBZPVGGK-OIBJUYFYSA-N -1 3 370.374 2.643 20 5 FFBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000500103103 515590562 /nfs/dbraw/zinc/59/05/62/515590562.db2.gz QMGUTZWQAWCWCI-HNNXBMFYSA-N -1 3 369.487 2.754 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000482211656 515609967 /nfs/dbraw/zinc/60/99/67/515609967.db2.gz MSQYKGCMTJDWFG-UHFFFAOYSA-N -1 3 371.319 2.959 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000482211656 515609974 /nfs/dbraw/zinc/60/99/74/515609974.db2.gz MSQYKGCMTJDWFG-UHFFFAOYSA-N -1 3 371.319 2.959 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000482211656 515609981 /nfs/dbraw/zinc/60/99/81/515609981.db2.gz MSQYKGCMTJDWFG-UHFFFAOYSA-N -1 3 371.319 2.959 20 5 FFBDHM Cc1oc(C2CC2)nc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000493306261 515619324 /nfs/dbraw/zinc/61/93/24/515619324.db2.gz SDEIEXCFUVHQNC-UHFFFAOYSA-N -1 3 353.338 2.833 20 5 FFBDHM COc1cccc(CN(CCN(C)C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000482414347 515670094 /nfs/dbraw/zinc/67/00/94/515670094.db2.gz YJXMFWJUUCOAMN-UHFFFAOYSA-N -1 3 373.409 2.513 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)cc1C ZINC000511023992 515746980 /nfs/dbraw/zinc/74/69/80/515746980.db2.gz BDEVXOXVOXMDHO-JTQLQIEISA-N -1 3 371.365 2.924 20 5 FFBDHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506784230 515985222 /nfs/dbraw/zinc/98/52/22/515985222.db2.gz ZWRGRDQKIPBHOB-MRXNPFEDSA-N -1 3 355.394 2.695 20 5 FFBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000460473162 516161444 /nfs/dbraw/zinc/16/14/44/516161444.db2.gz SEUXKASCCJDGLM-UHFFFAOYSA-N -1 3 361.379 2.897 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2coc3ccccc23)c([N+](=O)[O-])c1 ZINC000512150637 516175179 /nfs/dbraw/zinc/17/51/79/516175179.db2.gz YZNDANSSLVTTLL-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000507466160 516218198 /nfs/dbraw/zinc/21/81/98/516218198.db2.gz BKTDYYZWWBAXAH-DZGCQCFKSA-N -1 3 356.444 2.777 20 5 FFBDHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507514555 516228143 /nfs/dbraw/zinc/22/81/43/516228143.db2.gz BJOPKUPQSWBVCM-UHFFFAOYSA-N -1 3 364.423 2.918 20 5 FFBDHM COc1cc2nc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])sc2cc1OC ZINC000523683851 516544923 /nfs/dbraw/zinc/54/49/23/516544923.db2.gz PDZMARPFXRHSGF-UHFFFAOYSA-N -1 3 363.355 2.506 20 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CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000562749158 517367082 /nfs/dbraw/zinc/36/70/82/517367082.db2.gz IKQOZPTZOMDSRJ-QWHCGFSZSA-N -1 3 358.354 2.545 20 5 FFBDHM COC[C@@](C)(NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000556321926 517369313 /nfs/dbraw/zinc/36/93/13/517369313.db2.gz RIMOPFRCEACCSJ-LJQANCHMSA-N -1 3 373.409 2.942 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000553324361 517645487 /nfs/dbraw/zinc/64/54/87/517645487.db2.gz IGTBFYKRLXVXOJ-UHFFFAOYSA-N -1 3 361.155 2.679 20 5 FFBDHM CCOc1cc(NCc2ccc(S(=O)(=O)[N-]C)s2)ccc1[N+](=O)[O-] ZINC000538895959 517832193 /nfs/dbraw/zinc/83/21/93/517832193.db2.gz UGXZAFBYSHCVPC-UHFFFAOYSA-N -1 3 371.440 2.575 20 5 FFBDHM CC[C@@H](C)n1nc([N-]c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C ZINC000539392860 518025573 /nfs/dbraw/zinc/02/55/73/518025573.db2.gz IEEJHLGOROBTNC-SNVBAGLBSA-N -1 3 352.416 2.640 20 5 FFBDHM CCc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1[O-] ZINC000531119101 518143398 /nfs/dbraw/zinc/14/33/98/518143398.db2.gz TYUTTZDBSHLIIA-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c(F)c1 ZINC000539721934 518149075 /nfs/dbraw/zinc/14/90/75/518149075.db2.gz PRFWMOUEQGIPIU-UHFFFAOYSA-N -1 3 369.312 2.974 20 5 FFBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000531142558 518151908 /nfs/dbraw/zinc/15/19/08/518151908.db2.gz WYJHDBVQQLFHNP-LBPRGKRZSA-N -1 3 368.386 2.870 20 5 FFBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000572564502 518247430 /nfs/dbraw/zinc/24/74/30/518247430.db2.gz LIZYOCPITAIIHR-CQSZACIVSA-N -1 3 370.452 2.694 20 5 FFBDHM CC1CCN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000578572708 518270373 /nfs/dbraw/zinc/27/03/73/518270373.db2.gz YRFHHVDZFCOWRB-UHFFFAOYSA-N -1 3 365.358 2.585 20 5 FFBDHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1[O-] ZINC000588101069 518726593 /nfs/dbraw/zinc/72/65/93/518726593.db2.gz XASMUSUTYXHXHI-UHFFFAOYSA-N -1 3 364.741 2.922 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000580852076 519392521 /nfs/dbraw/zinc/39/25/21/519392521.db2.gz DHCHUUKVNLIDOZ-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000566271844 519404625 /nfs/dbraw/zinc/40/46/25/519404625.db2.gz ZHUINJZXUZZWFF-YOEHRIQHSA-N -1 3 369.421 2.941 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000566286339 519411875 /nfs/dbraw/zinc/41/18/75/519411875.db2.gz KZNOBKLNVUCUFB-UHFFFAOYSA-N -1 3 373.369 2.634 20 5 FFBDHM CN(C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000566294369 519418373 /nfs/dbraw/zinc/41/83/73/519418373.db2.gz YTYUYYMJKYIANS-MRXNPFEDSA-N -1 3 357.410 2.807 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[n-]1 ZINC000591077980 519502308 /nfs/dbraw/zinc/50/23/08/519502308.db2.gz XNLIZTWUSODQBC-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c[n-]1 ZINC000591077980 519502311 /nfs/dbraw/zinc/50/23/11/519502311.db2.gz XNLIZTWUSODQBC-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594485644 519994574 /nfs/dbraw/zinc/99/45/74/519994574.db2.gz BDDARYWMUXCWNK-UONOGXRCSA-N -1 3 356.444 2.838 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000594484872 519994803 /nfs/dbraw/zinc/99/48/03/519994803.db2.gz WLDZUALZSZYCNI-CHWSQXEVSA-N -1 3 373.862 2.543 20 5 FFBDHM COc1cc(CN(CC(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000594526826 520015352 /nfs/dbraw/zinc/01/53/52/520015352.db2.gz FDUDZBIFNHLLOZ-UHFFFAOYSA-N -1 3 360.313 2.644 20 5 FFBDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594858618 520194004 /nfs/dbraw/zinc/19/40/04/520194004.db2.gz UAPODSRCNAURKF-LLVKDONJSA-N -1 3 354.762 2.962 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2C)[nH][n-]1 ZINC000609201737 520230060 /nfs/dbraw/zinc/23/00/60/520230060.db2.gz VHELEMGCADZMPO-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc([N+](=O)[O-])o2)[n-]1 ZINC000616915011 520233169 /nfs/dbraw/zinc/23/31/69/520233169.db2.gz BJCMFRWGRUBOKW-UHFFFAOYSA-N -1 3 350.331 2.683 20 5 FFBDHM CCCCc1nc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C(=O)OCC)[n-]1 ZINC000616915011 520233176 /nfs/dbraw/zinc/23/31/76/520233176.db2.gz BJCMFRWGRUBOKW-UHFFFAOYSA-N -1 3 350.331 2.683 20 5 FFBDHM COC(=O)c1ccc(OC)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000609448757 520316038 /nfs/dbraw/zinc/31/60/38/520316038.db2.gz WGWOKLLZPBZLRQ-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1cc(C)cc(C)c1 ZINC000610136295 520555844 /nfs/dbraw/zinc/55/58/44/520555844.db2.gz RLLJVKLWXARESR-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000596092627 520907474 /nfs/dbraw/zinc/90/74/74/520907474.db2.gz DCQNYAITEDJJKU-JTQLQIEISA-N -1 3 350.325 2.912 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000596166229 520946803 /nfs/dbraw/zinc/94/68/03/520946803.db2.gz RYPHPCNHOYFKGA-JTQLQIEISA-N -1 3 371.315 2.977 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c1[N+](=O)[O-] ZINC000593633013 521121698 /nfs/dbraw/zinc/12/16/98/521121698.db2.gz ZTICQMGKBVOAIW-HNNXBMFYSA-N -1 3 368.455 2.695 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(=O)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000599472534 521244932 /nfs/dbraw/zinc/24/49/32/521244932.db2.gz IQECYIUYYMXONS-UHFFFAOYSA-N -1 3 354.428 2.639 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1COc2cc(F)cc(F)c21 ZINC000612172723 521519493 /nfs/dbraw/zinc/51/94/93/521519493.db2.gz HLOLQHYZTDCLCI-LLVKDONJSA-N -1 3 370.333 2.593 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000619479423 521590496 /nfs/dbraw/zinc/59/04/96/521590496.db2.gz FKQMCQGTTLQFEP-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(C)cc21 ZINC000619482276 521591803 /nfs/dbraw/zinc/59/18/03/521591803.db2.gz KAUITZIHZCRWSB-CQSZACIVSA-N -1 3 362.407 2.878 20 5 FFBDHM COCc1ncc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)s1 ZINC000493326094 561455587 /nfs/dbraw/zinc/45/55/87/561455587.db2.gz ZYOPOIMKNGRLLD-UHFFFAOYSA-N -1 3 359.367 2.840 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000473852412 561059172 /nfs/dbraw/zinc/05/91/72/561059172.db2.gz FHOOMSYOYSBVAX-OAHLLOKOSA-N -1 3 357.370 2.996 20 5 FFBDHM O=[N+]([O-])c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000738359793 599047518 /nfs/dbraw/zinc/04/75/18/599047518.db2.gz NROUIGVGCOLWAX-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM O=[N+]([O-])c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000738359793 599047520 /nfs/dbraw/zinc/04/75/20/599047520.db2.gz NROUIGVGCOLWAX-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM Cc1cccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822326737 599057076 /nfs/dbraw/zinc/05/70/76/599057076.db2.gz ACWBGXIWYQECTG-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1cccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822326737 599057078 /nfs/dbraw/zinc/05/70/78/599057078.db2.gz ACWBGXIWYQECTG-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820274905 599059251 /nfs/dbraw/zinc/05/92/51/599059251.db2.gz LYJNXIWJVTYMQI-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820274905 599059253 /nfs/dbraw/zinc/05/92/53/599059253.db2.gz LYJNXIWJVTYMQI-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736194255 599110768 /nfs/dbraw/zinc/11/07/68/599110768.db2.gz YQKKKTCQAQQKRH-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736194255 599110771 /nfs/dbraw/zinc/11/07/71/599110771.db2.gz YQKKKTCQAQQKRH-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OCC ZINC000821422094 599190165 /nfs/dbraw/zinc/19/01/65/599190165.db2.gz NBULIZUMLLNGQQ-UHFFFAOYSA-N -1 3 371.357 2.711 20 5 FFBDHM CCOc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OCC ZINC000821422094 599190168 /nfs/dbraw/zinc/19/01/68/599190168.db2.gz NBULIZUMLLNGQQ-UHFFFAOYSA-N -1 3 371.357 2.711 20 5 FFBDHM CC(C)OCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735903419 598499021 /nfs/dbraw/zinc/49/90/21/598499021.db2.gz DWEPDWCNVDNRBF-UHFFFAOYSA-N -1 3 355.358 2.839 20 5 FFBDHM CC(C)OCc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735903419 598499022 /nfs/dbraw/zinc/49/90/22/598499022.db2.gz DWEPDWCNVDNRBF-UHFFFAOYSA-N -1 3 355.358 2.839 20 5 FFBDHM CCN1CCc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc21 ZINC000736569778 598550756 /nfs/dbraw/zinc/55/07/56/598550756.db2.gz TVXDLJVLLRKWIX-UHFFFAOYSA-N -1 3 351.370 2.901 20 5 FFBDHM CCN1CCc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc21 ZINC000736569778 598550757 /nfs/dbraw/zinc/55/07/57/598550757.db2.gz TVXDLJVLLRKWIX-UHFFFAOYSA-N -1 3 351.370 2.901 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000738165957 598592592 /nfs/dbraw/zinc/59/25/92/598592592.db2.gz IQZZPFSOZPAPBC-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000738165957 598592594 /nfs/dbraw/zinc/59/25/94/598592594.db2.gz IQZZPFSOZPAPBC-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738167209 598658596 /nfs/dbraw/zinc/65/85/96/598658596.db2.gz PDWNJUZLGKCBHA-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738167209 598658597 /nfs/dbraw/zinc/65/85/97/598658597.db2.gz PDWNJUZLGKCBHA-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM COC(=O)CCc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000736919655 598797261 /nfs/dbraw/zinc/79/72/61/598797261.db2.gz VIWRUOQSLGOIBM-UHFFFAOYSA-N -1 3 368.353 2.624 20 5 FFBDHM COC(=O)CCc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000736919655 598797264 /nfs/dbraw/zinc/79/72/64/598797264.db2.gz VIWRUOQSLGOIBM-UHFFFAOYSA-N -1 3 368.353 2.624 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccccc2OC2CCC2)c(-c2nnn[n-]2)c1 ZINC000738373736 599306309 /nfs/dbraw/zinc/30/63/09/599306309.db2.gz GKTUXWDNNBPRNE-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccccc2OC2CCC2)c(-c2nn[n-]n2)c1 ZINC000738373736 599306312 /nfs/dbraw/zinc/30/63/12/599306312.db2.gz GKTUXWDNNBPRNE-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000736634600 599327437 /nfs/dbraw/zinc/32/74/37/599327437.db2.gz NIFDWCODAKMRFB-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000736634600 599327439 /nfs/dbraw/zinc/32/74/39/599327439.db2.gz NIFDWCODAKMRFB-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CC(C)[C@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820038491 599494489 /nfs/dbraw/zinc/49/44/89/599494489.db2.gz OLBCETPRUZYHGC-OAHLLOKOSA-N -1 3 353.386 2.948 20 5 FFBDHM CC(C)[C@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820038491 599494491 /nfs/dbraw/zinc/49/44/91/599494491.db2.gz OLBCETPRUZYHGC-OAHLLOKOSA-N -1 3 353.386 2.948 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC000738367244 599531252 /nfs/dbraw/zinc/53/12/52/599531252.db2.gz OIPJDXVEGGPRMC-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC000738367244 599531254 /nfs/dbraw/zinc/53/12/54/599531254.db2.gz OIPJDXVEGGPRMC-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=C(C=Cc1ccco1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403444 607525300 /nfs/dbraw/zinc/52/53/00/607525300.db2.gz SDXVKUNULAGJTM-ONEGZZNKSA-N -1 3 360.717 2.673 20 5 FFBDHM O=C(C=Cc1ccco1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403444 607525301 /nfs/dbraw/zinc/52/53/01/607525301.db2.gz SDXVKUNULAGJTM-ONEGZZNKSA-N -1 3 360.717 2.673 20 5 FFBDHM CCN(CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000827098603 603511304 /nfs/dbraw/zinc/51/13/04/603511304.db2.gz DMARJWLUJCFSHQ-UHFFFAOYSA-N -1 3 351.403 2.686 20 5 FFBDHM Cc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000822205780 606035475 /nfs/dbraw/zinc/03/54/75/606035475.db2.gz IHNCHXKLLZXCCY-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM Cc1cc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000822205780 606035481 /nfs/dbraw/zinc/03/54/81/606035481.db2.gz IHNCHXKLLZXCCY-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821476060 606131063 /nfs/dbraw/zinc/13/10/63/606131063.db2.gz FUTNUDZSNALEPQ-UHFFFAOYSA-N -1 3 353.338 2.694 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821476060 606131064 /nfs/dbraw/zinc/13/10/64/606131064.db2.gz FUTNUDZSNALEPQ-UHFFFAOYSA-N -1 3 353.338 2.694 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821427612 606158141 /nfs/dbraw/zinc/15/81/41/606158141.db2.gz WXUZEMCNFLEWSZ-UHFFFAOYSA-N -1 3 368.397 2.806 20 5 FFBDHM CN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821616661 606164509 /nfs/dbraw/zinc/16/45/09/606164509.db2.gz AZTQJWRFWGYCGU-UHFFFAOYSA-N -1 3 371.426 2.747 20 5 FFBDHM CN(Cc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821616661 606164511 /nfs/dbraw/zinc/16/45/11/606164511.db2.gz AZTQJWRFWGYCGU-UHFFFAOYSA-N -1 3 371.426 2.747 20 5 FFBDHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987710 606437906 /nfs/dbraw/zinc/43/79/06/606437906.db2.gz HQZDNJRLMYRNJA-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000819987710 606437908 /nfs/dbraw/zinc/43/79/08/606437908.db2.gz HQZDNJRLMYRNJA-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM O=[N+]([O-])c1ccccc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823646939 606481781 /nfs/dbraw/zinc/48/17/81/606481781.db2.gz DMOWRLGDYNMAFC-UHFFFAOYSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1ccccc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823646939 606481782 /nfs/dbraw/zinc/48/17/82/606481782.db2.gz DMOWRLGDYNMAFC-UHFFFAOYSA-N -1 3 365.397 2.856 20 5 FFBDHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820384292 606671639 /nfs/dbraw/zinc/67/16/39/606671639.db2.gz ASHSIMBEHOTXCS-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820384292 606671640 /nfs/dbraw/zinc/67/16/40/606671640.db2.gz ASHSIMBEHOTXCS-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nnn[n-]1 ZINC000823070960 606806348 /nfs/dbraw/zinc/80/63/48/606806348.db2.gz VBHIYUSJPBUOIK-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nn[n-]n1 ZINC000823070960 606806350 /nfs/dbraw/zinc/80/63/50/606806350.db2.gz VBHIYUSJPBUOIK-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3cc(F)ccc3-c3nnn[n-]3)c2)cc1 ZINC000823634830 607028678 /nfs/dbraw/zinc/02/86/78/607028678.db2.gz MWFUDRNEFVBIOI-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3cc(F)ccc3-c3nn[n-]n3)c2)cc1 ZINC000823634830 607028680 /nfs/dbraw/zinc/02/86/80/607028680.db2.gz MWFUDRNEFVBIOI-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823449781 607247436 /nfs/dbraw/zinc/24/74/36/607247436.db2.gz CIVLPBCWOJJMKC-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823449781 607247437 /nfs/dbraw/zinc/24/74/37/607247437.db2.gz CIVLPBCWOJJMKC-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=[N+]([O-])c1cc(NCc2ccc(-n3ccnc3)cc2)ccc1-c1nnn[n-]1 ZINC000826498506 607842501 /nfs/dbraw/zinc/84/25/01/607842501.db2.gz YBWOTLVVQCCPEG-UHFFFAOYSA-N -1 3 362.353 2.573 20 5 FFBDHM O=[N+]([O-])c1cc(NCc2ccc(-n3ccnc3)cc2)ccc1-c1nn[n-]n1 ZINC000826498506 607842502 /nfs/dbraw/zinc/84/25/02/607842502.db2.gz YBWOTLVVQCCPEG-UHFFFAOYSA-N -1 3 362.353 2.573 20 5 FFBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826470376 608121730 /nfs/dbraw/zinc/12/17/30/608121730.db2.gz NTDRWZHFXLDKIY-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826470376 608121731 /nfs/dbraw/zinc/12/17/31/608121731.db2.gz NTDRWZHFXLDKIY-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826461498 608122996 /nfs/dbraw/zinc/12/29/96/608122996.db2.gz XJCQTFUWGPRPPH-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826461498 608122997 /nfs/dbraw/zinc/12/29/97/608122997.db2.gz XJCQTFUWGPRPPH-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM CCC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000825164997 608160955 /nfs/dbraw/zinc/16/09/55/608160955.db2.gz PKXQDEAUUVSMFY-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM CCC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCC1 ZINC000825164997 608160956 /nfs/dbraw/zinc/16/09/56/608160956.db2.gz PKXQDEAUUVSMFY-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM CC[C@@H](SC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825159151 608161329 /nfs/dbraw/zinc/16/13/29/608161329.db2.gz KCVPPENWSJVYEL-SECBINFHSA-N -1 3 356.795 2.508 20 5 FFBDHM CC[C@@H](SC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825159151 608161332 /nfs/dbraw/zinc/16/13/32/608161332.db2.gz KCVPPENWSJVYEL-SECBINFHSA-N -1 3 356.795 2.508 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826211727 608182414 /nfs/dbraw/zinc/18/24/14/608182414.db2.gz RPMJXFKCWHJQJK-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826211727 608182416 /nfs/dbraw/zinc/18/24/16/608182416.db2.gz RPMJXFKCWHJQJK-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000824963087 608303157 /nfs/dbraw/zinc/30/31/57/608303157.db2.gz ZJBKLZGVXUVYQW-GHMZBOCLSA-N -1 3 353.386 2.805 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000824963087 608303159 /nfs/dbraw/zinc/30/31/59/608303159.db2.gz ZJBKLZGVXUVYQW-GHMZBOCLSA-N -1 3 353.386 2.805 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000826273213 608385059 /nfs/dbraw/zinc/38/50/59/608385059.db2.gz UOFNFYFQLCGJTP-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000826273213 608385061 /nfs/dbraw/zinc/38/50/61/608385061.db2.gz UOFNFYFQLCGJTP-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826293467 608573483 /nfs/dbraw/zinc/57/34/83/608573483.db2.gz QJFWVPGUEPOVBF-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826293467 608573485 /nfs/dbraw/zinc/57/34/85/608573485.db2.gz QJFWVPGUEPOVBF-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(Cl)cnc(NCCc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826240074 609582976 /nfs/dbraw/zinc/58/29/76/609582976.db2.gz AKVGQZRTYWZRGI-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM Cc1c(Cl)cnc(NCCc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826240074 609582977 /nfs/dbraw/zinc/58/29/77/609582977.db2.gz AKVGQZRTYWZRGI-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000158077594 728881971 /nfs/dbraw/zinc/88/19/71/728881971.db2.gz CTCYUROKPXCLEY-UHFFFAOYSA-N -1 3 371.212 2.836 20 5 FFBDHM CC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173061501 729038806 /nfs/dbraw/zinc/03/88/06/729038806.db2.gz HDSQBSLMYDNIAS-UHFFFAOYSA-N -1 3 351.222 2.682 20 5 FFBDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000780760706 738574564 /nfs/dbraw/zinc/57/45/64/738574564.db2.gz XWGIADVWFBHNCL-UHFFFAOYSA-N -1 3 371.440 2.527 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)nc1 ZINC000917920527 737784192 /nfs/dbraw/zinc/78/41/92/737784192.db2.gz RDNXHXRHGRUQSK-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000931312323 739242664 /nfs/dbraw/zinc/24/26/64/739242664.db2.gz RYFAOZJDRUFILN-UHFFFAOYSA-N -1 3 365.187 2.677 20 5 FFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000830147873 745314962 /nfs/dbraw/zinc/31/49/62/745314962.db2.gz HOVHGWPPNGOCMR-GFCCVEGCSA-N -1 3 357.432 2.583 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837327990 746424016 /nfs/dbraw/zinc/42/40/16/746424016.db2.gz CJVJWPIIKANHFG-UHFFFAOYSA-N -1 3 361.379 2.803 20 5 FFBDHM Cc1nc(C)c(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)s1 ZINC000848584265 748966282 /nfs/dbraw/zinc/96/62/82/748966282.db2.gz SCLYUIXXUMICIU-UHFFFAOYSA-N -1 3 357.338 2.956 20 5 FFBDHM Cc1nc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)sc1C ZINC000848587876 748967123 /nfs/dbraw/zinc/96/71/23/748967123.db2.gz LZOVPABATMYHHF-UHFFFAOYSA-N -1 3 357.338 2.956 20 5 FFBDHM CN(Cc1ccco1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736829230 944897649 /nfs/dbraw/zinc/89/76/49/944897649.db2.gz XVPWOJDZKHSPDM-UHFFFAOYSA-N -1 3 351.326 2.553 20 5 FFBDHM CN(Cc1ccco1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736829230 944897655 /nfs/dbraw/zinc/89/76/55/944897655.db2.gz XVPWOJDZKHSPDM-UHFFFAOYSA-N -1 3 351.326 2.553 20 5 FFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001575516582 949210737 /nfs/dbraw/zinc/21/07/37/949210737.db2.gz PYUJVGFTLWZITL-VIFPVBQESA-N -1 3 371.426 2.538 20 5 FFBDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000125810801 989006163 /nfs/dbraw/zinc/00/61/63/989006163.db2.gz JBRNCOARFPHTBO-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM COc1cccc2c(C(=O)OCCOc3cccc([N+](=O)[O-])c3)n[n-]c21 ZINC000808676593 994219577 /nfs/dbraw/zinc/21/95/77/994219577.db2.gz GTDVSIVSXWLGAG-UHFFFAOYSA-N -1 3 357.322 2.716 20 5 FFBDHM COc1cccc2c(C(=O)OCCOc3cccc([N+](=O)[O-])c3)[n-]nc21 ZINC000808676593 994219591 /nfs/dbraw/zinc/21/95/91/994219591.db2.gz GTDVSIVSXWLGAG-UHFFFAOYSA-N -1 3 357.322 2.716 20 5 FFBDHM COc1cc(CN(C)C)ccc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599405733 997294605 /nfs/dbraw/zinc/29/46/05/997294605.db2.gz INZPNYRWCKPIRJ-UHFFFAOYSA-N -1 3 373.365 2.616 20 5 FFBDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001186419957 1003315637 /nfs/dbraw/zinc/31/56/37/1003315637.db2.gz GOGLBXLYKMJEFT-UHFFFAOYSA-N -1 3 370.452 2.884 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000853698005 1006509213 /nfs/dbraw/zinc/50/92/13/1006509213.db2.gz XNJYQIWRUAYKOE-UHFFFAOYSA-N -1 3 364.402 2.675 20 5 FFBDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])n1 ZINC001189032209 1006861007 /nfs/dbraw/zinc/86/10/07/1006861007.db2.gz UMOGXXACFIOIRZ-SSDOTTSWSA-N -1 3 361.470 2.812 20 5 FFBDHM C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183361 1009272686 /nfs/dbraw/zinc/27/26/86/1009272686.db2.gz RLJDCIUUILESJL-BKDNQFJXSA-N -1 3 369.303 2.713 20 5 FFBDHM COc1ccc(COC(=O)c2cc(OC)c([O-])c(OC)c2)cc1[N+](=O)[O-] ZINC000754277174 1023449294 /nfs/dbraw/zinc/44/92/94/1023449294.db2.gz QPPZZKRHUYAVOQ-UHFFFAOYSA-N -1 3 363.322 2.683 20 5 FFBDHM COc1cc(OC[C@H]2C[C@@H](O)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001218432272 1033152795 /nfs/dbraw/zinc/15/27/95/1033152795.db2.gz LUFPQAOKUAHQAL-AOOOYVTPSA-N -1 3 358.346 2.516 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000757668548 1023845474 /nfs/dbraw/zinc/84/54/74/1023845474.db2.gz VYPFCSCZOYOWFI-UHFFFAOYSA-N -1 3 363.257 2.681 20 5 FFBDHM O=C(c1ccccc1)c1ccc(SCCc2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001163551378 1028966419 /nfs/dbraw/zinc/96/64/19/1028966419.db2.gz UGTBANWDYWQGOA-UHFFFAOYSA-N -1 3 355.379 2.674 20 5 FFBDHM O=C(c1ccccc1)c1ccc(SCCc2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001163551378 1028966438 /nfs/dbraw/zinc/96/64/38/1028966438.db2.gz UGTBANWDYWQGOA-UHFFFAOYSA-N -1 3 355.379 2.674 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCC(Nc3ncc(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC001164243642 1029215818 /nfs/dbraw/zinc/21/58/18/1029215818.db2.gz YSFZLJFPLPMSKD-UHFFFAOYSA-N -1 3 364.793 2.528 20 5 FFBDHM C/C=C\C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC001138130599 1033817141 /nfs/dbraw/zinc/81/71/41/1033817141.db2.gz BAUWNFXBIPQTAM-HSBHDXMMSA-N -1 3 356.325 2.701 20 5 FFBDHM CCCc1cc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)[n-]c(=S)n1 ZINC001227423107 1035547007 /nfs/dbraw/zinc/54/70/07/1035547007.db2.gz VQKFTZWWJCQDNF-AWEZNQCLSA-N -1 3 363.395 2.843 20 5 FFBDHM COc1cc(O[C@@H]2CCCOC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227644936 1035653873 /nfs/dbraw/zinc/65/38/73/1035653873.db2.gz CWYVXDZRNLXOHA-SNVBAGLBSA-N -1 3 358.346 2.924 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228624305 1036213684 /nfs/dbraw/zinc/21/36/84/1036213684.db2.gz ZDODOFVHLGDHQG-SNVBAGLBSA-N -1 3 359.338 2.688 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(Cc3cccnc3)n2)c1 ZINC001320975311 1045505479 /nfs/dbraw/zinc/50/54/79/1045505479.db2.gz FXYYOHFADYOLQR-UHFFFAOYSA-N -1 3 370.394 2.604 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)F)cc1Br ZINC001339859912 1050277424 /nfs/dbraw/zinc/27/74/24/1050277424.db2.gz RBBCENKUGCLERW-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM COc1c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cccc1[N+](=O)[O-] ZINC001304819653 1051720211 /nfs/dbraw/zinc/72/02/11/1051720211.db2.gz LEKJSZBUVNBQDL-HAQNSBGRSA-N -1 3 372.381 2.555 20 5 FFBDHM O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1cc2c(cc1[O-])OCO2 ZINC001306865179 1052205062 /nfs/dbraw/zinc/20/50/62/1052205062.db2.gz HEBHAQGQKSCPEW-UHFFFAOYSA-N -1 3 368.305 2.672 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)c([N+](=O)[O-])s1 ZINC001309182156 1052569478 /nfs/dbraw/zinc/56/94/78/1052569478.db2.gz RCBDXHPMLRPXDZ-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM NC(=O)c1cc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])cs1 ZINC001544540089 1071657707 /nfs/dbraw/zinc/65/77/07/1071657707.db2.gz ZQIYCCUIUXWVAA-UHFFFAOYSA-N -1 3 370.184 2.770 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)COc2ccccc2)c([N+](=O)[O-])s1 ZINC001462966959 1061870550 /nfs/dbraw/zinc/87/05/50/1061870550.db2.gz NCRAYNWTUJBITL-SNVBAGLBSA-N -1 3 356.425 2.711 20 5 FFBDHM CSc1c(F)cccc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001437593313 1062886074 /nfs/dbraw/zinc/88/60/74/1062886074.db2.gz YGEVVGGHEGJJJV-UHFFFAOYSA-N -1 3 374.357 2.684 20 5 FFBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cnn1-c1ccc(F)cc1F ZINC001472819720 1065151778 /nfs/dbraw/zinc/15/17/78/1065151778.db2.gz PIJDSGWZYOXKMI-UHFFFAOYSA-N -1 3 374.307 2.605 20 5 FFBDHM COCCn1ncc2ccc(NCc3cc(OC)c([O-])cc3[N+](=O)[O-])cc21 ZINC001474060544 1065448635 /nfs/dbraw/zinc/44/86/35/1065448635.db2.gz NLJAEYPKIYBLEJ-UHFFFAOYSA-N -1 3 372.381 2.917 20 5 FFBDHM CCNC(=O)Oc1cccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001578238166 1078453551 /nfs/dbraw/zinc/45/35/51/1078453551.db2.gz GYAVRKSRKBBBMP-UHFFFAOYSA-N -1 3 370.325 2.676 20 5 FFBDHM CCNC(=O)Oc1cccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001578238166 1078453554 /nfs/dbraw/zinc/45/35/54/1078453554.db2.gz GYAVRKSRKBBBMP-UHFFFAOYSA-N -1 3 370.325 2.676 20 5 FFBDHM COC(=O)[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001579433666 1078628949 /nfs/dbraw/zinc/62/89/49/1078628949.db2.gz MBHZMAUJYAYKSZ-CYBMUJFWSA-N -1 3 374.401 2.556 20 5 FFBDHM COC(=O)[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001579433666 1078628951 /nfs/dbraw/zinc/62/89/51/1078628951.db2.gz MBHZMAUJYAYKSZ-CYBMUJFWSA-N -1 3 374.401 2.556 20 5 FFBDHM COCc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC001579825750 1078692274 /nfs/dbraw/zinc/69/22/74/1078692274.db2.gz DLJGEKVFPBQXAX-UHFFFAOYSA-N -1 3 372.360 2.981 20 5 FFBDHM COCc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC001579825750 1078692279 /nfs/dbraw/zinc/69/22/79/1078692279.db2.gz DLJGEKVFPBQXAX-UHFFFAOYSA-N -1 3 372.360 2.981 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001579882834 1078706558 /nfs/dbraw/zinc/70/65/58/1078706558.db2.gz QHQUXOFDSHJLIE-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001579882834 1078706562 /nfs/dbraw/zinc/70/65/62/1078706562.db2.gz QHQUXOFDSHJLIE-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001580904326 1078889469 /nfs/dbraw/zinc/88/94/69/1078889469.db2.gz NJMPRKCJDCPKRU-UHFFFAOYSA-N -1 3 366.381 2.664 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001580904326 1078889473 /nfs/dbraw/zinc/88/94/73/1078889473.db2.gz NJMPRKCJDCPKRU-UHFFFAOYSA-N -1 3 366.381 2.664 20 5 FFBDHM Cc1ccc2oc(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2c1 ZINC001581216259 1078941839 /nfs/dbraw/zinc/94/18/39/1078941839.db2.gz HVCPDEQDAZQWBZ-UHFFFAOYSA-N -1 3 351.326 2.837 20 5 FFBDHM Cc1ccc2oc(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2c1 ZINC001581216259 1078941846 /nfs/dbraw/zinc/94/18/46/1078941846.db2.gz HVCPDEQDAZQWBZ-UHFFFAOYSA-N -1 3 351.326 2.837 20 5 FFBDHM Cc1nc2c(s1)[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CCC2 ZINC001581531682 1078976885 /nfs/dbraw/zinc/97/68/85/1078976885.db2.gz BSRVXOZAFMTCEY-JTQLQIEISA-N -1 3 372.414 2.612 20 5 FFBDHM Cc1nc2c(s1)[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CCC2 ZINC001581531682 1078976889 /nfs/dbraw/zinc/97/68/89/1078976889.db2.gz BSRVXOZAFMTCEY-JTQLQIEISA-N -1 3 372.414 2.612 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N[C@@H]1CCc2cc(Cl)ccc21 ZINC001582803401 1079108415 /nfs/dbraw/zinc/10/84/15/1079108415.db2.gz GANRLMVFQYYIJC-GFCCVEGCSA-N -1 3 357.761 2.923 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N[C@@H]1CCc2cc(Cl)ccc21 ZINC001582803401 1079108419 /nfs/dbraw/zinc/10/84/19/1079108419.db2.gz GANRLMVFQYYIJC-GFCCVEGCSA-N -1 3 357.761 2.923 20 5 FFBDHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[n-]n1 ZINC001557149082 1075814241 /nfs/dbraw/zinc/81/42/41/1075814241.db2.gz PRIJWFJOOZPZQK-UHFFFAOYSA-N -1 3 364.333 2.594 20 5 FFBDHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])n[n-]1 ZINC001557149082 1075814242 /nfs/dbraw/zinc/81/42/42/1075814242.db2.gz PRIJWFJOOZPZQK-UHFFFAOYSA-N -1 3 364.333 2.594 20 5 FFBDHM Cc1cc(Cl)c(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001557791770 1075892182 /nfs/dbraw/zinc/89/21/82/1075892182.db2.gz TUNLIDJUUQFBRQ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(Cl)c(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001557791770 1075892188 /nfs/dbraw/zinc/89/21/88/1075892188.db2.gz TUNLIDJUUQFBRQ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=c1cc([C@@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001559227304 1076137150 /nfs/dbraw/zinc/13/71/50/1076137150.db2.gz LAESIWUITZWNRG-MRVPVSSYSA-N -1 3 353.176 2.780 20 5 FFBDHM COc1c([O-])ccc(CNc2cccc([C@H]3CCC(=O)N3)c2)c1[N+](=O)[O-] ZINC001560888590 1076306684 /nfs/dbraw/zinc/30/66/84/1076306684.db2.gz GYAYROSCLXCLLX-CQSZACIVSA-N -1 3 357.366 2.872 20 5 FFBDHM Cc1cnc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001561847119 1076433418 /nfs/dbraw/zinc/43/34/18/1076433418.db2.gz KLSQLYVYERYHGD-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM CC(C)(C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001570109347 1077183179 /nfs/dbraw/zinc/18/31/79/1077183179.db2.gz RZFPZIJOEPUSCY-UHFFFAOYSA-N -1 3 366.381 2.615 20 5 FFBDHM CC(C)(C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001570109347 1077183182 /nfs/dbraw/zinc/18/31/82/1077183182.db2.gz RZFPZIJOEPUSCY-UHFFFAOYSA-N -1 3 366.381 2.615 20 5 FFBDHM CC(C)(NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001573919397 1077847495 /nfs/dbraw/zinc/84/74/95/1077847495.db2.gz BXIXCOAZHNUARU-UHFFFAOYSA-N -1 3 370.344 2.579 20 5 FFBDHM CC(C)(NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001573919397 1077847502 /nfs/dbraw/zinc/84/75/02/1077847502.db2.gz BXIXCOAZHNUARU-UHFFFAOYSA-N -1 3 370.344 2.579 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589011859 1080302920 /nfs/dbraw/zinc/30/29/20/1080302920.db2.gz PBDBAQKQWYDCGN-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589011859 1080302926 /nfs/dbraw/zinc/30/29/26/1080302926.db2.gz PBDBAQKQWYDCGN-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM CC(C)(C)c1csc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001589235911 1080437266 /nfs/dbraw/zinc/43/72/66/1080437266.db2.gz OPNBFYQLUIAMFF-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CC(C)(C)c1csc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001589235911 1080437269 /nfs/dbraw/zinc/43/72/69/1080437269.db2.gz OPNBFYQLUIAMFF-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CC(C)(NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nnn[n-]2)c1 ZINC001589318813 1080480713 /nfs/dbraw/zinc/48/07/13/1080480713.db2.gz BNGWSWTVRGUOGN-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)(NC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-c2nn[n-]n2)c1 ZINC001589318813 1080480717 /nfs/dbraw/zinc/48/07/17/1080480717.db2.gz BNGWSWTVRGUOGN-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)(O)COc1ccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001589338949 1080489020 /nfs/dbraw/zinc/48/90/20/1080489020.db2.gz PFCAUXCGMOGYLK-UHFFFAOYSA-N -1 3 370.369 2.668 20 5 FFBDHM CC(C)(O)COc1ccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001589338949 1080489023 /nfs/dbraw/zinc/48/90/23/1080489023.db2.gz PFCAUXCGMOGYLK-UHFFFAOYSA-N -1 3 370.369 2.668 20 5 FFBDHM CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1cccnc1 ZINC001589457036 1080543318 /nfs/dbraw/zinc/54/33/18/1080543318.db2.gz PDQDLYLIMURHIV-LBPRGKRZSA-N -1 3 368.401 2.604 20 5 FFBDHM CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1cccnc1 ZINC001589457036 1080543321 /nfs/dbraw/zinc/54/33/21/1080543321.db2.gz PDQDLYLIMURHIV-LBPRGKRZSA-N -1 3 368.401 2.604 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC001589978267 1080917027 /nfs/dbraw/zinc/91/70/27/1080917027.db2.gz LDUTWKJITOPSHA-SECBINFHSA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC001589978267 1080917031 /nfs/dbraw/zinc/91/70/31/1080917031.db2.gz LDUTWKJITOPSHA-SECBINFHSA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001590033308 1080959089 /nfs/dbraw/zinc/95/90/89/1080959089.db2.gz RZPOYUPLQURFJL-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001590033308 1080959092 /nfs/dbraw/zinc/95/90/92/1080959092.db2.gz RZPOYUPLQURFJL-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c2ccccc21 ZINC001590107973 1081018575 /nfs/dbraw/zinc/01/85/75/1081018575.db2.gz LJFUEHDVFAGSSE-UHFFFAOYSA-N -1 3 351.370 2.786 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c2ccccc21 ZINC001590107973 1081018581 /nfs/dbraw/zinc/01/85/81/1081018581.db2.gz LJFUEHDVFAGSSE-UHFFFAOYSA-N -1 3 351.370 2.786 20 5 FFBDHM CC1(C)Cc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2C(=O)C1 ZINC000274900331 255933684 /nfs/dbraw/zinc/93/36/84/255933684.db2.gz PJEXJPCZPVMUBJ-UHFFFAOYSA-N -1 3 362.367 2.559 20 5 FFBDHM O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1[N-]c1cc2n(n1)CCCC2 ZINC000286302835 257030121 /nfs/dbraw/zinc/03/01/21/257030121.db2.gz HNNOPZGEGBEKTO-UHFFFAOYSA-N -1 3 372.353 2.868 20 5 FFBDHM Cc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000291002281 257372204 /nfs/dbraw/zinc/37/22/04/257372204.db2.gz AXTSXOWPYCYTLZ-CYBMUJFWSA-N -1 3 359.348 2.794 20 5 FFBDHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000331142402 258178388 /nfs/dbraw/zinc/17/83/88/258178388.db2.gz FMUNDRSDWDURFB-AAEUAGOBSA-N -1 3 374.484 2.946 20 5 FFBDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000331209639 258179720 /nfs/dbraw/zinc/17/97/20/258179720.db2.gz QOTXDYKBCQZJAN-OCCSQVGLSA-N -1 3 374.484 2.946 20 5 FFBDHM O=C([N-]c1nncn1-c1cccnc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000377162908 512147014 /nfs/dbraw/zinc/14/70/14/512147014.db2.gz OHTBWCRNEKZVFB-UHFFFAOYSA-N -1 3 350.294 2.569 20 5 FFBDHM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000033067092 506332624 /nfs/dbraw/zinc/33/26/24/506332624.db2.gz XZGUKTDVUQEOBH-UHFFFAOYSA-N -1 3 351.322 2.608 20 5 FFBDHM Cc1nc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cs1 ZINC000042114407 506598903 /nfs/dbraw/zinc/59/89/03/506598903.db2.gz LBAALGBSDVYMFK-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C)cc1C ZINC000056105105 506935119 /nfs/dbraw/zinc/93/51/19/506935119.db2.gz AGIVILURFAAWKW-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000047280412 507300070 /nfs/dbraw/zinc/30/00/70/507300070.db2.gz OWJSYKNTFYAQMP-UHFFFAOYSA-N -1 3 359.363 2.728 20 5 FFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000026254514 507572343 /nfs/dbraw/zinc/57/23/43/507572343.db2.gz SLUMYQUBCKKYEF-UHFFFAOYSA-N -1 3 370.291 2.584 20 5 FFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000026254514 507572348 /nfs/dbraw/zinc/57/23/48/507572348.db2.gz SLUMYQUBCKKYEF-UHFFFAOYSA-N -1 3 370.291 2.584 20 5 FFBDHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000030356822 507807340 /nfs/dbraw/zinc/80/73/40/507807340.db2.gz YBUSBHRRFMJJJL-UHFFFAOYSA-N -1 3 364.423 2.903 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000030493948 507809280 /nfs/dbraw/zinc/80/92/80/507809280.db2.gz NWXZCCSIIWAZHB-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000080282305 508061676 /nfs/dbraw/zinc/06/16/76/508061676.db2.gz PSTLEICBNUWLPK-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000111358404 508093690 /nfs/dbraw/zinc/09/36/90/508093690.db2.gz JLMPDGCJSKKPMH-ZFWWWQNUSA-N -1 3 362.407 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510646597 /nfs/dbraw/zinc/64/65/97/510646597.db2.gz IFAYCGREAYPHRC-UHFFFAOYSA-N -1 3 372.377 2.993 20 5 FFBDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn1 ZINC000295367253 511379800 /nfs/dbraw/zinc/37/98/00/511379800.db2.gz PNBYODSOAXZYBT-SNVBAGLBSA-N -1 3 372.834 2.813 20 5 FFBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)s1 ZINC000295429012 511403402 /nfs/dbraw/zinc/40/34/02/511403402.db2.gz ONNXIAXTMPCALT-UHFFFAOYSA-N -1 3 353.379 2.856 20 5 FFBDHM Cc1csc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000273978335 511678005 /nfs/dbraw/zinc/67/80/05/511678005.db2.gz QFOQNRHWSITLML-UHFFFAOYSA-N -1 3 353.425 2.717 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281135030 511733567 /nfs/dbraw/zinc/73/35/67/511733567.db2.gz DHCZARGODJDGGY-UHFFFAOYSA-N -1 3 359.348 2.794 20 5 FFBDHM O=C([N-]CC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281234958 511769245 /nfs/dbraw/zinc/76/92/45/511769245.db2.gz LGQCHLXNWBQJEE-HWKANZROSA-N -1 3 371.359 2.999 20 5 FFBDHM C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1Cc1ccccc1 ZINC000311878581 511780510 /nfs/dbraw/zinc/78/05/10/511780510.db2.gz VJBXAWBVVVONQR-CZUORRHYSA-N -1 3 355.394 2.693 20 5 FFBDHM O=C([N-]Cc1ccnc(-n2ccnc2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367942371 512733716 /nfs/dbraw/zinc/73/37/16/512733716.db2.gz OBMQULBJWAQVBP-UHFFFAOYSA-N -1 3 373.319 2.584 20 5 FFBDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000372247743 512779742 /nfs/dbraw/zinc/77/97/42/512779742.db2.gz OFROKVSLKVITDM-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000389791077 512902508 /nfs/dbraw/zinc/90/25/08/512902508.db2.gz LSZLHICIJOBBKU-SWLSCSKDSA-N -1 3 356.382 2.620 20 5 FFBDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000392634238 512926983 /nfs/dbraw/zinc/92/69/83/512926983.db2.gz BCGHYYLCXGJNGP-NEPJUHHUSA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CN1Cc1ccccc1 ZINC000398025901 512952461 /nfs/dbraw/zinc/95/24/61/512952461.db2.gz AJGGCMRIDIQFQY-HIFRSBDPSA-N -1 3 355.394 2.693 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000430009067 513526140 /nfs/dbraw/zinc/52/61/40/513526140.db2.gz BAWCVXSYIZFKGF-GXSJLCMTSA-N -1 3 350.318 2.690 20 5 FFBDHM CN(C)[C@H]1CCOc2c(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cccc21 ZINC000447727707 513553880 /nfs/dbraw/zinc/55/38/80/513553880.db2.gz KFFDHHGVLBCEEC-INIZCTEOSA-N -1 3 357.366 2.938 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2F)C1 ZINC000435585399 513626668 /nfs/dbraw/zinc/62/66/68/513626668.db2.gz UDMAZVBKYPBXJI-HAQNSBGRSA-N -1 3 350.371 2.958 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc2c(n1)CCCC2 ZINC000442580602 513739390 /nfs/dbraw/zinc/73/93/90/513739390.db2.gz YGSUEGMCTUSKBL-UHFFFAOYSA-N -1 3 363.377 2.933 20 5 FFBDHM 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BXZSWYOVTOUPJF-UHFFFAOYSA-N -1 3 366.377 2.986 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000433472809 514501214 /nfs/dbraw/zinc/50/12/14/514501214.db2.gz XNYVVYOOEUXCMD-UONOGXRCSA-N -1 3 350.371 2.877 20 5 FFBDHM Cc1cc([C@@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000453151828 514560041 /nfs/dbraw/zinc/56/00/41/514560041.db2.gz WKAZLUZDNQXFNC-GFCCVEGCSA-N -1 3 369.468 2.594 20 5 FFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000466557388 514690094 /nfs/dbraw/zinc/69/00/94/514690094.db2.gz VMZMIHMNSQCHLX-CABCVRRESA-N -1 3 374.846 2.732 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2ccccc2OC)n1 ZINC000508392164 514765707 /nfs/dbraw/zinc/76/57/07/514765707.db2.gz VRFJJHKYOXBVCF-UHFFFAOYSA-N -1 3 369.337 2.649 20 5 FFBDHM O=C(Nc1nnc(CC2CCCCC2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000508542045 514814956 /nfs/dbraw/zinc/81/49/56/514814956.db2.gz DIONXQOIFHBTEA-UHFFFAOYSA-N -1 3 363.399 2.922 20 5 FFBDHM CNc1nc(C(=O)Nc2ccc([O-])c(COC(C)C)c2)ccc1[N+](=O)[O-] ZINC000456031867 514913488 /nfs/dbraw/zinc/91/34/88/514913488.db2.gz AAYBPLCTMHRAHA-UHFFFAOYSA-N -1 3 360.370 2.914 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000467420366 515002146 /nfs/dbraw/zinc/00/21/46/515002146.db2.gz USCBCHPGXPGXOO-UHFFFAOYSA-N -1 3 374.415 2.633 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000480699839 515049645 /nfs/dbraw/zinc/04/96/45/515049645.db2.gz PJLIRYHJBRACAJ-WFASDCNBSA-N -1 3 369.487 2.610 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(F)c1 ZINC000480701905 515051915 /nfs/dbraw/zinc/05/19/15/515051915.db2.gz UUUGVFZYBVYPIJ-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)c1[N+](=O)[O-] ZINC000480746679 515068808 /nfs/dbraw/zinc/06/88/08/515068808.db2.gz GNWFBZXAGPVIFC-ZDUSSCGKSA-N -1 3 372.443 2.610 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)c1C ZINC000480984410 515160985 /nfs/dbraw/zinc/16/09/85/515160985.db2.gz IHZCCSACQWCXFA-UHFFFAOYSA-N -1 3 363.439 2.756 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000481009007 515171911 /nfs/dbraw/zinc/17/19/11/515171911.db2.gz FRIGKNOAGPTEJA-SWLSCSKDSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000481073020 515196663 /nfs/dbraw/zinc/19/66/63/515196663.db2.gz OLIQWCNVYMXDKV-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1ccccc1F ZINC000490458765 515221085 /nfs/dbraw/zinc/22/10/85/515221085.db2.gz OPOTTXSFAPJPKI-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM Cc1cccc(CCC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000509593629 515249223 /nfs/dbraw/zinc/24/92/23/515249223.db2.gz SHAFKOGFWCSRIK-UHFFFAOYSA-N -1 3 363.439 2.826 20 5 FFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000492242255 515517987 /nfs/dbraw/zinc/51/79/87/515517987.db2.gz SENVMHYRSHAOOE-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM CC[C@H](NC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(F)(F)F ZINC000459499264 515597764 /nfs/dbraw/zinc/59/77/64/515597764.db2.gz DRIPDHHVSCNWLW-NSHDSACASA-N -1 3 357.292 2.869 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC000510988084 515737888 /nfs/dbraw/zinc/73/78/88/515737888.db2.gz UICZPYRIWTXWTK-UHFFFAOYSA-N -1 3 354.428 2.851 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)[n-]c21 ZINC000494130516 515742949 /nfs/dbraw/zinc/74/29/49/515742949.db2.gz JLAFGBSJVJGWOY-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)nc21 ZINC000494130516 515742957 /nfs/dbraw/zinc/74/29/57/515742957.db2.gz JLAFGBSJVJGWOY-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM CCOc1cc([N-]C(=O)c2cn(C(C)C)nn2)c([N+](=O)[O-])cc1OCC ZINC000459894573 515876328 /nfs/dbraw/zinc/87/63/28/515876328.db2.gz FEHZXEBHOWGKIH-UHFFFAOYSA-N -1 3 363.374 2.817 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000479132228 516069196 /nfs/dbraw/zinc/06/91/96/516069196.db2.gz ISLBPIPAVBJGCI-LBPRGKRZSA-N -1 3 352.334 2.913 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479160307 516084475 /nfs/dbraw/zinc/08/44/75/516084475.db2.gz OTUAIQGYWKMWSG-LBPRGKRZSA-N -1 3 368.333 2.613 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507572076 516248310 /nfs/dbraw/zinc/24/83/10/516248310.db2.gz XZYYRJTWMPBGPH-UHFFFAOYSA-N -1 3 363.439 2.708 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000460893498 516277475 /nfs/dbraw/zinc/27/74/75/516277475.db2.gz HTQMKBWHGRGAAD-JTQLQIEISA-N -1 3 355.441 2.962 20 5 FFBDHM O=c1[n-]c(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)nc2c3ccccc3oc21 ZINC000522956781 516359143 /nfs/dbraw/zinc/35/91/43/516359143.db2.gz IJKNJQSYDVWLHJ-UHFFFAOYSA-N -1 3 372.724 2.853 20 5 FFBDHM C[C@H](Oc1ccccc1F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523163451 516401338 /nfs/dbraw/zinc/40/13/38/516401338.db2.gz MRBHFDQWBJOANL-NSHDSACASA-N -1 3 370.340 2.952 20 5 FFBDHM C[C@@]1(c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)cc2)NC(=O)[N-]C1=O ZINC000523180445 516404236 /nfs/dbraw/zinc/40/42/36/516404236.db2.gz QGWVWVXLHAUJBI-KRWDZBQOSA-N -1 3 374.784 2.915 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c(Br)c1 ZINC000557849189 516468495 /nfs/dbraw/zinc/46/84/95/516468495.db2.gz MDYIMAQQOQVKFH-YUMQZZPRSA-N -1 3 367.196 2.526 20 5 FFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000557849443 516468876 /nfs/dbraw/zinc/46/88/76/516468876.db2.gz OQQYCYZPBJRIJU-UHFFFAOYSA-N -1 3 358.460 2.943 20 5 FFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547740473 516533938 /nfs/dbraw/zinc/53/39/38/516533938.db2.gz UMOYCIPLLHTTQJ-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM CC(C)CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000535901901 516550345 /nfs/dbraw/zinc/55/03/45/516550345.db2.gz COYBVLFJANSSSY-UHFFFAOYSA-N -1 3 352.865 2.916 20 5 FFBDHM COc1cc(F)c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1F ZINC000531828472 516664463 /nfs/dbraw/zinc/66/44/63/516664463.db2.gz RSKXPIOAPZHYAA-UHFFFAOYSA-N -1 3 352.249 2.863 20 5 FFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000518914535 516818505 /nfs/dbraw/zinc/81/85/05/516818505.db2.gz KLRXXVGKWCOWBG-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)cc1C ZINC000562153110 516935267 /nfs/dbraw/zinc/93/52/67/516935267.db2.gz XSFGUTBCOMFXCJ-AWEZNQCLSA-N -1 3 356.444 2.836 20 5 FFBDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000536904412 516974830 /nfs/dbraw/zinc/97/48/30/516974830.db2.gz IJBOFXXFEMTXNS-NSHDSACASA-N -1 3 365.411 2.600 20 5 FFBDHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552053672 517052475 /nfs/dbraw/zinc/05/24/75/517052475.db2.gz RHJGTOGXMUIFAT-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000555707436 517076039 /nfs/dbraw/zinc/07/60/39/517076039.db2.gz YQBCIQMVVHMWLO-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000555707436 517076046 /nfs/dbraw/zinc/07/60/46/517076046.db2.gz YQBCIQMVVHMWLO-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM Cc1ccc([O-])c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000541515122 517087816 /nfs/dbraw/zinc/08/78/16/517087816.db2.gz WBHQSXCGUYZQSB-UHFFFAOYSA-N -1 3 356.382 2.859 20 5 FFBDHM O=C(Nc1ccccc1[O-])c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000537207643 517088757 /nfs/dbraw/zinc/08/87/57/517088757.db2.gz BNJVFMWCSKIFPX-UHFFFAOYSA-N -1 3 357.351 2.822 20 5 FFBDHM Cc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516473743 517703631 /nfs/dbraw/zinc/70/36/31/517703631.db2.gz WLNBZCWIRFLCES-OKILXGFUSA-N -1 3 365.430 2.903 20 5 FFBDHM CN(C)CCOc1ccccc1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000563205643 517733321 /nfs/dbraw/zinc/73/33/21/517733321.db2.gz AAAFUDHTRJHWLV-UHFFFAOYSA-N -1 3 373.409 2.774 20 5 FFBDHM O=C(NCCCNc1nc2c(cc1[N+](=O)[O-])CCCC2)c1cccc([O-])c1 ZINC000572634667 518287599 /nfs/dbraw/zinc/28/75/99/518287599.db2.gz COZCJILFPVTBKR-UHFFFAOYSA-N -1 3 370.409 2.806 20 5 FFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)CN1CCCC1 ZINC000576042877 518400995 /nfs/dbraw/zinc/40/09/95/518400995.db2.gz UJDOSJWKYNHTCW-UHFFFAOYSA-N -1 3 355.822 2.900 20 5 FFBDHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000584724908 518449303 /nfs/dbraw/zinc/44/93/03/518449303.db2.gz JRTHFTMPDOLNTM-RCBQFDQVSA-N -1 3 357.366 2.935 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1[n-]n(C)cc1Br ZINC000579476193 518700539 /nfs/dbraw/zinc/70/05/39/518700539.db2.gz WLCRWULOAQRIJO-UHFFFAOYSA-N -1 3 367.203 2.690 20 5 FFBDHM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000588099796 518726013 /nfs/dbraw/zinc/72/60/13/518726013.db2.gz BANABOYQUJMSSQ-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000582581516 518821756 /nfs/dbraw/zinc/82/17/56/518821756.db2.gz NZOLIQKYLRCDNN-UHFFFAOYSA-N -1 3 352.310 2.982 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2nc(C)ncc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000580507177 519207865 /nfs/dbraw/zinc/20/78/65/519207865.db2.gz HGGXALPOYAIVGX-UHFFFAOYSA-N -1 3 364.745 2.694 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000590758849 519354501 /nfs/dbraw/zinc/35/45/01/519354501.db2.gz XXYNFWDFHVMHGG-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM O=[N+]([O-])c1ccc2[nH]cc(CC[N-]S(=O)(=O)c3cccs3)c2c1 ZINC000581093232 519518832 /nfs/dbraw/zinc/51/88/32/519518832.db2.gz GEGIJQMVRTZSDM-UHFFFAOYSA-N -1 3 351.409 2.659 20 5 FFBDHM CSCc1cccnc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000584142706 519610460 /nfs/dbraw/zinc/61/04/60/519610460.db2.gz OMSWGDPGZYEFTC-UHFFFAOYSA-N -1 3 369.406 2.917 20 5 FFBDHM COc1cc(CNc2ccc3c(c2)CCN(C)C3=O)c([N+](=O)[O-])cc1[O-] ZINC000594736889 520122572 /nfs/dbraw/zinc/12/25/72/520122572.db2.gz RBVMAAPDZUEGGX-UHFFFAOYSA-N -1 3 357.366 2.549 20 5 FFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1 ZINC000608780973 520126527 /nfs/dbraw/zinc/12/65/27/520126527.db2.gz USOZSNSRJOHZDA-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM COc1cc(CNCCN2CCCc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000608782112 520126633 /nfs/dbraw/zinc/12/66/33/520126633.db2.gz OBEIKSCZRUPCTM-UHFFFAOYSA-N -1 3 357.410 2.851 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000608789308 520129655 /nfs/dbraw/zinc/12/96/55/520129655.db2.gz MGWUZMCDXJHMRA-SECBINFHSA-N -1 3 355.354 2.754 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000594778847 520151780 /nfs/dbraw/zinc/15/17/80/520151780.db2.gz BAEILOFCXFNAEG-SNVBAGLBSA-N -1 3 371.365 2.857 20 5 FFBDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594800473 520164194 /nfs/dbraw/zinc/16/41/94/520164194.db2.gz GDRXETAIDGNAQJ-CQSZACIVSA-N -1 3 356.444 2.695 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)c(F)cc1F ZINC000603236692 520172728 /nfs/dbraw/zinc/17/27/28/520172728.db2.gz QUQUKHUQYMKKCP-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2ccc(C)cc21 ZINC000609319882 520276038 /nfs/dbraw/zinc/27/60/38/520276038.db2.gz SCRMOLUYOBBMIC-HNNXBMFYSA-N -1 3 362.407 2.878 20 5 FFBDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595353721 520425219 /nfs/dbraw/zinc/42/52/19/520425219.db2.gz LMEGVQOOROUTHC-SJORKVTESA-N -1 3 364.423 2.631 20 5 FFBDHM CCOc1cc(C(=O)[N-]c2ncc(C(C)=O)s2)c([N+](=O)[O-])cc1OC ZINC000609832269 520448551 /nfs/dbraw/zinc/44/85/51/520448551.db2.gz OWGYOPBRVQEQDP-UHFFFAOYSA-N -1 3 365.367 2.914 20 5 FFBDHM Cc1cc([O-])cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000600767210 520458565 /nfs/dbraw/zinc/45/85/65/520458565.db2.gz PTOCPBBXJFCTBY-UHFFFAOYSA-N -1 3 357.366 2.698 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c2ncccc12 ZINC000613349222 520459135 /nfs/dbraw/zinc/45/91/35/520459135.db2.gz OCTPFALPQCEIFV-VIFPVBQESA-N -1 3 357.338 2.609 20 5 FFBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OCCN1CCCC1 ZINC000609887126 520469319 /nfs/dbraw/zinc/46/93/19/520469319.db2.gz SIKPYOWBZOBXHH-UHFFFAOYSA-N -1 3 358.398 2.958 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]1CN1CCCC1 ZINC000592757166 520562120 /nfs/dbraw/zinc/56/21/20/520562120.db2.gz JPQHHNWYMIBGMW-LBPRGKRZSA-N -1 3 353.806 2.654 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccco1 ZINC000598606254 520739491 /nfs/dbraw/zinc/73/94/91/520739491.db2.gz GCEMIWNQPYILNF-CYBMUJFWSA-N -1 3 368.411 2.861 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598612212 520742255 /nfs/dbraw/zinc/74/22/55/520742255.db2.gz STVZTGZHAXNBRI-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])s1 ZINC000601410790 520777855 /nfs/dbraw/zinc/77/78/55/520777855.db2.gz RWYVDUIRPDPGSJ-LBPRGKRZSA-N -1 3 360.457 2.592 20 5 FFBDHM O=c1[n-]ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)c1[N+](=O)[O-] ZINC000596105800 520914255 /nfs/dbraw/zinc/91/42/55/520914255.db2.gz YWYDMEALQFJXSI-UHFFFAOYSA-N -1 3 368.353 2.524 20 5 FFBDHM C[C@H](c1ccc(F)cc1F)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596108246 520916688 /nfs/dbraw/zinc/91/66/88/520916688.db2.gz RKWRUJLITMDPNQ-LLVKDONJSA-N -1 3 364.352 2.857 20 5 FFBDHM CC(=O)N1CCCCC[C@@H]1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596121455 520925688 /nfs/dbraw/zinc/92/56/88/520925688.db2.gz OVUFQLFHZXMBTL-OAHLLOKOSA-N -1 3 362.430 2.703 20 5 FFBDHM COc1cc(NC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000596153428 520941335 /nfs/dbraw/zinc/94/13/35/520941335.db2.gz QXZKJOLDUMAWKO-UHFFFAOYSA-N -1 3 374.397 2.794 20 5 FFBDHM O=c1[n-]ccc(NCc2cc(Cl)ccc2N2CCOCC2)c1[N+](=O)[O-] ZINC000596226288 520981326 /nfs/dbraw/zinc/98/13/26/520981326.db2.gz RKLWODHMGPNBFD-UHFFFAOYSA-N -1 3 364.789 2.798 20 5 FFBDHM Cn1[n-]c([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nc1=N ZINC000596252835 520995154 /nfs/dbraw/zinc/99/51/54/520995154.db2.gz TWEDEKFYJRDDTH-AWEZNQCLSA-N -1 3 365.397 2.539 20 5 FFBDHM O=C([O-])[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C1CC1 ZINC000593755701 521195803 /nfs/dbraw/zinc/19/58/03/521195803.db2.gz LDLAVUJGEFZWJK-JKSUJKDBSA-N -1 3 357.366 2.792 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000619472895 521586707 /nfs/dbraw/zinc/58/67/07/521586707.db2.gz MGAJOKXVRQJRQM-CQSZACIVSA-N -1 3 362.407 2.959 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000619480827 521590471 /nfs/dbraw/zinc/59/04/71/521590471.db2.gz COLNNWLXPYKQOK-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccccn1 ZINC000619482082 521591616 /nfs/dbraw/zinc/59/16/16/521591616.db2.gz NMGONOBVCUPPQF-CYBMUJFWSA-N -1 3 365.411 2.818 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC000619498807 521598709 /nfs/dbraw/zinc/59/87/09/521598709.db2.gz ZUVRZANKWDHWNL-UHFFFAOYSA-N -1 3 356.322 2.613 20 5 FFBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820774895 599050644 /nfs/dbraw/zinc/05/06/44/599050644.db2.gz GUVSYFPKGXDWPH-IUODEOHRSA-N -1 3 365.397 2.800 20 5 FFBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820774895 599050648 /nfs/dbraw/zinc/05/06/48/599050648.db2.gz GUVSYFPKGXDWPH-IUODEOHRSA-N -1 3 365.397 2.800 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCCSc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000823652298 599217644 /nfs/dbraw/zinc/21/76/44/599217644.db2.gz ZDKPPHYVJOOTFT-UHFFFAOYSA-N -1 3 357.399 2.764 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCCSc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000823652298 599217645 /nfs/dbraw/zinc/21/76/45/599217645.db2.gz ZDKPPHYVJOOTFT-UHFFFAOYSA-N -1 3 357.399 2.764 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822271425 599236496 /nfs/dbraw/zinc/23/64/96/599236496.db2.gz ZPQYXZGZURPUDN-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822271425 599236501 /nfs/dbraw/zinc/23/65/01/599236501.db2.gz ZPQYXZGZURPUDN-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000821109925 607305496 /nfs/dbraw/zinc/30/54/96/607305496.db2.gz SLUVDGFAPRRSIS-UHFFFAOYSA-N -1 3 353.386 2.895 20 5 FFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000821109925 607305497 /nfs/dbraw/zinc/30/54/97/607305497.db2.gz SLUVDGFAPRRSIS-UHFFFAOYSA-N -1 3 353.386 2.895 20 5 FFBDHM Cc1ccccc1OCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737431970 598243614 /nfs/dbraw/zinc/24/36/14/598243614.db2.gz ONGQOGDNJQXZAV-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1ccccc1OCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737431970 598243616 /nfs/dbraw/zinc/24/36/16/598243616.db2.gz ONGQOGDNJQXZAV-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370601 598364170 /nfs/dbraw/zinc/36/41/70/598364170.db2.gz WMRRAAWRPRRRKB-AWEZNQCLSA-N -1 3 365.397 2.629 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370601 598364172 /nfs/dbraw/zinc/36/41/72/598364172.db2.gz WMRRAAWRPRRRKB-AWEZNQCLSA-N -1 3 365.397 2.629 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ccc(F)c(F)c1 ZINC000738357942 598387269 /nfs/dbraw/zinc/38/72/69/598387269.db2.gz JAOALARKFXPLCO-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ccc(F)c(F)c1 ZINC000738357942 598387270 /nfs/dbraw/zinc/38/72/70/598387270.db2.gz JAOALARKFXPLCO-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM Cc1sc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000737560676 598568420 /nfs/dbraw/zinc/56/84/20/598568420.db2.gz BQEHXVITFLSLFE-UHFFFAOYSA-N -1 3 362.346 2.845 20 5 FFBDHM Cc1sc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1C ZINC000737560676 598568421 /nfs/dbraw/zinc/56/84/21/598568421.db2.gz BQEHXVITFLSLFE-UHFFFAOYSA-N -1 3 362.346 2.845 20 5 FFBDHM COc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000737089968 598613176 /nfs/dbraw/zinc/61/31/76/598613176.db2.gz BQNANISHBFTDOD-UHFFFAOYSA-N -1 3 358.333 2.577 20 5 FFBDHM COc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000737089968 598613177 /nfs/dbraw/zinc/61/31/77/598613177.db2.gz BQNANISHBFTDOD-UHFFFAOYSA-N -1 3 358.333 2.577 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737378479 598613644 /nfs/dbraw/zinc/61/36/44/598613644.db2.gz SMOHFOAIWAPEHX-CQSZACIVSA-N -1 3 352.354 2.937 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737378479 598613647 /nfs/dbraw/zinc/61/36/47/598613647.db2.gz SMOHFOAIWAPEHX-CQSZACIVSA-N -1 3 352.354 2.937 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nc3cc(Cl)ccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000738371615 598629071 /nfs/dbraw/zinc/62/90/71/598629071.db2.gz UPVVUSQHOPZKEO-UHFFFAOYSA-N -1 3 370.760 2.917 20 5 FFBDHM Cc1c(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737217368 598655670 /nfs/dbraw/zinc/65/56/70/598655670.db2.gz DJOUNPNYFDDIKS-UHFFFAOYSA-N -1 3 371.378 2.781 20 5 FFBDHM Cc1c(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000737217368 598655668 /nfs/dbraw/zinc/65/56/68/598655668.db2.gz DJOUNPNYFDDIKS-UHFFFAOYSA-N -1 3 371.378 2.781 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737249207 599326147 /nfs/dbraw/zinc/32/61/47/599326147.db2.gz SYRLOQPCZAYBBG-UHFFFAOYSA-N -1 3 354.370 2.883 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737249207 599326150 /nfs/dbraw/zinc/32/61/50/599326150.db2.gz SYRLOQPCZAYBBG-UHFFFAOYSA-N -1 3 354.370 2.883 20 5 FFBDHM C[C@H](OCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820518779 599326442 /nfs/dbraw/zinc/32/64/42/599326442.db2.gz KPOBNSAJKWFHFJ-LBPRGKRZSA-N -1 3 369.385 2.750 20 5 FFBDHM C[C@H](OCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820518779 599326445 /nfs/dbraw/zinc/32/64/45/599326445.db2.gz KPOBNSAJKWFHFJ-LBPRGKRZSA-N -1 3 369.385 2.750 20 5 FFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738233014 599342944 /nfs/dbraw/zinc/34/29/44/599342944.db2.gz ZKFBOHCKXPGDLI-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738233014 599342948 /nfs/dbraw/zinc/34/29/48/599342948.db2.gz ZKFBOHCKXPGDLI-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116197 599371597 /nfs/dbraw/zinc/37/15/97/599371597.db2.gz LKHCRCCLBRMDGS-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116197 599371600 /nfs/dbraw/zinc/37/16/00/599371600.db2.gz LKHCRCCLBRMDGS-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822271410 599520511 /nfs/dbraw/zinc/52/05/11/599520511.db2.gz ZLGVCIMVRMSZJJ-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822271410 599520513 /nfs/dbraw/zinc/52/05/13/599520513.db2.gz ZLGVCIMVRMSZJJ-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820385105 599635266 /nfs/dbraw/zinc/63/52/66/599635266.db2.gz PENDQSHQTFIGIM-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820385105 599635267 /nfs/dbraw/zinc/63/52/67/599635267.db2.gz PENDQSHQTFIGIM-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM Cc1sc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000826349564 607421327 /nfs/dbraw/zinc/42/13/27/607421327.db2.gz MNEPJUMZHZBMHE-UHFFFAOYSA-N -1 3 370.394 2.564 20 5 FFBDHM Cc1sc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826349564 607421329 /nfs/dbraw/zinc/42/13/29/607421329.db2.gz MNEPJUMZHZBMHE-UHFFFAOYSA-N -1 3 370.394 2.564 20 5 FFBDHM CCN(CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1)C(=O)[O-] ZINC000827098589 603508144 /nfs/dbraw/zinc/50/81/44/603508144.db2.gz DCTGUVHYYLRCTK-UHFFFAOYSA-N -1 3 351.403 2.686 20 5 FFBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826455229 607674452 /nfs/dbraw/zinc/67/44/52/607674452.db2.gz FQAPFLZGIXBWLB-UHFFFAOYSA-N -1 3 365.353 2.586 20 5 FFBDHM O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826455229 607674453 /nfs/dbraw/zinc/67/44/53/607674453.db2.gz FQAPFLZGIXBWLB-UHFFFAOYSA-N -1 3 365.353 2.586 20 5 FFBDHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000825134982 607701336 /nfs/dbraw/zinc/70/13/36/607701336.db2.gz YBCXPPCMZYXKIH-INIZCTEOSA-N -1 3 366.381 2.964 20 5 FFBDHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000825134982 607701338 /nfs/dbraw/zinc/70/13/38/607701338.db2.gz YBCXPPCMZYXKIH-INIZCTEOSA-N -1 3 366.381 2.964 20 5 FFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000833419963 604863694 /nfs/dbraw/zinc/86/36/94/604863694.db2.gz LHWVWJJFMKVBJV-CQSZACIVSA-N -1 3 373.413 2.634 20 5 FFBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824394316 607732795 /nfs/dbraw/zinc/73/27/95/607732795.db2.gz XLYUKUVZCUDUGB-ZANVPECISA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824394316 607732797 /nfs/dbraw/zinc/73/27/97/607732797.db2.gz XLYUKUVZCUDUGB-ZANVPECISA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824394578 607733068 /nfs/dbraw/zinc/73/30/68/607733068.db2.gz YCEHHFAYHRHHJX-NOZJJQNGSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824394578 607733069 /nfs/dbraw/zinc/73/30/69/607733069.db2.gz YCEHHFAYHRHHJX-NOZJJQNGSA-N -1 3 360.399 2.761 20 5 FFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000833420515 605549465 /nfs/dbraw/zinc/54/94/65/605549465.db2.gz SYCVLNXGANPDQC-ZDUSSCGKSA-N -1 3 364.398 2.689 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513394 606351224 /nfs/dbraw/zinc/35/12/24/606351224.db2.gz YZYDGMPKHSIXPM-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513394 606351225 /nfs/dbraw/zinc/35/12/25/606351225.db2.gz YZYDGMPKHSIXPM-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229681 606439086 /nfs/dbraw/zinc/43/90/86/606439086.db2.gz ZGEVGDLBDSOBQB-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229681 606439087 /nfs/dbraw/zinc/43/90/87/606439087.db2.gz ZGEVGDLBDSOBQB-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM COc1ccc(OCCCNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821841396 606645470 /nfs/dbraw/zinc/64/54/70/606645470.db2.gz JBYBRAUKTOHSLM-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM O=[N+]([O-])c1c(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc2ccccn21 ZINC000823630477 606790547 /nfs/dbraw/zinc/79/05/47/606790547.db2.gz XOKGRDABFSOTLH-UHFFFAOYSA-N -1 3 357.717 2.868 20 5 FFBDHM O=[N+]([O-])c1c(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc2ccccn21 ZINC000823630477 606790549 /nfs/dbraw/zinc/79/05/49/606790549.db2.gz XOKGRDABFSOTLH-UHFFFAOYSA-N -1 3 357.717 2.868 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000822221143 607029308 /nfs/dbraw/zinc/02/93/08/607029308.db2.gz CHTVTDZUNSGMLG-UHFFFAOYSA-N -1 3 369.337 2.529 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000822221143 607029310 /nfs/dbraw/zinc/02/93/10/607029310.db2.gz CHTVTDZUNSGMLG-UHFFFAOYSA-N -1 3 369.337 2.529 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820235318 607041204 /nfs/dbraw/zinc/04/12/04/607041204.db2.gz RSGQXIXLDXXANL-MGPLVRAMSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820235318 607041205 /nfs/dbraw/zinc/04/12/05/607041205.db2.gz RSGQXIXLDXXANL-MGPLVRAMSA-N -1 3 372.360 2.838 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000826497768 607849924 /nfs/dbraw/zinc/84/99/24/607849924.db2.gz TZVGGAUFHZUJRB-KCPJHIHWSA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000826497768 607849925 /nfs/dbraw/zinc/84/99/25/607849925.db2.gz TZVGGAUFHZUJRB-KCPJHIHWSA-N -1 3 356.386 2.535 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826272422 608052327 /nfs/dbraw/zinc/05/23/27/608052327.db2.gz IRFLJLWEHADGIY-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826272422 608052328 /nfs/dbraw/zinc/05/23/28/608052328.db2.gz IRFLJLWEHADGIY-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM COc1ccc(CNCc2ccc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000826202919 608132996 /nfs/dbraw/zinc/13/29/96/608132996.db2.gz SMSDFCLNTRESPG-UHFFFAOYSA-N -1 3 374.788 2.727 20 5 FFBDHM CC(=CC(=O)OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823943737 608141622 /nfs/dbraw/zinc/14/16/22/608141622.db2.gz RZCAEVATVKDDPK-BENRWUELSA-N -1 3 365.349 2.922 20 5 FFBDHM CC(=CC(=O)OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823943737 608141623 /nfs/dbraw/zinc/14/16/23/608141623.db2.gz RZCAEVATVKDDPK-BENRWUELSA-N -1 3 365.349 2.922 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H](C4CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499427 608152125 /nfs/dbraw/zinc/15/21/25/608152125.db2.gz IGKLPNOMCNDRHX-LLVKDONJSA-N -1 3 351.370 2.559 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@@H](C4CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499427 608152126 /nfs/dbraw/zinc/15/21/26/608152126.db2.gz IGKLPNOMCNDRHX-LLVKDONJSA-N -1 3 351.370 2.559 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1nc2c(s1)CCCC2 ZINC000826497466 608231538 /nfs/dbraw/zinc/23/15/38/608231538.db2.gz IHCGCSOTJQVRRS-UHFFFAOYSA-N -1 3 371.426 2.765 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1nc2c(s1)CCCC2 ZINC000826497466 608231540 /nfs/dbraw/zinc/23/15/40/608231540.db2.gz IHCGCSOTJQVRRS-UHFFFAOYSA-N -1 3 371.426 2.765 20 5 FFBDHM C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824633266 608487424 /nfs/dbraw/zinc/48/74/24/608487424.db2.gz JLPFBHFHNVNIDA-JTQLQIEISA-N -1 3 365.353 2.767 20 5 FFBDHM Cc1nnc(SCc2cc(F)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826337668 609307545 /nfs/dbraw/zinc/30/75/45/609307545.db2.gz WRPVUZSQCXBIAX-UHFFFAOYSA-N -1 3 361.362 2.613 20 5 FFBDHM Cc1nnc(SCc2cc(F)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826337668 609307547 /nfs/dbraw/zinc/30/75/47/609307547.db2.gz WRPVUZSQCXBIAX-UHFFFAOYSA-N -1 3 361.362 2.613 20 5 FFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000825609645 609417075 /nfs/dbraw/zinc/41/70/75/609417075.db2.gz PCXBCTOTYCRVRX-UHFFFAOYSA-N -1 3 371.353 2.761 20 5 FFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000825609645 609417078 /nfs/dbraw/zinc/41/70/78/609417078.db2.gz PCXBCTOTYCRVRX-UHFFFAOYSA-N -1 3 371.353 2.761 20 5 FFBDHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000742328311 735228257 /nfs/dbraw/zinc/22/82/57/735228257.db2.gz JXNWAZLDLDHGKQ-SCZZXKLOSA-N -1 3 350.849 2.811 20 5 FFBDHM O=C([N-]OCc1cccnc1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000747577159 735571077 /nfs/dbraw/zinc/57/10/77/735571077.db2.gz CNLWDMHHDBZLQX-UHFFFAOYSA-N -1 3 370.134 2.753 20 5 FFBDHM O=C([O-])[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000901898916 735864011 /nfs/dbraw/zinc/86/40/11/735864011.db2.gz DILWTALTEGIPLR-WDEREUQCSA-N -1 3 369.215 2.900 20 5 FFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccccc1Cl ZINC000759168956 736552381 /nfs/dbraw/zinc/55/23/81/736552381.db2.gz UTJHVTYHNNLMPW-CLFYSBASSA-N -1 3 354.775 2.560 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826364697 743383010 /nfs/dbraw/zinc/38/30/10/743383010.db2.gz GUYZXYGVUHGMNG-UHFFFAOYSA-N -1 3 371.304 2.678 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826364697 743383016 /nfs/dbraw/zinc/38/30/16/743383016.db2.gz GUYZXYGVUHGMNG-UHFFFAOYSA-N -1 3 371.304 2.678 20 5 FFBDHM CC(C)n1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000844732035 748086344 /nfs/dbraw/zinc/08/63/44/748086344.db2.gz VYSPGJSGTFWZFH-UHFFFAOYSA-N -1 3 354.164 2.782 20 5 FFBDHM CO[C@H](CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000848592565 748969078 /nfs/dbraw/zinc/96/90/78/748969078.db2.gz KCXHXNHSPSBTBJ-SNVBAGLBSA-N -1 3 372.246 2.650 20 5 FFBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000853327894 750048796 /nfs/dbraw/zinc/04/87/96/750048796.db2.gz FZEPZONKDQVDPY-QWRGUYRKSA-N -1 3 352.391 2.530 20 5 FFBDHM COc1ccccc1[C@@H]1CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000895851153 971008856 /nfs/dbraw/zinc/00/88/56/971008856.db2.gz NAGAWEIBUSOQAN-KRWDZBQOSA-N -1 3 374.393 2.891 20 5 FFBDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001573552746 946880231 /nfs/dbraw/zinc/88/02/31/946880231.db2.gz BBQYZCPBEDVUBJ-UHFFFAOYSA-N -1 3 366.337 2.538 20 5 FFBDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC001573552746 946880237 /nfs/dbraw/zinc/88/02/37/946880237.db2.gz BBQYZCPBEDVUBJ-UHFFFAOYSA-N -1 3 366.337 2.538 20 5 FFBDHM CN1CCN(Cc2ccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC001174504514 1013242162 /nfs/dbraw/zinc/24/21/62/1013242162.db2.gz RRMNIDNDYIPHEZ-UHFFFAOYSA-N -1 3 370.409 2.784 20 5 FFBDHM COc1ccc2c(c1)CN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CCO2 ZINC000894732114 965641812 /nfs/dbraw/zinc/64/18/12/965641812.db2.gz ZKVJMMMJZXLHSD-UHFFFAOYSA-N -1 3 360.366 2.712 20 5 FFBDHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000913299986 984229907 /nfs/dbraw/zinc/22/99/07/984229907.db2.gz VQLANWVAPPLDOA-UHFFFAOYSA-N -1 3 374.284 2.513 20 5 FFBDHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000913299986 984229913 /nfs/dbraw/zinc/22/99/13/984229913.db2.gz VQLANWVAPPLDOA-UHFFFAOYSA-N -1 3 374.284 2.513 20 5 FFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1nnc2ccccc2c1[O-] ZINC000171860813 985420650 /nfs/dbraw/zinc/42/06/50/985420650.db2.gz UNJMWFZGKQXLOV-UHFFFAOYSA-N -1 3 372.768 2.757 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000727311297 995768168 /nfs/dbraw/zinc/76/81/68/995768168.db2.gz WWMWPCXULSENDH-UHFFFAOYSA-N -1 3 363.257 2.666 20 5 FFBDHM CCOc1ccc(NC(=O)COC(=O)c2cc3occc3[n-]2)c([N+](=O)[O-])c1 ZINC000786030353 1001520300 /nfs/dbraw/zinc/52/03/00/1001520300.db2.gz YVUGGJAYTQPSJD-UHFFFAOYSA-N -1 3 373.321 2.863 20 5 FFBDHM COC(=O)c1cc(Br)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802724 1005032017 /nfs/dbraw/zinc/03/20/17/1005032017.db2.gz XFHNMPBYMOSIDT-UHFFFAOYSA-N -1 3 368.143 2.988 20 5 FFBDHM COC(=O)c1nc(Br)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815297 1005034814 /nfs/dbraw/zinc/03/48/14/1005034814.db2.gz ZFCNMJHGKLUUBY-UHFFFAOYSA-N -1 3 368.143 2.988 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC001187920334 1006318744 /nfs/dbraw/zinc/31/87/44/1006318744.db2.gz DWOREWPXMZGGOI-LLVKDONJSA-N -1 3 352.391 2.895 20 5 FFBDHM O=c1cc(Cn2cc(Cl)cc([N+](=O)[O-])c2=O)nc(-c2ccccc2)[n-]1 ZINC001188952991 1006816687 /nfs/dbraw/zinc/81/66/87/1006816687.db2.gz OOVHSNNLFGTJDU-UHFFFAOYSA-N -1 3 358.741 2.621 20 5 FFBDHM COc1c([O-])ccc(CN(C)CC(=O)Nc2ccc(C)cc2)c1[N+](=O)[O-] ZINC001180103370 1009563181 /nfs/dbraw/zinc/56/31/81/1009563181.db2.gz LSHJDMPGIIMPKT-UHFFFAOYSA-N -1 3 359.382 2.688 20 5 FFBDHM CC1(C)CCC([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)(C(N)=O)CC1 ZINC000778057486 1020700855 /nfs/dbraw/zinc/70/08/55/1020700855.db2.gz VZJYUTJYNCTIFL-UHFFFAOYSA-N -1 3 369.368 2.627 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ncccc2Br)no1 ZINC001212936899 1027442099 /nfs/dbraw/zinc/44/20/99/1027442099.db2.gz CLUGQAUDFPADJV-UHFFFAOYSA-N -1 3 364.115 2.570 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)ccc1[N+](=O)[O-] ZINC001535545438 1069828121 /nfs/dbraw/zinc/82/81/21/1069828121.db2.gz SGOFPHPTLMDYGE-SNVBAGLBSA-N -1 3 350.356 2.559 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661777 1034354533 /nfs/dbraw/zinc/35/45/33/1034354533.db2.gz OYLGLMHKFTYPRX-YVEFUNNKSA-N -1 3 365.386 2.864 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Oc3[n-]c(=S)ncc3C3CC3)C2)nc1 ZINC001226120140 1034534460 /nfs/dbraw/zinc/53/44/60/1034534460.db2.gz QLBGZKCFBXHAEY-LBPRGKRZSA-N -1 3 359.411 2.604 20 5 FFBDHM COc1cc(O[C@H]2CCCOC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227644934 1035652976 /nfs/dbraw/zinc/65/29/76/1035652976.db2.gz CWYVXDZRNLXOHA-JTQLQIEISA-N -1 3 358.346 2.924 20 5 FFBDHM CCOC(=O)[C@@H](CCc1ccccc1)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692173 1035674880 /nfs/dbraw/zinc/67/48/80/1035674880.db2.gz UZNIVGDAKPYGDA-CQSZACIVSA-N -1 3 370.365 2.809 20 5 FFBDHM CCOC(=O)[C@@H](CCc1ccccc1)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228684919 1036254168 /nfs/dbraw/zinc/25/41/68/1036254168.db2.gz BNRKVUNFNCHLGI-CQSZACIVSA-N -1 3 360.366 2.947 20 5 FFBDHM Cc1[n-]c(=O)cc(OC[C@H]2CN(c3cccc(F)c3)C(=O)O2)c1[N+](=O)[O-] ZINC001228686084 1036256579 /nfs/dbraw/zinc/25/65/79/1036256579.db2.gz LQRZICSHTHYHSM-GFCCVEGCSA-N -1 3 363.301 2.547 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c1[N+](=O)[O-] ZINC001228688289 1036257193 /nfs/dbraw/zinc/25/71/93/1036257193.db2.gz GUXPYKPTJSHQCS-GRYCIOLGSA-N -1 3 365.386 2.638 20 5 FFBDHM O=[N+]([O-])C[C@@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1cccnc1 ZINC001233500971 1036662174 /nfs/dbraw/zinc/66/21/74/1036662174.db2.gz WIBCFEGNRGNWBD-CYBMUJFWSA-N -1 3 363.717 2.916 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2cccc(F)c2)c([N+](=O)[O-])s1 ZINC001208481521 1038347173 /nfs/dbraw/zinc/34/71/73/1038347173.db2.gz UUOZFOYDMMDSQW-VIFPVBQESA-N -1 3 374.415 2.850 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001209927451 1039293263 /nfs/dbraw/zinc/29/32/63/1039293263.db2.gz JAOZZMAYFRGRHU-SECBINFHSA-N -1 3 357.363 2.687 20 5 FFBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(F)cc1[N+](=O)[O-])OCC ZINC001210951284 1039845214 /nfs/dbraw/zinc/84/52/14/1039845214.db2.gz ATLPRZZOPBRSBE-UHFFFAOYSA-N -1 3 366.349 2.915 20 5 FFBDHM COc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC001248001133 1040095782 /nfs/dbraw/zinc/09/57/82/1040095782.db2.gz ZHJRSDRRNKJTJZ-UHFFFAOYSA-N -1 3 370.321 2.914 20 5 FFBDHM CC(C)[C@@](C)(Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213391296 1040504576 /nfs/dbraw/zinc/50/45/76/1040504576.db2.gz NCGNPJJHAKUZDB-QGZVFWFLSA-N -1 3 363.439 2.926 20 5 FFBDHM Cc1cccnc1[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001214025317 1041168517 /nfs/dbraw/zinc/16/85/17/1041168517.db2.gz VFKACLAOVLVCFF-NSHDSACASA-N -1 3 353.375 2.785 20 5 FFBDHM CC(C)(F)c1cc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)no1 ZINC001538241023 1070378094 /nfs/dbraw/zinc/37/80/94/1070378094.db2.gz AAIHBJCAKGCSRP-UHFFFAOYSA-N -1 3 360.305 2.620 20 5 FFBDHM O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCCc2c(=O)[n-]cnc21 ZINC001288087693 1047397200 /nfs/dbraw/zinc/39/72/00/1047397200.db2.gz DYHFWIWPJDLILJ-UHFFFAOYSA-N -1 3 368.271 2.702 20 5 FFBDHM C[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)n[n-]1 ZINC001304131380 1051550316 /nfs/dbraw/zinc/55/03/16/1051550316.db2.gz HXJRVBGLDJWLGH-LURJTMIESA-N -1 3 368.275 2.704 20 5 FFBDHM COc1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1[N+](=O)[O-] ZINC001304814926 1051717806 /nfs/dbraw/zinc/71/78/06/1051717806.db2.gz VFLUKCYIBYLJTK-AULYBMBSSA-N -1 3 372.381 2.555 20 5 FFBDHM Cn1ncc2c1nc(SCc1cc(Cl)ccc1[N+](=O)[O-])[n-]c2=O ZINC001307372361 1052294511 /nfs/dbraw/zinc/29/45/11/1052294511.db2.gz QKJGYTMGXRVJNZ-UHFFFAOYSA-N -1 3 351.775 2.923 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309332590 1052600927 /nfs/dbraw/zinc/60/09/27/1052600927.db2.gz RUXJZXNVMWUOOQ-VIFPVBQESA-N -1 3 371.390 2.729 20 5 FFBDHM CN(C)CCN(CCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001544585448 1071664750 /nfs/dbraw/zinc/66/47/50/1071664750.db2.gz BWFVKYHVSOUVGZ-UHFFFAOYSA-N -1 3 357.410 2.547 20 5 FFBDHM O=c1[n-]c(C2CC2)nc2c1CN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC001472867721 1059603918 /nfs/dbraw/zinc/60/39/18/1059603918.db2.gz QYSRVMWIDHPWIB-UHFFFAOYSA-N -1 3 367.287 2.902 20 5 FFBDHM O=C(Nc1nc2cc(F)c(Cl)cc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457949342 1060477984 /nfs/dbraw/zinc/47/79/84/1060477984.db2.gz LEGQHZMEVMDCGA-UHFFFAOYSA-N -1 3 351.681 2.617 20 5 FFBDHM O=C(NCc1ccco1)c1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001458117323 1060518119 /nfs/dbraw/zinc/51/81/19/1060518119.db2.gz FZVKZWYUGADLAT-UHFFFAOYSA-N -1 3 368.349 2.831 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCO3)c([N+](=O)[O-])s1 ZINC001475738991 1061245723 /nfs/dbraw/zinc/24/57/23/1061245723.db2.gz RTMFYMFUUOXUDG-SNVBAGLBSA-N -1 3 368.436 2.939 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c([N+](=O)[O-])s1 ZINC001463614117 1062182257 /nfs/dbraw/zinc/18/22/57/1062182257.db2.gz NAQCSKOVBRZMGK-UHFFFAOYSA-N -1 3 367.452 2.717 20 5 FFBDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C1CC1 ZINC001463886748 1062316216 /nfs/dbraw/zinc/31/62/16/1062316216.db2.gz ZDTJGOPXVJUXCG-BMIGLBTASA-N -1 3 360.407 2.524 20 5 FFBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001442078520 1063497638 /nfs/dbraw/zinc/49/76/38/1063497638.db2.gz ITQZWRVUEVTKGX-UHFFFAOYSA-N -1 3 373.315 2.687 20 5 FFBDHM COc1c(C)cccc1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001579875004 1078704290 /nfs/dbraw/zinc/70/42/90/1078704290.db2.gz QLOBYXZCZSLFCY-UHFFFAOYSA-N -1 3 358.333 2.843 20 5 FFBDHM COc1c(C)cccc1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001579875004 1078704297 /nfs/dbraw/zinc/70/42/97/1078704297.db2.gz QLOBYXZCZSLFCY-UHFFFAOYSA-N -1 3 358.333 2.843 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001580614232 1078837291 /nfs/dbraw/zinc/83/72/91/1078837291.db2.gz PMHJKFZADCPUBN-UHFFFAOYSA-N -1 3 370.344 2.712 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001580614232 1078837294 /nfs/dbraw/zinc/83/72/94/1078837294.db2.gz PMHJKFZADCPUBN-UHFFFAOYSA-N -1 3 370.344 2.712 20 5 FFBDHM Cc1cc(C)c(OC(=O)c2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC001580904191 1078889704 /nfs/dbraw/zinc/88/97/04/1078889704.db2.gz KFERTHBSFKLXIL-UHFFFAOYSA-N -1 3 357.301 2.750 20 5 FFBDHM Cc1cc(C)c(OC(=O)c2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC001580904191 1078889710 /nfs/dbraw/zinc/88/97/10/1078889710.db2.gz KFERTHBSFKLXIL-UHFFFAOYSA-N -1 3 357.301 2.750 20 5 FFBDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001580931747 1078894553 /nfs/dbraw/zinc/89/45/53/1078894553.db2.gz LTAJDLQWZHAHDB-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001580931747 1078894557 /nfs/dbraw/zinc/89/45/57/1078894557.db2.gz LTAJDLQWZHAHDB-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(-c2nnn[n-]2)c1 ZINC001580980971 1078901628 /nfs/dbraw/zinc/90/16/28/1078901628.db2.gz YXHZCVVBRCNTQC-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(-c2nn[n-]n2)c1 ZINC001580980971 1078901632 /nfs/dbraw/zinc/90/16/32/1078901632.db2.gz YXHZCVVBRCNTQC-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001582804568 1079110580 /nfs/dbraw/zinc/11/05/80/1079110580.db2.gz VYRVFEJHMWROPI-UHFFFAOYSA-N -1 3 371.788 2.729 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001582804568 1079110585 /nfs/dbraw/zinc/11/05/85/1079110585.db2.gz VYRVFEJHMWROPI-UHFFFAOYSA-N -1 3 371.788 2.729 20 5 FFBDHM CCOC(=O)c1noc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1C ZINC001585243439 1079443493 /nfs/dbraw/zinc/44/34/93/1079443493.db2.gz DRCDZSLWXQFHTC-UHFFFAOYSA-N -1 3 355.253 2.598 20 5 FFBDHM O=c1oc2cccc([N+](=O)[O-])c2n1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001559406706 1076155589 /nfs/dbraw/zinc/15/55/89/1076155589.db2.gz BLLFHRCBPQPCMD-UHFFFAOYSA-N -1 3 364.317 2.714 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)c([N+](=O)[O-])s1 ZINC001561621606 1076399430 /nfs/dbraw/zinc/39/94/30/1076399430.db2.gz WHYAVLWGMORTSE-ZANVPECISA-N -1 3 354.409 2.765 20 5 FFBDHM CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001561970829 1076457040 /nfs/dbraw/zinc/45/70/40/1076457040.db2.gz KSCGEOHSNJCSOK-UMSPYCQHSA-N -1 3 360.819 2.674 20 5 FFBDHM CC(C)Oc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001589750456 1080701653 /nfs/dbraw/zinc/70/16/53/1080701653.db2.gz BNVSQGMLIJQXQS-UHFFFAOYSA-N -1 3 369.337 2.781 20 5 FFBDHM CC(C)Oc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001589750456 1080701659 /nfs/dbraw/zinc/70/16/59/1080701659.db2.gz BNVSQGMLIJQXQS-UHFFFAOYSA-N -1 3 369.337 2.781 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589936073 1080880369 /nfs/dbraw/zinc/88/03/69/1080880369.db2.gz DGRFSLOPZHCSGH-JTQLQIEISA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589936073 1080880376 /nfs/dbraw/zinc/88/03/76/1080880376.db2.gz DGRFSLOPZHCSGH-JTQLQIEISA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC001589980473 1080918997 /nfs/dbraw/zinc/91/89/97/1080918997.db2.gz AXDADKAZFKWYQQ-SECBINFHSA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001589987251 1080923975 /nfs/dbraw/zinc/92/39/75/1080923975.db2.gz BKAHYDOKXYQADG-VIFPVBQESA-N -1 3 372.364 2.548 20 5 FFBDHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001589987251 1080923980 /nfs/dbraw/zinc/92/39/80/1080923980.db2.gz BKAHYDOKXYQADG-VIFPVBQESA-N -1 3 372.364 2.548 20 5 FFBDHM C[C@H](O)CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589999523 1080929354 /nfs/dbraw/zinc/92/93/54/1080929354.db2.gz UCKBHORWENPERB-LBPRGKRZSA-N -1 3 369.381 2.667 20 5 FFBDHM C[C@H](O)CCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589999523 1080929359 /nfs/dbraw/zinc/92/93/59/1080929359.db2.gz UCKBHORWENPERB-LBPRGKRZSA-N -1 3 369.381 2.667 20 5 FFBDHM C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590052802 1080980983 /nfs/dbraw/zinc/98/09/83/1080980983.db2.gz UXPLPIQBWHKMBA-BLLLJJGKSA-N -1 3 365.397 2.942 20 5 FFBDHM C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590052802 1080980986 /nfs/dbraw/zinc/98/09/86/1080980986.db2.gz UXPLPIQBWHKMBA-BLLLJJGKSA-N -1 3 365.397 2.942 20 5 FFBDHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590180534 1081073977 /nfs/dbraw/zinc/07/39/77/1081073977.db2.gz HGFCDXMXGFYEPR-BXUZGUMPSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590180534 1081073980 /nfs/dbraw/zinc/07/39/80/1081073980.db2.gz HGFCDXMXGFYEPR-BXUZGUMPSA-N -1 3 351.370 2.552 20 5 FFBDHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152984652 251087992 /nfs/dbraw/zinc/08/79/92/251087992.db2.gz PLSZEONXYFYUKC-LBPRGKRZSA-N -1 3 366.443 2.894 20 5 FFBDHM C[C@@](O)(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000272317924 252007857 /nfs/dbraw/zinc/00/78/57/252007857.db2.gz JJSYCPANWHYVEI-CQSZACIVSA-N -1 3 356.350 2.772 20 5 FFBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000272424147 252035274 /nfs/dbraw/zinc/03/52/74/252035274.db2.gz XUFFYHQBPUQXPO-NEPJUHHUSA-N -1 3 369.368 2.592 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000272365749 252020810 /nfs/dbraw/zinc/02/08/10/252020810.db2.gz CSPWXZNQCZPFMN-ZDUSSCGKSA-N -1 3 354.384 2.552 20 5 FFBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000273124013 252223863 /nfs/dbraw/zinc/22/38/63/252223863.db2.gz FFEZZAGVPCQPKN-UHFFFAOYSA-N -1 3 373.398 2.949 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cnc(Cl)s2)c1[N+](=O)[O-] ZINC000289261805 257270086 /nfs/dbraw/zinc/27/00/86/257270086.db2.gz AGPQWWFZQBLRJO-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cnc(Cl)s2)cc1C ZINC000289809830 257300604 /nfs/dbraw/zinc/30/06/04/257300604.db2.gz JYRIAMQXVPNPIM-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)cc1C ZINC000295928419 257652838 /nfs/dbraw/zinc/65/28/38/257652838.db2.gz IGTBZHUUFCSDSR-AWEZNQCLSA-N -1 3 352.416 2.610 20 5 FFBDHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000331174301 258179110 /nfs/dbraw/zinc/17/91/10/258179110.db2.gz OZFXVFKHSSCEJK-AAEUAGOBSA-N -1 3 374.484 2.946 20 5 FFBDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000053671123 506425538 /nfs/dbraw/zinc/42/55/38/506425538.db2.gz ALARKFIVXJQMQF-ZDUSSCGKSA-N -1 3 350.396 2.649 20 5 FFBDHM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055962984 506897186 /nfs/dbraw/zinc/89/71/86/506897186.db2.gz PTTNJHCDICMPSS-JTQLQIEISA-N -1 3 354.359 2.782 20 5 FFBDHM COc1ccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)cc1[N+](=O)[O-] ZINC000046757284 507188560 /nfs/dbraw/zinc/18/85/60/507188560.db2.gz YTVODDONXDUKEC-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C)cc1 ZINC000022684569 507303783 /nfs/dbraw/zinc/30/37/83/507303783.db2.gz HWGLXSGTEXBBEI-QGZVFWFLSA-N -1 3 357.410 2.896 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@H]2C)cc1C ZINC000060443101 507543758 /nfs/dbraw/zinc/54/37/58/507543758.db2.gz QKUJXNSXZFCGQP-HUUCEWRRSA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nc3ccccc3n2C)cc1C ZINC000060497810 507552289 /nfs/dbraw/zinc/55/22/89/507552289.db2.gz DDJOWBRAQWJZLJ-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM CCOc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2c1 ZINC000028835280 507744242 /nfs/dbraw/zinc/74/42/42/507744242.db2.gz NEMWRAMBHLKAFO-UHFFFAOYSA-N -1 3 360.351 2.544 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000072992955 507882368 /nfs/dbraw/zinc/88/23/68/507882368.db2.gz RBWBLVHSFOWSOV-MRVPVSSYSA-N -1 3 359.791 2.893 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000111349907 508092590 /nfs/dbraw/zinc/09/25/90/508092590.db2.gz YDZDJGIYPQYSMX-ZDUSSCGKSA-N -1 3 362.407 2.612 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000111358541 508094002 /nfs/dbraw/zinc/09/40/02/508094002.db2.gz DUAQTSFXKPUNRI-ZFWWWQNUSA-N -1 3 362.407 2.685 20 5 FFBDHM O=C(c1cccc([O-])c1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092937608 508109331 /nfs/dbraw/zinc/10/93/31/508109331.db2.gz UPZLDCJXJUNRQC-QPJJXVBHSA-N -1 3 367.405 2.772 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000112164159 508156516 /nfs/dbraw/zinc/15/65/16/508156516.db2.gz KBGKOITVNOGHBO-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156983327 508505982 /nfs/dbraw/zinc/50/59/82/508505982.db2.gz OKWTXMRALGPCMZ-UHFFFAOYSA-N -1 3 360.395 2.764 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000135541019 508621018 /nfs/dbraw/zinc/62/10/18/508621018.db2.gz VRLOEHZCBHQUEX-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000158702074 508741696 /nfs/dbraw/zinc/74/16/96/508741696.db2.gz UCQVOQQPZUPQJD-MRVPVSSYSA-N -1 3 373.818 2.935 20 5 FFBDHM C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CN1Cc1ccccc1 ZINC000137882018 508766200 /nfs/dbraw/zinc/76/62/00/508766200.db2.gz GQRLLNBHDPFYAT-CZUORRHYSA-N -1 3 355.394 2.693 20 5 FFBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000130923269 508866176 /nfs/dbraw/zinc/86/61/76/508866176.db2.gz XPEDCJGGGKKFOL-NSHDSACASA-N -1 3 373.456 2.611 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(F)cc1 ZINC000124880524 508899221 /nfs/dbraw/zinc/89/92/21/508899221.db2.gz NUTLTEMBRZUKRE-ZDUSSCGKSA-N -1 3 374.415 2.770 20 5 FFBDHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000154993238 508899920 /nfs/dbraw/zinc/89/99/20/508899920.db2.gz CFKBBXATLVIJJO-ZDUSSCGKSA-N -1 3 364.851 2.570 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1[N+](=O)[O-] ZINC000155103147 508924263 /nfs/dbraw/zinc/92/42/63/508924263.db2.gz GSQIJNJEOXNFGQ-UHFFFAOYSA-N -1 3 361.333 2.547 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160170156 508949011 /nfs/dbraw/zinc/94/90/11/508949011.db2.gz XRSIQYWJYMGBEQ-SECBINFHSA-N -1 3 356.787 2.993 20 5 FFBDHM CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000131696816 508961318 /nfs/dbraw/zinc/96/13/18/508961318.db2.gz PGWKXMROWZKTFT-UHFFFAOYSA-N -1 3 374.422 2.794 20 5 FFBDHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125415189 508979562 /nfs/dbraw/zinc/97/95/62/508979562.db2.gz SQESJIDJSPEGSF-UHFFFAOYSA-N -1 3 356.425 2.760 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000121613409 509179498 /nfs/dbraw/zinc/17/94/98/509179498.db2.gz AMTRYQQPHQIPEI-LBPRGKRZSA-N -1 3 352.368 2.552 20 5 FFBDHM Cc1cnccc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000188842237 509289097 /nfs/dbraw/zinc/28/90/97/509289097.db2.gz RGNBIPKDHKXFBO-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccs2)c(C(F)(F)F)c1 ZINC000162841275 509310617 /nfs/dbraw/zinc/31/06/17/509310617.db2.gz UHGSCLUCOMSPPM-UHFFFAOYSA-N -1 3 367.330 2.549 20 5 FFBDHM CC(C)n1cnc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000179250236 509338821 /nfs/dbraw/zinc/33/88/21/509338821.db2.gz ZSGHLEZAZZKOLE-UHFFFAOYSA-N -1 3 366.443 2.673 20 5 FFBDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000185766999 509346169 /nfs/dbraw/zinc/34/61/69/509346169.db2.gz UDGAQGIRWAZEBP-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000173449357 509606925 /nfs/dbraw/zinc/60/69/25/509606925.db2.gz XWQKJIZXRJDCGG-LLVKDONJSA-N -1 3 370.452 2.822 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000186339763 509656843 /nfs/dbraw/zinc/65/68/43/509656843.db2.gz APNPHRALIVXLCC-UHFFFAOYSA-N -1 3 362.407 2.657 20 5 FFBDHM COc1cc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)ccc1[N+](=O)[O-] ZINC000183258553 509683312 /nfs/dbraw/zinc/68/33/12/509683312.db2.gz UKNIDGATQZSNBN-UHFFFAOYSA-N -1 3 371.328 2.704 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000192927700 509701390 /nfs/dbraw/zinc/70/13/90/509701390.db2.gz LIVKACVNNCUHJD-CYBMUJFWSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173713207 509734578 /nfs/dbraw/zinc/73/45/78/509734578.db2.gz WGBIXTDXLAYFGL-CYBMUJFWSA-N -1 3 350.396 2.649 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000170735426 509745175 /nfs/dbraw/zinc/74/51/75/509745175.db2.gz ZYSFHWXSVDDVBZ-AWEZNQCLSA-N -1 3 350.396 2.569 20 5 FFBDHM Cc1c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cccc1[N+](=O)[O-] ZINC000177182009 509923191 /nfs/dbraw/zinc/92/31/91/509923191.db2.gz ODRZFFBHYILIQE-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190084238 509930537 /nfs/dbraw/zinc/93/05/37/509930537.db2.gz YOWAVIMMNDANQA-LLVKDONJSA-N -1 3 367.427 2.898 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000187175358 510103308 /nfs/dbraw/zinc/10/33/08/510103308.db2.gz JLJQAZGTHPUJPK-ZDUSSCGKSA-N -1 3 369.374 2.567 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000193984497 510163008 /nfs/dbraw/zinc/16/30/08/510163008.db2.gz KHOYREJFHAVFKX-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000194007306 510173535 /nfs/dbraw/zinc/17/35/35/510173535.db2.gz JVMVYMCDJCMEKK-UHFFFAOYSA-N -1 3 350.849 2.812 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000265695166 510180254 /nfs/dbraw/zinc/18/02/54/510180254.db2.gz ATUIOFRRNDIMBB-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM O=C(Nc1ccccc1OCC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187549911 510326410 /nfs/dbraw/zinc/32/64/10/510326410.db2.gz NSAFBLIXAKBRGC-UHFFFAOYSA-N -1 3 357.244 2.889 20 5 FFBDHM COc1cc(CNc2ccc(-c3ncn(C)n3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000190879913 510390623 /nfs/dbraw/zinc/39/06/23/510390623.db2.gz WEMLVDWXSWMRCO-UHFFFAOYSA-N -1 3 355.354 2.717 20 5 FFBDHM O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194738572 510503506 /nfs/dbraw/zinc/50/35/06/510503506.db2.gz VRPNUBNQLRDVRF-HNNXBMFYSA-N -1 3 355.394 2.552 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000178913719 510832823 /nfs/dbraw/zinc/83/28/23/510832823.db2.gz BERYERWQRWPZPL-UHFFFAOYSA-N -1 3 355.803 2.554 20 5 FFBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295440027 511406789 /nfs/dbraw/zinc/40/67/89/511406789.db2.gz JUYGJLTZEGAJNZ-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000312252137 511783539 /nfs/dbraw/zinc/78/35/39/511783539.db2.gz FQZAVIORFVLWGX-INIZCTEOSA-N -1 3 369.421 2.942 20 5 FFBDHM O=C([N-][C@@H](c1nc[nH]n1)c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000363860789 511813553 /nfs/dbraw/zinc/81/35/53/511813553.db2.gz HILRBYABOSRVBZ-CQSZACIVSA-N -1 3 373.319 2.711 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)nn2-c2ccccc2)c1 ZINC000440127657 513253020 /nfs/dbraw/zinc/25/30/20/513253020.db2.gz BOXZITRNVDQKPJ-UHFFFAOYSA-N -1 3 369.406 2.880 20 5 FFBDHM CC[C@@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000429642682 513429439 /nfs/dbraw/zinc/42/94/39/513429439.db2.gz AMMAIHULZAVDDL-LLVKDONJSA-N -1 3 369.328 2.624 20 5 FFBDHM CN(C)[C@@H]1CCOc2c(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cccc21 ZINC000447727708 513554531 /nfs/dbraw/zinc/55/45/31/513554531.db2.gz KFFDHHGVLBCEEC-MRXNPFEDSA-N -1 3 357.366 2.938 20 5 FFBDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000442785508 513779709 /nfs/dbraw/zinc/77/97/09/513779709.db2.gz UIAWUPXBOJPDJK-RYUDHWBXSA-N -1 3 370.427 2.613 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000436183749 513787281 /nfs/dbraw/zinc/78/72/81/513787281.db2.gz JZRLPMGGGIEAHL-AWEZNQCLSA-N -1 3 372.349 2.539 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451638552 513878525 /nfs/dbraw/zinc/87/85/25/513878525.db2.gz DWKWRLRQYBNFJS-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)cc1C ZINC000416644206 513884897 /nfs/dbraw/zinc/88/48/97/513884897.db2.gz HYFGIYSGMNMJPU-OAHLLOKOSA-N -1 3 362.407 2.761 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000416646741 513885649 /nfs/dbraw/zinc/88/56/49/513885649.db2.gz LLWALGJVNBNQFB-LBPRGKRZSA-N -1 3 354.409 2.515 20 5 FFBDHM O=[N+]([O-])c1cnn(CCc2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436619590 513920043 /nfs/dbraw/zinc/92/00/43/513920043.db2.gz SAILMECYIYOBFB-UHFFFAOYSA-N -1 3 351.322 2.943 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)cc1C ZINC000443390540 513957643 /nfs/dbraw/zinc/95/76/43/513957643.db2.gz SSUVMVINKWORGS-CYBMUJFWSA-N -1 3 364.423 2.827 20 5 FFBDHM COc1cc([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000414182672 514002102 /nfs/dbraw/zinc/00/21/02/514002102.db2.gz MBEKAXJYWIYYCF-AWEZNQCLSA-N -1 3 351.403 2.564 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000451819946 514003360 /nfs/dbraw/zinc/00/33/60/514003360.db2.gz XGAKCYZAAIJYDL-LSDHHAIUSA-N -1 3 370.471 2.941 20 5 FFBDHM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CN1Cc1ccccc1 ZINC000436888760 514022278 /nfs/dbraw/zinc/02/22/78/514022278.db2.gz UBBPYDPWEDQYKG-HIFRSBDPSA-N -1 3 355.394 2.693 20 5 FFBDHM C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CN1Cc1ccccc1 ZINC000436971278 514056424 /nfs/dbraw/zinc/05/64/24/514056424.db2.gz IHEKLUWZQUEGQM-ZFWWWQNUSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2F)ccc1[N+](=O)[O-] ZINC000414399668 514093847 /nfs/dbraw/zinc/09/38/47/514093847.db2.gz VNEMNHMEJYLHSE-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM Cc1cc(OCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)ccc1[N+](=O)[O-] ZINC000437542496 514179145 /nfs/dbraw/zinc/17/91/45/514179145.db2.gz UISQHAGIGDDGDA-UHFFFAOYSA-N -1 3 371.328 2.845 20 5 FFBDHM COc1cc(F)cc(C[C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000452087806 514182571 /nfs/dbraw/zinc/18/25/71/514182571.db2.gz NCHJMOHHMVEUGH-NSHDSACASA-N -1 3 368.386 2.652 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1CCN(C)C ZINC000438241055 514335531 /nfs/dbraw/zinc/33/55/31/514335531.db2.gz QAXWIPYNJBTLAC-UHFFFAOYSA-N -1 3 363.439 2.808 20 5 FFBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(-c2ccccc2)n1 ZINC000479583965 514640960 /nfs/dbraw/zinc/64/09/60/514640960.db2.gz YCALIQKGNWAROG-UHFFFAOYSA-N -1 3 357.757 2.812 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c1C ZINC000466552908 514688074 /nfs/dbraw/zinc/68/80/74/514688074.db2.gz WBCNFEXKOGPHNH-CYBMUJFWSA-N -1 3 366.370 2.763 20 5 FFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000466557391 514690390 /nfs/dbraw/zinc/69/03/90/514690390.db2.gz VMZMIHMNSQCHLX-LSDHHAIUSA-N -1 3 374.846 2.732 20 5 FFBDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000502713892 514749866 /nfs/dbraw/zinc/74/98/66/514749866.db2.gz UBODHGIHWNEDSC-OAHLLOKOSA-N -1 3 369.487 2.836 20 5 FFBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461943299 514798986 /nfs/dbraw/zinc/79/89/86/514798986.db2.gz WPJJXFAPRQQSBN-UHFFFAOYSA-N -1 3 354.288 2.980 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)nc1 ZINC000508679104 514863717 /nfs/dbraw/zinc/86/37/17/514863717.db2.gz LMHJDSYXDZVLNK-JTQLQIEISA-N -1 3 350.325 2.660 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000467055739 514879861 /nfs/dbraw/zinc/87/98/61/514879861.db2.gz DJBVQFAFHSQRQF-VXGBXAGGSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000467055737 514880441 /nfs/dbraw/zinc/88/04/41/514880441.db2.gz DJBVQFAFHSQRQF-NWDGAFQWSA-N -1 3 362.473 2.837 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c1 ZINC000467128891 514908071 /nfs/dbraw/zinc/90/80/71/514908071.db2.gz VVPZMPBVKHLNJP-SNVBAGLBSA-N -1 3 361.217 2.744 20 5 FFBDHM COC1CCC(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000480995515 515165500 /nfs/dbraw/zinc/16/55/00/515165500.db2.gz XFYJUWCUZADWBV-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCc2ccccc2)c1C ZINC000481007830 515171113 /nfs/dbraw/zinc/17/11/13/515171113.db2.gz RTFDFYGEXRUNAK-UHFFFAOYSA-N -1 3 364.423 2.707 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000481017812 515174538 /nfs/dbraw/zinc/17/45/38/515174538.db2.gz WGYRBACTLZDPJQ-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C ZINC000481066653 515194096 /nfs/dbraw/zinc/19/40/96/515194096.db2.gz CKTRPZQOZSNZKW-CQSZACIVSA-N -1 3 358.460 2.941 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1cccc(F)c1 ZINC000462700094 515197328 /nfs/dbraw/zinc/19/73/28/515197328.db2.gz GRASADDKEVUCCV-JTQLQIEISA-N -1 3 372.349 2.619 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000490428111 515206047 /nfs/dbraw/zinc/20/60/47/515206047.db2.gz QYDARIKALVKQIV-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccc(F)cc1 ZINC000462713061 515207369 /nfs/dbraw/zinc/20/73/69/515207369.db2.gz XAAGLNZWSUGPJP-JTQLQIEISA-N -1 3 372.349 2.619 20 5 FFBDHM Cc1nc(CC2CC2)oc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000476959487 515265320 /nfs/dbraw/zinc/26/53/20/515265320.db2.gz LRVMTBBOOJCXRM-UHFFFAOYSA-N -1 3 367.365 2.908 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)o1 ZINC000490625637 515266320 /nfs/dbraw/zinc/26/63/20/515266320.db2.gz LJBNSFAYTCRYMX-UHFFFAOYSA-N -1 3 367.427 2.939 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000476980190 515276056 /nfs/dbraw/zinc/27/60/56/515276056.db2.gz LSYVCKOJCWJPOK-UHFFFAOYSA-N -1 3 362.407 2.828 20 5 FFBDHM CN1CC[C@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccccc1 ZINC000485990447 515287591 /nfs/dbraw/zinc/28/75/91/515287591.db2.gz NYSZWLQNCNURJC-DLBZAZTESA-N -1 3 365.393 2.924 20 5 FFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000481336098 515296596 /nfs/dbraw/zinc/29/65/96/515296596.db2.gz GGKGUTRYPAGJIA-DGCLKSJQSA-N -1 3 360.457 2.556 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(F)c2Br)n1 ZINC000468293983 515300387 /nfs/dbraw/zinc/30/03/87/515300387.db2.gz BTBOHALDJAQHFV-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000481499096 515349621 /nfs/dbraw/zinc/34/96/21/515349621.db2.gz BOCDZZSNOOQLRS-JTQLQIEISA-N -1 3 364.851 2.714 20 5 FFBDHM CNc1c(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cccc1[N+](=O)[O-] ZINC000463114731 515374039 /nfs/dbraw/zinc/37/40/39/515374039.db2.gz VABUUEFSSRSIRR-UHFFFAOYSA-N -1 3 356.317 2.813 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCCC2(C)C)cc1[N+](=O)[O-] ZINC000491571756 515455294 /nfs/dbraw/zinc/45/52/94/515455294.db2.gz HLAMXYFFACCUNU-CYBMUJFWSA-N -1 3 360.407 2.990 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)(C)C ZINC000510566037 515588287 /nfs/dbraw/zinc/58/82/87/515588287.db2.gz PYCCMHZMGCCYJM-NSHDSACASA-N -1 3 350.462 2.694 20 5 FFBDHM COc1cccc(F)c1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000473464842 515622015 /nfs/dbraw/zinc/62/20/15/515622015.db2.gz UULPRADHFMQQDC-UHFFFAOYSA-N -1 3 356.313 2.807 20 5 FFBDHM O=C(NCCCNc1nc2ccccc2cc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000473524371 515646608 /nfs/dbraw/zinc/64/66/08/515646608.db2.gz XGORAFPDQOPKNR-UHFFFAOYSA-N -1 3 366.377 2.503 20 5 FFBDHM O=C(Nc1cccc(NCC(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000505794721 515675133 /nfs/dbraw/zinc/67/51/33/515675133.db2.gz FIUTUZKWCXNKRX-UHFFFAOYSA-N -1 3 356.260 2.922 20 5 FFBDHM CSc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000486913599 515682935 /nfs/dbraw/zinc/68/29/35/515682935.db2.gz XLAHCJIOPVSEJX-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000486913599 515682941 /nfs/dbraw/zinc/68/29/41/515682941.db2.gz XLAHCJIOPVSEJX-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC000469244630 515738529 /nfs/dbraw/zinc/73/85/29/515738529.db2.gz JJBVKGUJXATRKR-RYUDHWBXSA-N -1 3 370.427 2.629 20 5 FFBDHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469286686 515755431 /nfs/dbraw/zinc/75/54/31/515755431.db2.gz ZSEAJBMWOWACIM-UHFFFAOYSA-N -1 3 372.443 2.876 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000474297220 515978009 /nfs/dbraw/zinc/97/80/09/515978009.db2.gz BETFAUDKIPUSJD-LBPRGKRZSA-N -1 3 368.798 2.969 20 5 FFBDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507561200 516245120 /nfs/dbraw/zinc/24/51/20/516245120.db2.gz RIQLHZBWCZPWAI-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CCc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1C ZINC000497554048 516326280 /nfs/dbraw/zinc/32/62/80/516326280.db2.gz XKEPDLHJNPMVQR-UHFFFAOYSA-N -1 3 367.203 2.934 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000531444781 516469820 /nfs/dbraw/zinc/46/98/20/516469820.db2.gz VXLPDSHZZILXCB-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(F)c1 ZINC000523549436 516503064 /nfs/dbraw/zinc/50/30/64/516503064.db2.gz GIARAESCWXDMCI-UHFFFAOYSA-N -1 3 356.313 2.807 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1noc2c1CCCC2 ZINC000523544638 516503335 /nfs/dbraw/zinc/50/33/35/516503335.db2.gz OPMIFEBNBLQWSX-UHFFFAOYSA-N -1 3 353.338 2.526 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)cc1C ZINC000544104265 516584444 /nfs/dbraw/zinc/58/44/44/516584444.db2.gz IWGMPZYWVRCBDD-KGLIPLIRSA-N -1 3 356.444 2.695 20 5 FFBDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000541308963 516979365 /nfs/dbraw/zinc/97/93/65/516979365.db2.gz UJFVWWFWJPVAAL-MNOVXSKESA-N -1 3 362.835 2.732 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c1C ZINC000541311934 516981045 /nfs/dbraw/zinc/98/10/45/516981045.db2.gz BKGBVDJXWXQKFY-JSGCOSHPSA-N -1 3 356.444 2.695 20 5 FFBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]c1nncn1C1CC1 ZINC000552321686 517196292 /nfs/dbraw/zinc/19/62/92/517196292.db2.gz AVKLEKQZLQYWLR-QMMMGPOBSA-N -1 3 351.750 2.581 20 5 FFBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000537657165 517283989 /nfs/dbraw/zinc/28/39/89/517283989.db2.gz OZMSSJSUXQQXIP-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)c([O-])c1 ZINC000537771570 517337225 /nfs/dbraw/zinc/33/72/25/517337225.db2.gz KGRIAOWOBAOIFS-UHFFFAOYSA-N -1 3 360.322 2.738 20 5 FFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nn1-c1cccc(Cl)c1 ZINC000538624453 517693654 /nfs/dbraw/zinc/69/36/54/517693654.db2.gz QMMYXUGUCFCDLZ-UHFFFAOYSA-N -1 3 373.756 2.517 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1C ZINC000563912565 518226826 /nfs/dbraw/zinc/22/68/26/518226826.db2.gz VJMZCHIOKDVDJB-LBPRGKRZSA-N -1 3 352.334 2.831 20 5 FFBDHM C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000567166626 518385853 /nfs/dbraw/zinc/38/58/53/518385853.db2.gz HABUJNIQRWOBCB-MLGOLLRUSA-N -1 3 358.398 2.538 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000586767887 518635812 /nfs/dbraw/zinc/63/58/12/518635812.db2.gz CKDLXGXZOJCCSK-SECBINFHSA-N -1 3 371.802 2.691 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2F)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000582364631 518718372 /nfs/dbraw/zinc/71/83/72/518718372.db2.gz MZFRGLZXRKJRCB-XLKFXECMSA-N -1 3 374.415 2.504 20 5 FFBDHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000588100316 518725131 /nfs/dbraw/zinc/72/51/31/518725131.db2.gz YFBBLHGUMPUVMB-UHFFFAOYSA-N -1 3 364.741 2.922 20 5 FFBDHM CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(OCC(=O)[O-])cc1 ZINC000565112264 518793471 /nfs/dbraw/zinc/79/34/71/518793471.db2.gz RIOKWYHLNTXROK-UHFFFAOYSA-N -1 3 360.366 2.569 20 5 FFBDHM C[C@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000573976412 518928734 /nfs/dbraw/zinc/92/87/34/518928734.db2.gz AOHZYNZDTWCOTE-IBGZPJMESA-N -1 3 355.394 2.695 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3cc(N)ccc32)c1C ZINC000569140781 519399497 /nfs/dbraw/zinc/39/94/97/519399497.db2.gz NSJIJQTYJPHXRQ-OAHLLOKOSA-N -1 3 361.423 2.760 20 5 FFBDHM Cc1nnc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])n1C1CC1 ZINC000599921878 519952883 /nfs/dbraw/zinc/95/28/83/519952883.db2.gz WPZLDPZAWCPXFW-UHFFFAOYSA-N -1 3 366.175 2.844 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c1C ZINC000594473045 519982472 /nfs/dbraw/zinc/98/24/72/519982472.db2.gz IYEFPUWMEIKCKB-HOTGVXAUSA-N -1 3 368.455 2.838 20 5 FFBDHM CCCCOCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594744734 520128266 /nfs/dbraw/zinc/12/82/66/520128266.db2.gz NMJGSHPSHIHXCC-UHFFFAOYSA-N -1 3 367.427 2.628 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000594773265 520148637 /nfs/dbraw/zinc/14/86/37/520148637.db2.gz PCAAPXJHVMYRFA-LLVKDONJSA-N -1 3 367.452 2.707 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1ccccc1SCCC(N)=O ZINC000609407743 520304252 /nfs/dbraw/zinc/30/42/52/520304252.db2.gz MUSQBPATKTZKES-UHFFFAOYSA-N -1 3 360.395 2.518 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000613267705 520418747 /nfs/dbraw/zinc/41/87/47/520418747.db2.gz ZDXRSIGBDPZNDS-UHFFFAOYSA-N -1 3 355.803 2.791 20 5 FFBDHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000598195192 520486423 /nfs/dbraw/zinc/48/64/23/520486423.db2.gz LWZYIPDZUWZMTN-MRXNPFEDSA-N -1 3 369.421 2.689 20 5 FFBDHM CCc1ccc([C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000592967047 520663872 /nfs/dbraw/zinc/66/38/72/520663872.db2.gz DWILONIBGDEZMI-INIZCTEOSA-N -1 3 358.398 2.965 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)c([N+](=O)[O-])s1 ZINC000601444586 520788887 /nfs/dbraw/zinc/78/88/87/520788887.db2.gz UYFAJJOCVJQPFO-GFCCVEGCSA-N -1 3 354.409 2.515 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000610711788 520808332 /nfs/dbraw/zinc/80/83/32/520808332.db2.gz IGXFASDJMSIICB-NSHDSACASA-N -1 3 354.771 2.660 20 5 FFBDHM O=C(CCc1ccccc1)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078799 520899423 /nfs/dbraw/zinc/89/94/23/520899423.db2.gz ZZNCFUMCLDFYGF-UHFFFAOYSA-N -1 3 370.409 2.731 20 5 FFBDHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000593331588 520915165 /nfs/dbraw/zinc/91/51/65/520915165.db2.gz GXCLGRGGUSKQIP-JTQLQIEISA-N -1 3 362.329 2.542 20 5 FFBDHM COc1cc(CCNC(=O)c2c(C)cccc2[O-])c([N+](=O)[O-])cc1OC ZINC000598985663 520961024 /nfs/dbraw/zinc/96/10/24/520961024.db2.gz XYBSWSXCGHXAEG-UHFFFAOYSA-N -1 3 360.366 2.599 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000593560125 521076896 /nfs/dbraw/zinc/07/68/96/521076896.db2.gz PUFWLOLJGRTVFT-NXEZZACHSA-N -1 3 367.349 2.637 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)c(F)c1 ZINC000599413330 521205777 /nfs/dbraw/zinc/20/57/77/521205777.db2.gz WJMUYAZJNOYZFK-INIZCTEOSA-N -1 3 365.386 2.949 20 5 FFBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611557599 521219560 /nfs/dbraw/zinc/21/95/60/521219560.db2.gz GPHSMYFLUWTVJO-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)cc1 ZINC000599503035 521263406 /nfs/dbraw/zinc/26/34/06/521263406.db2.gz OVCLNUJAGRHNCM-UHFFFAOYSA-N -1 3 352.334 2.996 20 5 FFBDHM COc1ccc(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)cc1F ZINC000618927080 521299290 /nfs/dbraw/zinc/29/92/90/521299290.db2.gz LIZSXRAAIGYHPS-UHFFFAOYSA-N -1 3 363.330 2.841 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(F)c(C)c1 ZINC000619474608 521587374 /nfs/dbraw/zinc/58/73/74/521587374.db2.gz IJMUOTBJORLMAV-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000619478461 521588943 /nfs/dbraw/zinc/58/89/43/521588943.db2.gz ODIGORZMWVENHO-CYBMUJFWSA-N -1 3 366.370 2.708 20 5 FFBDHM O=C(Cn1ncc2ccccc21)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000502969896 561631350 /nfs/dbraw/zinc/63/13/50/561631350.db2.gz NFWWZASTKKGRHL-UHFFFAOYSA-N -1 3 362.349 2.973 20 5 FFBDHM Cn1cc(C(C)(C)C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cn1 ZINC000541515658 562613966 /nfs/dbraw/zinc/61/39/66/562613966.db2.gz TUXMFRBEAYYXIH-UHFFFAOYSA-N -1 3 354.370 2.635 20 5 FFBDHM Cc1c2ccccc2oc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737216704 599058837 /nfs/dbraw/zinc/05/88/37/599058837.db2.gz WWKRYYUCYLOSGU-UHFFFAOYSA-N -1 3 351.326 2.837 20 5 FFBDHM Cc1c2ccccc2oc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737216704 599058838 /nfs/dbraw/zinc/05/88/38/599058838.db2.gz WWKRYYUCYLOSGU-UHFFFAOYSA-N -1 3 351.326 2.837 20 5 FFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738232095 598432219 /nfs/dbraw/zinc/43/22/19/598432219.db2.gz FWZZVKWUEKCURC-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738232095 598432220 /nfs/dbraw/zinc/43/22/20/598432220.db2.gz FWZZVKWUEKCURC-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM Cc1ccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000737333446 598537838 /nfs/dbraw/zinc/53/78/38/598537838.db2.gz BJYMKKGOYGACKN-LBPRGKRZSA-N -1 3 353.386 2.830 20 5 FFBDHM Cc1ccc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000737333446 598537840 /nfs/dbraw/zinc/53/78/40/598537840.db2.gz BJYMKKGOYGACKN-LBPRGKRZSA-N -1 3 353.386 2.830 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000738152584 598663789 /nfs/dbraw/zinc/66/37/89/598663789.db2.gz XWDUMYKIKQBHOD-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000738152584 598663791 /nfs/dbraw/zinc/66/37/91/598663791.db2.gz XWDUMYKIKQBHOD-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2c(F)cccc2[N+](=O)[O-])n1 ZINC000737470715 598733917 /nfs/dbraw/zinc/73/39/17/598733917.db2.gz KYOXBFPMJFMTNK-UHFFFAOYSA-N -1 3 361.362 2.613 20 5 FFBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738206774 599370637 /nfs/dbraw/zinc/37/06/37/599370637.db2.gz GXZCZOGARNMIEK-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738206774 599370640 /nfs/dbraw/zinc/37/06/40/599370640.db2.gz GXZCZOGARNMIEK-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000738370835 599399002 /nfs/dbraw/zinc/39/90/02/599399002.db2.gz QVWCOHLEINCUBO-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000738370835 599399005 /nfs/dbraw/zinc/39/90/05/599399005.db2.gz QVWCOHLEINCUBO-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000738358967 599417527 /nfs/dbraw/zinc/41/75/27/599417527.db2.gz GXXRTIIJSXXGQX-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000738358967 599417531 /nfs/dbraw/zinc/41/75/31/599417531.db2.gz GXXRTIIJSXXGQX-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322165 599499063 /nfs/dbraw/zinc/49/90/63/599499063.db2.gz RLXXRSOTUDDWLS-UMAGTOLTSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322165 599499066 /nfs/dbraw/zinc/49/90/66/599499066.db2.gz RLXXRSOTUDDWLS-UMAGTOLTSA-N -1 3 364.365 2.666 20 5 FFBDHM COc1ccc([C@H](C)CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821777950 599588665 /nfs/dbraw/zinc/58/86/65/599588665.db2.gz PMFQVPDSRWNQPK-LLVKDONJSA-N -1 3 369.385 2.784 20 5 FFBDHM COc1ccc([C@H](C)CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821777950 599588667 /nfs/dbraw/zinc/58/86/67/599588667.db2.gz PMFQVPDSRWNQPK-LLVKDONJSA-N -1 3 369.385 2.784 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000826254329 607411817 /nfs/dbraw/zinc/41/18/17/607411817.db2.gz GMCLYBMRRQHREJ-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cccc([N+](=O)[O-])c1C ZINC000826254329 607411819 /nfs/dbraw/zinc/41/18/19/607411819.db2.gz GMCLYBMRRQHREJ-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826254202 607445605 /nfs/dbraw/zinc/44/56/05/607445605.db2.gz ZMZFGUFLXXAACU-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000826254202 607445606 /nfs/dbraw/zinc/44/56/06/607445606.db2.gz ZMZFGUFLXXAACU-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=C([O-])N1CCC(N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C2CC2)CC1 ZINC000831941311 603570742 /nfs/dbraw/zinc/57/07/42/603570742.db2.gz AJELLXZQPLOUEE-UHFFFAOYSA-N -1 3 360.370 2.843 20 5 FFBDHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000825134983 607701031 /nfs/dbraw/zinc/70/10/31/607701031.db2.gz YBCXPPCMZYXKIH-MRXNPFEDSA-N -1 3 366.381 2.964 20 5 FFBDHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000825134983 607701033 /nfs/dbraw/zinc/70/10/33/607701033.db2.gz YBCXPPCMZYXKIH-MRXNPFEDSA-N -1 3 366.381 2.964 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000826497700 607735301 /nfs/dbraw/zinc/73/53/01/607735301.db2.gz QNSCFEGJGSBYEL-INIZCTEOSA-N -1 3 366.381 2.701 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1([C@@H](O)c2ccccc2)CC1 ZINC000826497700 607735302 /nfs/dbraw/zinc/73/53/02/607735302.db2.gz QNSCFEGJGSBYEL-INIZCTEOSA-N -1 3 366.381 2.701 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821695246 606136579 /nfs/dbraw/zinc/13/65/79/606136579.db2.gz PDXYDGZZVWPMHH-UHFFFAOYSA-N -1 3 354.370 2.558 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821695246 606136581 /nfs/dbraw/zinc/13/65/81/606136581.db2.gz PDXYDGZZVWPMHH-UHFFFAOYSA-N -1 3 354.370 2.558 20 5 FFBDHM CCCCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821072173 606402986 /nfs/dbraw/zinc/40/29/86/606402986.db2.gz RNFAWSYZTMMSCP-OLZOCXBDSA-N -1 3 361.406 2.566 20 5 FFBDHM CCCCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821072173 606402987 /nfs/dbraw/zinc/40/29/87/606402987.db2.gz RNFAWSYZTMMSCP-OLZOCXBDSA-N -1 3 361.406 2.566 20 5 FFBDHM CN(C(=O)c1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574399 606412401 /nfs/dbraw/zinc/41/24/01/606412401.db2.gz FHVUARCEZUAIEJ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574399 606412402 /nfs/dbraw/zinc/41/24/02/606412402.db2.gz FHVUARCEZUAIEJ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM C[C@@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820804440 606474762 /nfs/dbraw/zinc/47/47/62/606474762.db2.gz SJHDXLTXMUNYNC-PXAZEXFGSA-N -1 3 366.381 2.741 20 5 FFBDHM C[C@@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820804440 606474763 /nfs/dbraw/zinc/47/47/63/606474763.db2.gz SJHDXLTXMUNYNC-PXAZEXFGSA-N -1 3 366.381 2.741 20 5 FFBDHM CCc1ccc([C@@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821481802 606475521 /nfs/dbraw/zinc/47/55/21/606475521.db2.gz OMPNPNZJJWPMNG-HNNXBMFYSA-N -1 3 370.369 2.508 20 5 FFBDHM CCc1ccc([C@@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821481802 606475522 /nfs/dbraw/zinc/47/55/22/606475522.db2.gz OMPNPNZJJWPMNG-HNNXBMFYSA-N -1 3 370.369 2.508 20 5 FFBDHM CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(CC)CC ZINC000821359535 606477352 /nfs/dbraw/zinc/47/73/52/606477352.db2.gz NVUJXAPHFVLZSR-STQMWFEESA-N -1 3 361.406 2.566 20 5 FFBDHM CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(CC)CC ZINC000821359535 606477354 /nfs/dbraw/zinc/47/73/54/606477354.db2.gz NVUJXAPHFVLZSR-STQMWFEESA-N -1 3 361.406 2.566 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822195548 606495150 /nfs/dbraw/zinc/49/51/50/606495150.db2.gz VVYSBWHOSGSHNF-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822195548 606495151 /nfs/dbraw/zinc/49/51/51/606495151.db2.gz VVYSBWHOSGSHNF-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000823640180 606801397 /nfs/dbraw/zinc/80/13/97/606801397.db2.gz WRHALPDYRFBPFD-UHFFFAOYSA-N -1 3 371.788 2.924 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000823640180 606801400 /nfs/dbraw/zinc/80/14/00/606801400.db2.gz WRHALPDYRFBPFD-UHFFFAOYSA-N -1 3 371.788 2.924 20 5 FFBDHM COc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1F ZINC000821720489 606919400 /nfs/dbraw/zinc/91/94/00/606919400.db2.gz SYLOEWTVZPAYRL-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM COc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1F ZINC000821720489 606919402 /nfs/dbraw/zinc/91/94/02/606919402.db2.gz SYLOEWTVZPAYRL-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC(Cc3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000823647703 606947428 /nfs/dbraw/zinc/94/74/28/606947428.db2.gz OKEIDZREXXECFN-UHFFFAOYSA-N -1 3 371.788 2.502 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC(Cc3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000823647703 606947429 /nfs/dbraw/zinc/94/74/29/606947429.db2.gz OKEIDZREXXECFN-UHFFFAOYSA-N -1 3 371.788 2.502 20 5 FFBDHM C[C@H](O)C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820473877 607045828 /nfs/dbraw/zinc/04/58/28/607045828.db2.gz NKMLSFNWPHRIFL-GXTWGEPZSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@H](O)C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820473877 607045830 /nfs/dbraw/zinc/04/58/30/607045830.db2.gz NKMLSFNWPHRIFL-GXTWGEPZSA-N -1 3 368.397 2.742 20 5 FFBDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000822177442 607189049 /nfs/dbraw/zinc/18/90/49/607189049.db2.gz ZOELBILJIFPCEY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000822177442 607189050 /nfs/dbraw/zinc/18/90/50/607189050.db2.gz ZOELBILJIFPCEY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822271163 607241415 /nfs/dbraw/zinc/24/14/15/607241415.db2.gz OXYKRZACYZTYOZ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822271163 607241416 /nfs/dbraw/zinc/24/14/16/607241416.db2.gz OXYKRZACYZTYOZ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823319430 607243349 /nfs/dbraw/zinc/24/33/49/607243349.db2.gz VHRGKWBXWBDFCO-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(F)cc([N+](=O)[O-])c1 ZINC000823319430 607243350 /nfs/dbraw/zinc/24/33/50/607243350.db2.gz VHRGKWBXWBDFCO-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823449979 607248331 /nfs/dbraw/zinc/24/83/31/607248331.db2.gz GWYAQYWTIJCARG-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823449979 607248332 /nfs/dbraw/zinc/24/83/32/607248332.db2.gz GWYAQYWTIJCARG-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1c(-c3nnn[n-]3)cnc3ccccc31)C2 ZINC000826500256 607937936 /nfs/dbraw/zinc/93/79/36/607937936.db2.gz QGKQVPKTKWINMV-UHFFFAOYSA-N -1 3 373.376 2.886 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1c(-c3nn[n-]n3)cnc3ccccc31)C2 ZINC000826500256 607937937 /nfs/dbraw/zinc/93/79/37/607937937.db2.gz QGKQVPKTKWINMV-UHFFFAOYSA-N -1 3 373.376 2.886 20 5 FFBDHM O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473726 607952991 /nfs/dbraw/zinc/95/29/91/607952991.db2.gz KSMMDGXGXADDFI-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473726 607952992 /nfs/dbraw/zinc/95/29/92/607952992.db2.gz KSMMDGXGXADDFI-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM CC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942545 608141694 /nfs/dbraw/zinc/14/16/94/608141694.db2.gz FWMNOPIFZCQATD-XFXZXTDPSA-N -1 3 365.349 2.922 20 5 FFBDHM CC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942545 608141695 /nfs/dbraw/zinc/14/16/95/608141695.db2.gz FWMNOPIFZCQATD-XFXZXTDPSA-N -1 3 365.349 2.922 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000826173265 608265488 /nfs/dbraw/zinc/26/54/88/608265488.db2.gz VOMCXZFEXIZUBM-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000826173265 608265490 /nfs/dbraw/zinc/26/54/90/608265490.db2.gz VOMCXZFEXIZUBM-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM Cc1nn(Cc2cccc(-c3nnn[n-]3)c2F)c2ccc([N+](=O)[O-])cc12 ZINC000826335114 609517893 /nfs/dbraw/zinc/51/78/93/609517893.db2.gz YUYCETCJBHWIOD-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM Cc1nn(Cc2cccc(-c3nn[n-]n3)c2F)c2ccc([N+](=O)[O-])cc12 ZINC000826335114 609517895 /nfs/dbraw/zinc/51/78/95/609517895.db2.gz YUYCETCJBHWIOD-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000537546689 673393385 /nfs/dbraw/zinc/39/33/85/673393385.db2.gz UEUQJSOHTCFYNG-SECBINFHSA-N -1 3 364.383 2.614 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000537546689 673393389 /nfs/dbraw/zinc/39/33/89/673393389.db2.gz UEUQJSOHTCFYNG-SECBINFHSA-N -1 3 364.383 2.614 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c(F)c1 ZINC000134649958 728731834 /nfs/dbraw/zinc/73/18/34/728731834.db2.gz NACSKDIQMMAXME-LLVKDONJSA-N -1 3 358.391 2.504 20 5 FFBDHM CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000175697367 729099947 /nfs/dbraw/zinc/09/99/47/729099947.db2.gz FYGJXQDNIMKRQL-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000742330548 735229002 /nfs/dbraw/zinc/22/90/02/735229002.db2.gz VZCCEXSPHRUOTD-UWVGGRQHSA-N -1 3 350.849 2.811 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)c(C)c([N+](=O)[O-])c1 ZINC000792627450 739687660 /nfs/dbraw/zinc/68/76/60/739687660.db2.gz RQOYJHNDWZQVPA-UHFFFAOYSA-N -1 3 365.323 2.912 20 5 FFBDHM O=C([N-]OC/C=C\Cl)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000794291132 739872437 /nfs/dbraw/zinc/87/24/37/739872437.db2.gz RMYXIESSWZSQHM-UPHRSURJSA-N -1 3 353.531 2.910 20 5 FFBDHM O=C(Nc1nc2ccc(Cl)nc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816431569 742029127 /nfs/dbraw/zinc/02/91/27/742029127.db2.gz MHSOXRHVJPJCBO-UHFFFAOYSA-N -1 3 351.731 2.606 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cc([N+](=O)[O-])ccc1Br ZINC000839440409 746828652 /nfs/dbraw/zinc/82/86/52/746828652.db2.gz RSYJDAOVQAZSEH-UHFFFAOYSA-N -1 3 366.175 2.537 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000848510497 748946505 /nfs/dbraw/zinc/94/65/05/748946505.db2.gz TXEPIJRAFUUAEN-STQMWFEESA-N -1 3 373.862 2.543 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c1 ZINC000849460203 749165012 /nfs/dbraw/zinc/16/50/12/749165012.db2.gz HKGKIAXLKYCXSZ-LLVKDONJSA-N -1 3 354.762 2.880 20 5 FFBDHM COc1ccc(CCC(=O)[N-]OCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000871797766 1013067035 /nfs/dbraw/zinc/06/70/35/1013067035.db2.gz BYYSVXBXQNMERU-UHFFFAOYSA-N -1 3 360.366 2.793 20 5 FFBDHM Cc1ccc(C2CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cn1 ZINC000826285845 947825160 /nfs/dbraw/zinc/82/51/60/947825160.db2.gz LKNQBDODNFOQDZ-UHFFFAOYSA-N -1 3 365.397 2.862 20 5 FFBDHM Cc1ccc(C2CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cn1 ZINC000826285845 947825167 /nfs/dbraw/zinc/82/51/67/947825167.db2.gz LKNQBDODNFOQDZ-UHFFFAOYSA-N -1 3 365.397 2.862 20 5 FFBDHM CCOC(=O)c1nc(Cl)nc([N-][C@H](CC)C(F)(F)F)c1[N+](=O)[O-] ZINC001161374979 965167168 /nfs/dbraw/zinc/16/71/68/965167168.db2.gz MMUSEOJPEYDDCT-RXMQYKEDSA-N -1 3 356.688 2.968 20 5 FFBDHM C[C@H](CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC001592729002 979240029 /nfs/dbraw/zinc/24/00/29/979240029.db2.gz IYPLYMMNLYYOFV-GFCCVEGCSA-N -1 3 371.393 2.886 20 5 FFBDHM C[C@@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000910453492 981950658 /nfs/dbraw/zinc/95/06/58/981950658.db2.gz AJVDXZGYKZLPNM-CQSZACIVSA-N -1 3 370.409 2.642 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000129889217 990435924 /nfs/dbraw/zinc/43/59/24/990435924.db2.gz OZPRYCNYCHNGBD-UHFFFAOYSA-N -1 3 352.350 2.877 20 5 FFBDHM C[C@](NCCC(=O)OCc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593262312 994553681 /nfs/dbraw/zinc/55/36/81/994553681.db2.gz RIMAAWZHRXZAQV-LJQANCHMSA-N -1 3 372.377 2.618 20 5 FFBDHM COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598786650 996035110 /nfs/dbraw/zinc/03/51/10/996035110.db2.gz DNRYRMRAOQXXPP-CXAGYDPISA-N -1 3 350.371 2.505 20 5 FFBDHM COc1cc(CNC2(CC(=O)[O-])CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001599416210 997515458 /nfs/dbraw/zinc/51/54/58/997515458.db2.gz OCINIDOEZPGOKK-UHFFFAOYSA-N -1 3 374.340 2.734 20 5 FFBDHM COc1ccc(CC(=O)[N-]OCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000732806278 998780528 /nfs/dbraw/zinc/78/05/28/998780528.db2.gz AQPMYCZFSMAHNT-UHFFFAOYSA-N -1 3 360.366 2.711 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(NC(C)=O)c(F)cc2F)c1[N+](=O)[O-] ZINC000737818086 999609080 /nfs/dbraw/zinc/60/90/80/999609080.db2.gz FFGNUTDYOVPALW-UHFFFAOYSA-N -1 3 367.312 2.759 20 5 FFBDHM CCOC(=O)N(C)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000770262036 1000721130 /nfs/dbraw/zinc/72/11/30/1000721130.db2.gz OFRBUAALEYNSCX-UHFFFAOYSA-N -1 3 360.326 2.540 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c([O-])c1 ZINC000770868282 1000932128 /nfs/dbraw/zinc/93/21/28/1000932128.db2.gz OPZKGVGHFIPSRD-UHFFFAOYSA-N -1 3 359.338 2.620 20 5 FFBDHM Cc1ccc(-n2cnc3c2CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C3)cc1 ZINC001186335846 1003293945 /nfs/dbraw/zinc/29/39/45/1003293945.db2.gz RTRZGSBSXOIFOY-UHFFFAOYSA-N -1 3 351.366 2.752 20 5 FFBDHM CCOC(=O)c1cnn(-c2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)ccn2)c1 ZINC001199814084 1005033911 /nfs/dbraw/zinc/03/39/11/1005033911.db2.gz DPFBIPLGBHNJCJ-UHFFFAOYSA-N -1 3 369.337 2.801 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])s1 ZINC001187538347 1006132453 /nfs/dbraw/zinc/13/24/53/1006132453.db2.gz SEAIPFQNNGEKSM-AAEUAGOBSA-N -1 3 362.473 2.694 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000853479765 1006405278 /nfs/dbraw/zinc/40/52/78/1006405278.db2.gz SDZKIFFKRHIRFZ-QGZVFWFLSA-N -1 3 364.402 2.533 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3ccncc3Br)no2)cc1[N+](=O)[O-] ZINC001212844453 1009549292 /nfs/dbraw/zinc/54/92/92/1009549292.db2.gz UTIFWKFMISTJOP-UHFFFAOYSA-N -1 3 364.115 2.570 20 5 FFBDHM CC(C)c1[nH]nc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1[N+](=O)[O-] ZINC000796254757 1011525575 /nfs/dbraw/zinc/52/55/75/1011525575.db2.gz FCHGJBPKLNOMDT-UHFFFAOYSA-N -1 3 373.325 2.554 20 5 FFBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(F)cc2[n-]nnc21 ZINC000800263160 1020171809 /nfs/dbraw/zinc/17/18/09/1020171809.db2.gz SMWNLOPMRANNEY-UHFFFAOYSA-N -1 3 357.257 2.503 20 5 FFBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(F)cc2nn[n-]c21 ZINC000800263160 1020171821 /nfs/dbraw/zinc/17/18/21/1020171821.db2.gz SMWNLOPMRANNEY-UHFFFAOYSA-N -1 3 357.257 2.503 20 5 FFBDHM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(F)cc2n[n-]nc21 ZINC000800263160 1020171830 /nfs/dbraw/zinc/17/18/30/1020171830.db2.gz SMWNLOPMRANNEY-UHFFFAOYSA-N -1 3 357.257 2.503 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000778796096 1022383048 /nfs/dbraw/zinc/38/30/48/1022383048.db2.gz VVZRDFKPIVKMIE-LBPRGKRZSA-N -1 3 358.350 2.643 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC000157782489 1022459876 /nfs/dbraw/zinc/45/98/76/1022459876.db2.gz DUKUNAIALWUEHD-JXMROGBWSA-N -1 3 366.333 2.910 20 5 FFBDHM O=c1cccc2oc3cc([O-])c(O[C@H]4C[NH2+]CCC4(F)F)cc3c([O-])c1-2 ZINC001218447932 1033161080 /nfs/dbraw/zinc/16/10/80/1033161080.db2.gz KHLBKXCWIDCBFI-HNNXBMFYSA-N -1 3 363.316 2.733 20 5 FFBDHM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157232821 1029514528 /nfs/dbraw/zinc/51/45/28/1029514528.db2.gz GCVLOVIODRNUIP-RXMQYKEDSA-N -1 3 363.683 2.876 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001149789245 1031594491 /nfs/dbraw/zinc/59/44/91/1031594491.db2.gz JYMKPSMDEQVXJM-UHFFFAOYSA-N -1 3 356.382 2.905 20 5 FFBDHM C/C=C\C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC001138130598 1033817314 /nfs/dbraw/zinc/81/73/14/1033817314.db2.gz BAUWNFXBIPQTAM-DXTPNHAXSA-N -1 3 356.325 2.701 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@@H](Oc2c([O-])cccc2[N+](=O)[O-])C(F)(F)C1 ZINC001226334370 1034632826 /nfs/dbraw/zinc/63/28/26/1034632826.db2.gz TYLKCSYBVBPHRR-LLVKDONJSA-N -1 3 360.313 2.934 20 5 FFBDHM O=c1nc2cnccc2c(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001226975985 1034899535 /nfs/dbraw/zinc/89/95/35/1034899535.db2.gz GVCCDTNANZTEQN-LBPRGKRZSA-N -1 3 366.255 2.909 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3[nH]c(=S)nc4nc[n-]c43)CC2)cc1 ZINC001227613130 1035638076 /nfs/dbraw/zinc/63/80/76/1035638076.db2.gz RSOVVOPEWRHETM-UHFFFAOYSA-N -1 3 372.410 2.598 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(OC3CCN(c4ccc(Cl)nn4)CC3)[n-]c2c1 ZINC001227743954 1035711950 /nfs/dbraw/zinc/71/19/50/1035711950.db2.gz CGRAMHOQZCKKRK-UHFFFAOYSA-N -1 3 374.788 2.962 20 5 FFBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCN(c4ccc(Cl)nn4)CC3)nc2c1 ZINC001227743954 1035711961 /nfs/dbraw/zinc/71/19/61/1035711961.db2.gz CGRAMHOQZCKKRK-UHFFFAOYSA-N -1 3 374.788 2.962 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])s1 ZINC001208385648 1038273476 /nfs/dbraw/zinc/27/34/76/1038273476.db2.gz JTNCESGOAHMGRJ-ZYHUDNBSSA-N -1 3 362.473 2.838 20 5 FFBDHM CC(C)[C@](C)(Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213391295 1040504268 /nfs/dbraw/zinc/50/42/68/1040504268.db2.gz NCGNPJJHAKUZDB-KRWDZBQOSA-N -1 3 363.439 2.926 20 5 FFBDHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329070755 1048569038 /nfs/dbraw/zinc/56/90/38/1048569038.db2.gz YLQZKSNFUHXQEO-UHFFFAOYSA-N -1 3 371.299 2.871 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303256329 1051314502 /nfs/dbraw/zinc/31/45/02/1051314502.db2.gz GUEJMLLSJVCSIV-UHFFFAOYSA-N -1 3 370.365 2.523 20 5 FFBDHM O=C(NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)OCc1ccccc1 ZINC001307189436 1052264052 /nfs/dbraw/zinc/26/40/52/1052264052.db2.gz GFZCSFMCODZKAL-UHFFFAOYSA-N -1 3 372.381 2.591 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001455384979 1059774377 /nfs/dbraw/zinc/77/43/77/1059774377.db2.gz CDSONVPIMYUQKF-UHFFFAOYSA-N -1 3 374.784 2.706 20 5 FFBDHM O=c1[n-]ccc(Sc2nnc3ccc(Br)cn32)c1[N+](=O)[O-] ZINC001458391416 1060579591 /nfs/dbraw/zinc/57/95/91/1060579591.db2.gz FZVWTEPSSNMAOD-UHFFFAOYSA-N -1 3 368.172 2.652 20 5 FFBDHM Cc1ccsc1CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001475139526 1060962342 /nfs/dbraw/zinc/96/23/42/1060962342.db2.gz ZUZGEXDMNWXALS-UHFFFAOYSA-N -1 3 358.416 2.933 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC001463978446 1062361000 /nfs/dbraw/zinc/36/10/00/1062361000.db2.gz WENZTZFQKYFFBC-AAEUAGOBSA-N -1 3 360.457 2.591 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CF)c1ccc(F)cc1 ZINC001464328015 1062549039 /nfs/dbraw/zinc/54/90/39/1062549039.db2.gz GMOYHNKBWFHQOA-LBPRGKRZSA-N -1 3 372.349 2.732 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)c(F)c1 ZINC001464605257 1062712060 /nfs/dbraw/zinc/71/20/60/1062712060.db2.gz DAESYSLXTQGRIP-HNNXBMFYSA-N -1 3 351.359 2.559 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC(C)(C)O2)c(F)cc1[N+](=O)[O-] ZINC001464736183 1062793093 /nfs/dbraw/zinc/79/30/93/1062793093.db2.gz ACVCDBLAFGLABL-LLVKDONJSA-N -1 3 360.407 2.668 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC001468752922 1064031392 /nfs/dbraw/zinc/03/13/92/1064031392.db2.gz KYBDHHUMVZVEIE-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC001468752922 1064031395 /nfs/dbraw/zinc/03/13/95/1064031395.db2.gz KYBDHHUMVZVEIE-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cc2c(cc1[O-])OCO2 ZINC001470812057 1064459610 /nfs/dbraw/zinc/45/96/10/1064459610.db2.gz PESQYYZDXCHNNA-UHFFFAOYSA-N -1 3 368.704 2.752 20 5 FFBDHM COc1cc(CNc2ccn(-c3ncccc3F)n2)c([N+](=O)[O-])cc1[O-] ZINC001474074990 1065451797 /nfs/dbraw/zinc/45/17/97/1065451797.db2.gz KJUIZRFCPOPISK-UHFFFAOYSA-N -1 3 359.317 2.641 20 5 FFBDHM COc1c([O-])ccc(CN2CCC(=O)Nc3cc(F)ccc32)c1[N+](=O)[O-] ZINC001474556249 1065551494 /nfs/dbraw/zinc/55/14/94/1065551494.db2.gz DTDCZSKEHAJBGX-UHFFFAOYSA-N -1 3 361.329 2.797 20 5 FFBDHM C[C@H]1c2ccccc2OCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576398657 1078224652 /nfs/dbraw/zinc/22/46/52/1078224652.db2.gz MDVMWGUCDDDOTF-LBPRGKRZSA-N -1 3 366.381 2.731 20 5 FFBDHM C[C@H]1c2ccccc2OCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576398657 1078224653 /nfs/dbraw/zinc/22/46/53/1078224653.db2.gz MDVMWGUCDDDOTF-LBPRGKRZSA-N -1 3 366.381 2.731 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001578398130 1078469794 /nfs/dbraw/zinc/46/97/94/1078469794.db2.gz OWTXKFAUFADBEL-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001578398130 1078469797 /nfs/dbraw/zinc/46/97/97/1078469797.db2.gz OWTXKFAUFADBEL-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001579063765 1078567030 /nfs/dbraw/zinc/56/70/30/1078567030.db2.gz KZJIUBIDLAYHFX-HNNXBMFYSA-N -1 3 374.788 2.598 20 5 FFBDHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001579063765 1078567036 /nfs/dbraw/zinc/56/70/36/1078567036.db2.gz KZJIUBIDLAYHFX-HNNXBMFYSA-N -1 3 374.788 2.598 20 5 FFBDHM CSc1ccc(CNc2nc(C)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001580235693 1078771568 /nfs/dbraw/zinc/77/15/68/1078771568.db2.gz XJOASBSWXNSJGJ-UHFFFAOYSA-N -1 3 357.399 2.812 20 5 FFBDHM CSc1ccc(CNc2nc(C)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001580235693 1078771574 /nfs/dbraw/zinc/77/15/74/1078771574.db2.gz XJOASBSWXNSJGJ-UHFFFAOYSA-N -1 3 357.399 2.812 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001580612186 1078836200 /nfs/dbraw/zinc/83/62/00/1078836200.db2.gz KGHQRIXBXSFWLE-GFCCVEGCSA-N -1 3 366.381 2.883 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001580612186 1078836205 /nfs/dbraw/zinc/83/62/05/1078836205.db2.gz KGHQRIXBXSFWLE-GFCCVEGCSA-N -1 3 366.381 2.883 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001581135914 1078922525 /nfs/dbraw/zinc/92/25/25/1078922525.db2.gz UTLDVLRKHIACTC-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001581135914 1078922528 /nfs/dbraw/zinc/92/25/28/1078922528.db2.gz UTLDVLRKHIACTC-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC[C@H]1CC1(Cl)Cl ZINC001582803338 1079108451 /nfs/dbraw/zinc/10/84/51/1079108451.db2.gz CRXNCYLYDVVVCT-LURJTMIESA-N -1 3 361.164 2.910 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC[C@H]1CC1(Cl)Cl ZINC001582803338 1079108455 /nfs/dbraw/zinc/10/84/55/1079108455.db2.gz CRXNCYLYDVVVCT-LURJTMIESA-N -1 3 361.164 2.910 20 5 FFBDHM O=[N+]([O-])c1ccc2oc(CNc3cc(F)cc(-c4nnn[n-]4)c3)nc2c1 ZINC001582803959 1079109967 /nfs/dbraw/zinc/10/99/67/1079109967.db2.gz DZNDZKDTBMSJAO-UHFFFAOYSA-N -1 3 355.289 2.667 20 5 FFBDHM O=[N+]([O-])c1ccc2oc(CNc3cc(F)cc(-c4nn[n-]n4)c3)nc2c1 ZINC001582803959 1079109971 /nfs/dbraw/zinc/10/99/71/1079109971.db2.gz DZNDZKDTBMSJAO-UHFFFAOYSA-N -1 3 355.289 2.667 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[n-]n1 ZINC001558559411 1076032277 /nfs/dbraw/zinc/03/22/77/1076032277.db2.gz ATGKDDRMRGYDMR-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[n-]1 ZINC001558559411 1076032279 /nfs/dbraw/zinc/03/22/79/1076032279.db2.gz ATGKDDRMRGYDMR-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001559223305 1076136724 /nfs/dbraw/zinc/13/67/24/1076136724.db2.gz GCNGTUODAOKGEL-DTWKUNHWSA-N -1 3 365.777 2.819 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001588907084 1080255413 /nfs/dbraw/zinc/25/54/13/1080255413.db2.gz DMFIULAEDZZTFM-UHFFFAOYSA-N -1 3 366.381 2.656 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001588907084 1080255420 /nfs/dbraw/zinc/25/54/20/1080255420.db2.gz DMFIULAEDZZTFM-UHFFFAOYSA-N -1 3 366.381 2.656 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001589011696 1080303199 /nfs/dbraw/zinc/30/31/99/1080303199.db2.gz JOCJFOPZCMHHRL-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001589011696 1080303203 /nfs/dbraw/zinc/30/32/03/1080303203.db2.gz JOCJFOPZCMHHRL-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM CC(C)(C)OCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589197160 1080409977 /nfs/dbraw/zinc/40/99/77/1080409977.db2.gz FTSRXBVXQGBZGY-UHFFFAOYSA-N -1 3 371.401 2.940 20 5 FFBDHM CC(C)(C)OCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001589197160 1080409982 /nfs/dbraw/zinc/40/99/82/1080409982.db2.gz FTSRXBVXQGBZGY-UHFFFAOYSA-N -1 3 371.401 2.940 20 5 FFBDHM CC(C)(C)O[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC001589197606 1080411888 /nfs/dbraw/zinc/41/18/88/1080411888.db2.gz HRCXKEGZJLXCAS-NWDGAFQWSA-N -1 3 361.406 2.564 20 5 FFBDHM CC(C)(C)O[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC001589197606 1080411892 /nfs/dbraw/zinc/41/18/92/1080411892.db2.gz HRCXKEGZJLXCAS-NWDGAFQWSA-N -1 3 361.406 2.564 20 5 FFBDHM CC(C)[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001589476687 1080552929 /nfs/dbraw/zinc/55/29/29/1080552929.db2.gz SXCVETAUPWPJEO-DLBZAZTESA-N -1 3 368.397 2.945 20 5 FFBDHM CC(C)[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001589476687 1080552940 /nfs/dbraw/zinc/55/29/40/1080552940.db2.gz SXCVETAUPWPJEO-DLBZAZTESA-N -1 3 368.397 2.945 20 5 FFBDHM C[C@H](COc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589884821 1080832197 /nfs/dbraw/zinc/83/21/97/1080832197.db2.gz IBOFAEFPXKVYNH-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](COc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589884821 1080832203 /nfs/dbraw/zinc/83/22/03/1080832203.db2.gz IBOFAEFPXKVYNH-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589921536 1080862697 /nfs/dbraw/zinc/86/26/97/1080862697.db2.gz BEJNSECVQVPMCR-ZWLSGLHFSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589921536 1080862703 /nfs/dbraw/zinc/86/27/03/1080862703.db2.gz BEJNSECVQVPMCR-ZWLSGLHFSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001589942399 1080885119 /nfs/dbraw/zinc/88/51/19/1080885119.db2.gz DMUTVSUQZSGNIR-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001589942399 1080885130 /nfs/dbraw/zinc/88/51/30/1080885130.db2.gz DMUTVSUQZSGNIR-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM CC1(C)C[C@@H](NCc2nc(-c3nnn[n-]3)cs2)c2cc([N+](=O)[O-])ccc21 ZINC001590083832 1080997434 /nfs/dbraw/zinc/99/74/34/1080997434.db2.gz KVYJSGRNKYKMLO-GFCCVEGCSA-N -1 3 371.426 2.744 20 5 FFBDHM CC1(C)C[C@@H](NCc2nc(-c3nn[n-]n3)cs2)c2cc([N+](=O)[O-])ccc21 ZINC001590083832 1080997439 /nfs/dbraw/zinc/99/74/39/1080997439.db2.gz KVYJSGRNKYKMLO-GFCCVEGCSA-N -1 3 371.426 2.744 20 5 FFBDHM COCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163161766 251174785 /nfs/dbraw/zinc/17/47/85/251174785.db2.gz RHYUJBRVTQPCQK-UHFFFAOYSA-N -1 3 370.349 2.709 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccco1 ZINC000272392230 252028472 /nfs/dbraw/zinc/02/84/72/252028472.db2.gz ILSPDKWPEWNJEZ-LBPRGKRZSA-N -1 3 372.374 2.691 20 5 FFBDHM O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000311797461 258115634 /nfs/dbraw/zinc/11/56/34/258115634.db2.gz MWKIZOWHVCMISY-HNNXBMFYSA-N -1 3 355.394 2.552 20 5 FFBDHM O=C(c1ccc([O-])cc1)N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301786383 258067616 /nfs/dbraw/zinc/06/76/16/258067616.db2.gz LYZNOEFSFYBMRC-UHFFFAOYSA-N -1 3 363.320 2.541 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000065795211 506368369 /nfs/dbraw/zinc/36/83/69/506368369.db2.gz GBYQXEZSHUJUFH-ZIAGYGMSSA-N -1 3 366.370 2.577 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000366728258 512161524 /nfs/dbraw/zinc/16/15/24/512161524.db2.gz HKJQEVJXIVMTOO-DYVFJYSZSA-N -1 3 355.394 2.551 20 5 FFBDHM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066327605 506481101 /nfs/dbraw/zinc/48/11/01/506481101.db2.gz YHDMDFHEZSUVNP-VIFPVBQESA-N -1 3 369.424 2.654 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000015190146 507023456 /nfs/dbraw/zinc/02/34/56/507023456.db2.gz JQDCGZCTSDGNEP-UHFFFAOYSA-N -1 3 371.328 2.884 20 5 FFBDHM O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046331979 507116918 /nfs/dbraw/zinc/11/69/18/507116918.db2.gz PTWAVZZFXKVDMX-UHFFFAOYSA-N -1 3 365.349 2.616 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000111363284 508093755 /nfs/dbraw/zinc/09/37/55/508093755.db2.gz DPLAFVNRWRNOGM-JTQLQIEISA-N -1 3 355.441 2.962 20 5 FFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000080930119 508113783 /nfs/dbraw/zinc/11/37/83/508113783.db2.gz GRMNZEFTYAKTFG-CQSZACIVSA-N -1 3 355.394 2.819 20 5 FFBDHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cs1 ZINC000102413130 508274913 /nfs/dbraw/zinc/27/49/13/508274913.db2.gz IMZWLBGWORJCGM-UHFFFAOYSA-N -1 3 369.468 2.752 20 5 FFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N(C[C@H]1CCCO1)c1ccncc1 ZINC000114135525 508295815 /nfs/dbraw/zinc/29/58/15/508295815.db2.gz FPJNOMDEERYCRW-CQSZACIVSA-N -1 3 367.365 2.692 20 5 FFBDHM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000152398419 508439096 /nfs/dbraw/zinc/43/90/96/508439096.db2.gz BWYOOXCXEOYFEC-UHFFFAOYSA-N -1 3 356.425 2.842 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000116377331 508504606 /nfs/dbraw/zinc/50/46/06/508504606.db2.gz QIWOUFLZSJLJQG-UHFFFAOYSA-N -1 3 361.832 2.918 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000127861896 508512067 /nfs/dbraw/zinc/51/20/67/508512067.db2.gz UJZVWJFMOKDXFN-UKRRQHHQSA-N -1 3 356.444 2.513 20 5 FFBDHM COc1cc(C)cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000157101982 508522805 /nfs/dbraw/zinc/52/28/05/508522805.db2.gz KOFIQBBVOUOABG-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000117115471 508580295 /nfs/dbraw/zinc/58/02/95/508580295.db2.gz PRUSVKFPIIKSMZ-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000123369568 508676105 /nfs/dbraw/zinc/67/61/05/508676105.db2.gz ZILOFMUPJJNKSF-VXGBXAGGSA-N -1 3 356.400 2.938 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000119000540 508703914 /nfs/dbraw/zinc/70/39/14/508703914.db2.gz FVZUXBZWEMKOGL-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM COc1cccc(CCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123559969 508705741 /nfs/dbraw/zinc/70/57/41/508705741.db2.gz UFHHRRIGSSQWQM-UHFFFAOYSA-N -1 3 370.452 2.884 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000154084259 508714291 /nfs/dbraw/zinc/71/42/91/508714291.db2.gz SFLNQJFFZIWUHV-UHFFFAOYSA-N -1 3 371.440 2.662 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000159671413 508874357 /nfs/dbraw/zinc/87/43/57/508874357.db2.gz JYOOMSCAGHBTEW-JTQLQIEISA-N -1 3 370.452 2.883 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000125122989 508934508 /nfs/dbraw/zinc/93/45/08/508934508.db2.gz APOBKEHCZFWMRF-RISCZKNCSA-N -1 3 362.473 2.694 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000125620624 509008122 /nfs/dbraw/zinc/00/81/22/509008122.db2.gz XAVJPOIBWWBPTH-BYCMXARLSA-N -1 3 350.421 2.581 20 5 FFBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000151568591 509044972 /nfs/dbraw/zinc/04/49/72/509044972.db2.gz SFSLCMLVXNAAGD-UHFFFAOYSA-N -1 3 351.156 2.993 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000132687271 509062553 /nfs/dbraw/zinc/06/25/53/509062553.db2.gz KJWYXFNTZBLQHQ-UHFFFAOYSA-N -1 3 356.313 2.555 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000132686402 509062586 /nfs/dbraw/zinc/06/25/86/509062586.db2.gz OWOMPLRKQACWLJ-UHFFFAOYSA-N -1 3 356.313 2.555 20 5 FFBDHM CC(C)Cn1cnc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175892911 509202675 /nfs/dbraw/zinc/20/26/75/509202675.db2.gz NSWJDERMPXYIDM-UHFFFAOYSA-N -1 3 366.443 2.661 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC000185535848 509226329 /nfs/dbraw/zinc/22/63/29/509226329.db2.gz PLVWCUHQGUGHLN-SECBINFHSA-N -1 3 358.333 2.600 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185535848 509226333 /nfs/dbraw/zinc/22/63/33/509226333.db2.gz PLVWCUHQGUGHLN-SECBINFHSA-N -1 3 358.333 2.600 20 5 FFBDHM COc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000191953588 509260550 /nfs/dbraw/zinc/26/05/50/509260550.db2.gz DNNFOCFCQBWZSF-UHFFFAOYSA-N -1 3 373.409 2.513 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(C(F)(F)F)c1 ZINC000163450411 509378152 /nfs/dbraw/zinc/37/81/52/509378152.db2.gz WULDUXUAVXRILF-VIFPVBQESA-N -1 3 370.374 2.788 20 5 FFBDHM C[S@@](=O)Cc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000163682040 509409845 /nfs/dbraw/zinc/40/98/45/509409845.db2.gz LMNUPZPUSRPVRL-VWLOTQADSA-N -1 3 358.379 2.602 20 5 FFBDHM CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164361985 509493909 /nfs/dbraw/zinc/49/39/09/509493909.db2.gz FHAPHFCAFUYONB-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000173466184 509618930 /nfs/dbraw/zinc/61/89/30/509618930.db2.gz IBFDEUDGWZOKMU-AWEZNQCLSA-N -1 3 367.452 2.930 20 5 FFBDHM CCOCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176673989 509636281 /nfs/dbraw/zinc/63/62/81/509636281.db2.gz BSMNVIHZVXAFPY-UHFFFAOYSA-N -1 3 350.824 2.652 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000183284494 509698328 /nfs/dbraw/zinc/69/83/28/509698328.db2.gz VGNTYIGBWXRRGX-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM Cc1nc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000268503567 509974562 /nfs/dbraw/zinc/97/45/62/509974562.db2.gz QOBVDDKOTJNRAO-UHFFFAOYSA-N -1 3 356.382 2.859 20 5 FFBDHM CC(=O)N(Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)C(C)C ZINC000265435459 510052177 /nfs/dbraw/zinc/05/21/77/510052177.db2.gz NYKZDXNQIPADIV-UHFFFAOYSA-N -1 3 372.381 2.705 20 5 FFBDHM CC(C)n1[n-]cc/c1=N\C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174577417 510188919 /nfs/dbraw/zinc/18/89/19/510188919.db2.gz RKYPNDYOQDEKJC-LVZFUZTISA-N -1 3 373.413 2.869 20 5 FFBDHM Cn1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc2cc(F)ccc21 ZINC000174611252 510205995 /nfs/dbraw/zinc/20/59/95/510205995.db2.gz TZCJWRHGIFZNQL-UHFFFAOYSA-N -1 3 354.301 2.749 20 5 FFBDHM COc1cccc(C)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000194212917 510264191 /nfs/dbraw/zinc/26/41/91/510264191.db2.gz UQNCMIWSTBYUDT-UHFFFAOYSA-N -1 3 350.396 2.896 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184425084 510319222 /nfs/dbraw/zinc/31/92/22/510319222.db2.gz BWZGIJMQTIVYCP-LBPRGKRZSA-N -1 3 355.441 2.930 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)c1 ZINC000178112067 510439765 /nfs/dbraw/zinc/43/97/65/510439765.db2.gz XDWDTNLECMTXPE-UHFFFAOYSA-N -1 3 364.427 2.810 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)c1 ZINC000178112067 510439771 /nfs/dbraw/zinc/43/97/71/510439771.db2.gz XDWDTNLECMTXPE-UHFFFAOYSA-N -1 3 364.427 2.810 20 5 FFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181763839 510579400 /nfs/dbraw/zinc/57/94/00/510579400.db2.gz KIZPWLKASURFHM-OAHLLOKOSA-N -1 3 355.350 2.544 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc([N+](=O)[O-])c1 ZINC000172345467 510681953 /nfs/dbraw/zinc/68/19/53/510681953.db2.gz XBNYQSDTGLEUTD-UHFFFAOYSA-N -1 3 370.321 2.925 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc([N+](=O)[O-])c1 ZINC000172345467 510681956 /nfs/dbraw/zinc/68/19/56/510681956.db2.gz XBNYQSDTGLEUTD-UHFFFAOYSA-N -1 3 370.321 2.925 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCOC[C@@H]2C)c1 ZINC000285569719 510960623 /nfs/dbraw/zinc/96/06/23/510960623.db2.gz KFESPLGVCYTNKR-WDEREUQCSA-N -1 3 362.835 2.508 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000292679708 511683450 /nfs/dbraw/zinc/68/34/50/511683450.db2.gz BSKTZPWVWZUPSO-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)cc1C ZINC000303028225 511724210 /nfs/dbraw/zinc/72/42/10/511724210.db2.gz OYSIDQKOXHJNRL-OAHLLOKOSA-N -1 3 369.487 2.610 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000375878940 512549908 /nfs/dbraw/zinc/54/99/08/512549908.db2.gz WNFPIZDGUPRGRZ-RHSMWYFYSA-N -1 3 362.407 2.651 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCC(C)(C)C ZINC000386274995 512888565 /nfs/dbraw/zinc/88/85/65/512888565.db2.gz PRJAONNXFWNKKG-LLVKDONJSA-N -1 3 372.443 2.875 20 5 FFBDHM C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN(Cc2ccccc2)C1 ZINC000406059370 512973318 /nfs/dbraw/zinc/97/33/18/512973318.db2.gz LYPLNCKUIIQTHO-IBGZPJMESA-N -1 3 355.394 2.695 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000436181180 513786110 /nfs/dbraw/zinc/78/61/10/513786110.db2.gz RSNAZWKLHYSTKU-AWEZNQCLSA-N -1 3 368.386 2.708 20 5 FFBDHM COCC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000416598776 513858364 /nfs/dbraw/zinc/85/83/64/513858364.db2.gz UWHADAQXYJMYFQ-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436671229 513937151 /nfs/dbraw/zinc/93/71/51/513937151.db2.gz JNDVXTHUYZRJFR-KRWDZBQOSA-N -1 3 355.394 2.867 20 5 FFBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436673365 513939090 /nfs/dbraw/zinc/93/90/90/513939090.db2.gz JJBGKWNEDFNZEI-KRWDZBQOSA-N -1 3 355.394 2.867 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000443377810 513954433 /nfs/dbraw/zinc/95/44/33/513954433.db2.gz BPVFYDWBKXWDAP-GFCCVEGCSA-N -1 3 350.396 2.518 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1O ZINC000436808840 513990560 /nfs/dbraw/zinc/99/05/60/513990560.db2.gz IMPKYLSUZNXNCG-UHFFFAOYSA-N -1 3 370.321 2.606 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)c1C ZINC000451812302 513995287 /nfs/dbraw/zinc/99/52/87/513995287.db2.gz CIHNHSLIZFWHKT-HOCLYGCPSA-N -1 3 370.471 2.941 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000451815572 513998744 /nfs/dbraw/zinc/99/87/44/513998744.db2.gz HSUFKSHNVZWZGU-YPMHNXCESA-N -1 3 362.473 2.694 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000451819945 514003217 /nfs/dbraw/zinc/00/32/17/514003217.db2.gz XGAKCYZAAIJYDL-HUUCEWRRSA-N -1 3 370.471 2.941 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000443770746 514039706 /nfs/dbraw/zinc/03/97/06/514039706.db2.gz FCBXAZJRTMCMEQ-CQSZACIVSA-N -1 3 368.798 2.801 20 5 FFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)c(F)c(F)c1 ZINC000426796069 514043828 /nfs/dbraw/zinc/04/38/28/514043828.db2.gz ZPBFIIBVWSASSC-AWEZNQCLSA-N -1 3 354.284 2.798 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000427276467 514168769 /nfs/dbraw/zinc/16/87/69/514168769.db2.gz WVZDMIMLWMDMJA-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM Cc1nn(C)c2sc(C(=O)NCc3nc4ccc([N+](=O)[O-])cc4[n-]3)cc12 ZINC000444636124 514279933 /nfs/dbraw/zinc/27/99/33/514279933.db2.gz MSIPAABQYVGWOM-UHFFFAOYSA-N -1 3 370.394 2.658 20 5 FFBDHM COc1cc(CNC[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000417584994 514423315 /nfs/dbraw/zinc/42/33/15/514423315.db2.gz OBMOAKSREIOENR-ZDUSSCGKSA-N -1 3 374.393 2.993 20 5 FFBDHM CC(=O)Nc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000445182810 514437089 /nfs/dbraw/zinc/43/70/89/514437089.db2.gz CWRWJNBBPGNEGH-UHFFFAOYSA-N -1 3 350.718 2.560 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000433449485 514495412 /nfs/dbraw/zinc/49/54/12/514495412.db2.gz GPFJJZLLWKEEBF-GXTWGEPZSA-N -1 3 372.418 2.990 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000507963103 514624558 /nfs/dbraw/zinc/62/45/58/514624558.db2.gz QFMUHXKPSMMXJD-UHFFFAOYSA-N -1 3 372.349 2.983 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c1[N+](=O)[O-] ZINC000461795993 514744641 /nfs/dbraw/zinc/74/46/41/514744641.db2.gz MVFOMAZFGUVNHB-OAHLLOKOSA-N -1 3 370.471 2.679 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479912473 514774276 /nfs/dbraw/zinc/77/42/76/514774276.db2.gz GTUHNXAUKAJHTR-OAHLLOKOSA-N -1 3 368.411 2.693 20 5 FFBDHM Cc1nc(C)c(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000498153031 514780582 /nfs/dbraw/zinc/78/05/82/514780582.db2.gz MDDGRVQBXOCJLZ-QGZVFWFLSA-N -1 3 374.422 2.524 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000479952764 514788679 /nfs/dbraw/zinc/78/86/79/514788679.db2.gz XDEDHXKNLPBTLL-CQSZACIVSA-N -1 3 368.411 2.861 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000467062495 514883853 /nfs/dbraw/zinc/88/38/53/514883853.db2.gz ZCSAKNZLQMCSQX-CQSZACIVSA-N -1 3 353.425 2.789 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCC2 ZINC000462324290 514995161 /nfs/dbraw/zinc/99/51/61/514995161.db2.gz XBINMMFZQOCXBX-HZPDHXFCSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000467423531 515002228 /nfs/dbraw/zinc/00/22/28/515002228.db2.gz MXFGMODQIBOOGT-LBPRGKRZSA-N -1 3 352.437 2.973 20 5 FFBDHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000489938699 515039835 /nfs/dbraw/zinc/03/98/35/515039835.db2.gz YGMXXQMJMKYFEU-UHFFFAOYSA-N -1 3 369.362 2.889 20 5 FFBDHM O=C(Nc1c[nH]nc1-c1nccs1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000509151591 515047584 /nfs/dbraw/zinc/04/75/84/515047584.db2.gz JWMUKGNFOSPESN-UHFFFAOYSA-N -1 3 355.339 2.570 20 5 FFBDHM COc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000467713474 515090644 /nfs/dbraw/zinc/09/06/44/515090644.db2.gz IUVMXRKIRAJTBM-UHFFFAOYSA-N -1 3 374.303 2.946 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccc(F)cc2)c1C ZINC000480929659 515140118 /nfs/dbraw/zinc/14/01/18/515140118.db2.gz COUHPCFEZACYDP-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cn3c(cccc3C)n2)c1C ZINC000480974870 515156310 /nfs/dbraw/zinc/15/63/10/515156310.db2.gz AUVLKURYFVHVOQ-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000462711329 515205484 /nfs/dbraw/zinc/20/54/84/515205484.db2.gz ZNSYQLLUAKDURX-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000490624415 515264735 /nfs/dbraw/zinc/26/47/35/515264735.db2.gz AIXYGFIPZWGFDO-QWRGUYRKSA-N -1 3 360.407 2.847 20 5 FFBDHM COC(=O)COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000485981917 515284435 /nfs/dbraw/zinc/28/44/35/515284435.db2.gz TZTNVDDUZSUKLL-QHHAFSJGSA-N -1 3 371.349 2.690 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000509774988 515321208 /nfs/dbraw/zinc/32/12/08/515321208.db2.gz HTEPVVUOCFHDTA-UHFFFAOYSA-N -1 3 350.396 2.569 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490940275 515338288 /nfs/dbraw/zinc/33/82/88/515338288.db2.gz MNESGHIQIZKDOU-LLVKDONJSA-N -1 3 368.340 2.559 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000491583132 515456533 /nfs/dbraw/zinc/45/65/33/515456533.db2.gz GPFJJZLLWKEEBF-JSGCOSHPSA-N -1 3 372.418 2.990 20 5 FFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000481777255 515464861 /nfs/dbraw/zinc/46/48/61/515464861.db2.gz JKDSEJHOVDEZAN-UHFFFAOYSA-N -1 3 364.774 2.753 20 5 FFBDHM COC(=O)c1cc(OC)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000505449210 515539187 /nfs/dbraw/zinc/53/91/87/515539187.db2.gz LTKUTGXRIUGYDX-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000493876685 515673296 /nfs/dbraw/zinc/67/32/96/515673296.db2.gz WPUFBJNOPMOVIS-UHFFFAOYSA-N -1 3 358.391 2.601 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000486973601 515705129 /nfs/dbraw/zinc/70/51/29/515705129.db2.gz UNXLZLWYIBEDGW-LLVKDONJSA-N -1 3 360.819 2.628 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000464181670 515733323 /nfs/dbraw/zinc/73/33/23/515733323.db2.gz AWCFJUPMLMGSKC-UHFFFAOYSA-N -1 3 368.798 2.718 20 5 FFBDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464361839 515796676 /nfs/dbraw/zinc/79/66/76/515796676.db2.gz PNTOHLGWZZHVMS-MRVPVSSYSA-N -1 3 363.317 2.762 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000506225036 515822407 /nfs/dbraw/zinc/82/24/07/515822407.db2.gz HJLHDOAAATYGAC-LLVKDONJSA-N -1 3 370.814 2.994 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c1[N+](=O)[O-] ZINC000501377872 516082388 /nfs/dbraw/zinc/08/23/88/516082388.db2.gz SOJQOVJNIRVPIP-GHMZBOCLSA-N -1 3 364.370 2.650 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)cc1C ZINC000479234188 516121132 /nfs/dbraw/zinc/12/11/32/516121132.db2.gz BFMMOECZLAOZFV-GFCCVEGCSA-N -1 3 372.443 2.610 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507285499 516156244 /nfs/dbraw/zinc/15/62/44/516156244.db2.gz VDXAAVBWHNIRGJ-IFXJQAMLSA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000479364697 516166267 /nfs/dbraw/zinc/16/62/67/516166267.db2.gz OTSKJPKIIBDUNQ-DOMZBBRYSA-N -1 3 356.444 2.775 20 5 FFBDHM COc1ccc([O-])c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000479414498 516186346 /nfs/dbraw/zinc/18/63/46/516186346.db2.gz BUGHEQOMRSEHGU-UHFFFAOYSA-N -1 3 350.758 2.935 20 5 FFBDHM COc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000512327492 516240608 /nfs/dbraw/zinc/24/06/08/516240608.db2.gz ZQERWPRLVRDTKA-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM COC(=O)c1cc(C(=O)N2CCCc3cccc([O-])c32)cc([N+](=O)[O-])c1 ZINC000501978870 516279323 /nfs/dbraw/zinc/27/93/23/516279323.db2.gz MKSXMVFIIPUOEC-UHFFFAOYSA-N -1 3 356.334 2.680 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)cc1C ZINC000497558469 516326454 /nfs/dbraw/zinc/32/64/54/516326454.db2.gz QKUJXNSXZFCGQP-GJZGRUSLSA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000543667087 516355213 /nfs/dbraw/zinc/35/52/13/516355213.db2.gz JAXOYMKEPLPPCW-SNVBAGLBSA-N -1 3 355.441 2.750 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000543683891 516364861 /nfs/dbraw/zinc/36/48/61/516364861.db2.gz IREJKDGXPNQJJA-NSHDSACASA-N -1 3 370.349 2.859 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000561724818 516733746 /nfs/dbraw/zinc/73/37/46/516733746.db2.gz SBQDRDOXUHBAPA-RTHLEPHNSA-N -1 3 354.409 2.765 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000514428309 516929506 /nfs/dbraw/zinc/92/95/06/516929506.db2.gz GNYQTLZAEQIZHC-UHFFFAOYSA-N -1 3 364.379 2.536 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000532395371 516951474 /nfs/dbraw/zinc/95/14/74/516951474.db2.gz QFPHSLBDXODWFK-LLVKDONJSA-N -1 3 354.771 2.660 20 5 FFBDHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000536900269 516971643 /nfs/dbraw/zinc/97/16/43/516971643.db2.gz LHRCONVOSHYTDI-UHFFFAOYSA-N -1 3 364.379 2.632 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000525664070 517104087 /nfs/dbraw/zinc/10/40/87/517104087.db2.gz NYYLASCOXWKVAJ-UHFFFAOYSA-N -1 3 358.310 2.802 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000525664070 517104092 /nfs/dbraw/zinc/10/40/92/517104092.db2.gz NYYLASCOXWKVAJ-UHFFFAOYSA-N -1 3 358.310 2.802 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000545365232 517200967 /nfs/dbraw/zinc/20/09/67/517200967.db2.gz PEMYDUFSAIOEMP-CYBMUJFWSA-N -1 3 368.798 2.801 20 5 FFBDHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000548925103 517305757 /nfs/dbraw/zinc/30/57/57/517305757.db2.gz RZIODDZJGXTXEH-UHFFFAOYSA-N -1 3 351.362 2.751 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000537901400 517397071 /nfs/dbraw/zinc/39/70/71/517397071.db2.gz LNFVQEJSSVFFRW-UHFFFAOYSA-N -1 3 363.326 2.583 20 5 FFBDHM CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000542238418 517454394 /nfs/dbraw/zinc/45/43/94/517454394.db2.gz DHPJCEJZTWNBQA-GFCCVEGCSA-N -1 3 372.443 2.631 20 5 FFBDHM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000520747016 517498253 /nfs/dbraw/zinc/49/82/53/517498253.db2.gz QGEWCAWCECNZLJ-GFCCVEGCSA-N -1 3 352.387 2.952 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533712302 517582454 /nfs/dbraw/zinc/58/24/54/517582454.db2.gz LMJFSFGXDPGIPD-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000516378053 517675295 /nfs/dbraw/zinc/67/52/95/517675295.db2.gz YSGXTEZVCMQAIE-UHFFFAOYSA-N -1 3 350.396 2.780 20 5 FFBDHM CC[C@H]1C[C@@H](CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCO1 ZINC000542885007 517798361 /nfs/dbraw/zinc/79/83/61/517798361.db2.gz VWKFLNAUBODKKN-WFASDCNBSA-N -1 3 358.398 2.941 20 5 FFBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cnn1-c1ccc(Cl)cc1 ZINC000564067076 518292578 /nfs/dbraw/zinc/29/25/78/518292578.db2.gz MHYVZZJEUUPJKP-UHFFFAOYSA-N -1 3 372.772 2.980 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000576758588 518748218 /nfs/dbraw/zinc/74/82/18/518748218.db2.gz YMSFSYCMRYWGIS-DOMZBBRYSA-N -1 3 356.382 2.935 20 5 FFBDHM CCCN(CCN1CCCCCC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567979610 518811857 /nfs/dbraw/zinc/81/18/57/518811857.db2.gz UGTURNPGZFEUQT-UHFFFAOYSA-N -1 3 350.419 2.780 20 5 FFBDHM CN(c1ccccc1)c1ccc(CN[C@@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000580471295 519193095 /nfs/dbraw/zinc/19/30/95/519193095.db2.gz LPYAPAHGNNHPNI-IBGZPJMESA-N -1 3 371.393 2.696 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000568896502 519273886 /nfs/dbraw/zinc/27/38/86/519273886.db2.gz BSPNZMFMIOAWLC-UHFFFAOYSA-N -1 3 350.256 2.936 20 5 FFBDHM CCCCN1CCC([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000590591414 519277767 /nfs/dbraw/zinc/27/77/67/519277767.db2.gz MXECHYDNWNRSHO-UHFFFAOYSA-N -1 3 373.450 2.585 20 5 FFBDHM CCOC(=O)c1csc(=NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[n-]1 ZINC000590703140 519324929 /nfs/dbraw/zinc/32/49/29/519324929.db2.gz CSHIFSSEAPWSNM-UHFFFAOYSA-N -1 3 360.395 2.786 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3cc(N)ccc32)c1C ZINC000569140780 519399606 /nfs/dbraw/zinc/39/96/06/519399606.db2.gz NSJIJQTYJPHXRQ-HNNXBMFYSA-N -1 3 361.423 2.760 20 5 FFBDHM O=C([O-])c1cnc2ccccc2c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000578135085 519437059 /nfs/dbraw/zinc/43/70/59/519437059.db2.gz QUESYXLPHXHQPW-UHFFFAOYSA-N -1 3 367.365 2.879 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c1C ZINC000594473044 519982220 /nfs/dbraw/zinc/98/22/20/519982220.db2.gz IYEFPUWMEIKCKB-CVEARBPZSA-N -1 3 368.455 2.838 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c(F)c1 ZINC000594490793 520000440 /nfs/dbraw/zinc/00/04/40/520000440.db2.gz JHUJIRWIOFUMSL-GFCCVEGCSA-N -1 3 358.391 2.504 20 5 FFBDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768100 520145807 /nfs/dbraw/zinc/14/58/07/520145807.db2.gz JETYWCAOTWCSSV-QMMMGPOBSA-N -1 3 363.317 2.762 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000594778846 520152085 /nfs/dbraw/zinc/15/20/85/520152085.db2.gz BAEILOFCXFNAEG-JTQLQIEISA-N -1 3 371.365 2.857 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000594798136 520162648 /nfs/dbraw/zinc/16/26/48/520162648.db2.gz YLNLUHPOSKNINA-UHFFFAOYSA-N -1 3 367.402 2.950 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c(Br)c1 ZINC000594802413 520164814 /nfs/dbraw/zinc/16/48/14/520164814.db2.gz JHQGLPFLQBIJEE-PRHODGIISA-N -1 3 361.217 2.578 20 5 FFBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594849582 520187748 /nfs/dbraw/zinc/18/77/48/520187748.db2.gz PIZXEBYPBUDLRF-UHFFFAOYSA-N -1 3 367.427 2.627 20 5 FFBDHM Cn1c([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])nnc1C1CC1 ZINC000597898911 520313852 /nfs/dbraw/zinc/31/38/52/520313852.db2.gz RLXZOOIYBUGZFH-UHFFFAOYSA-N -1 3 366.175 2.616 20 5 FFBDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604042811 520435325 /nfs/dbraw/zinc/43/53/25/520435325.db2.gz DWBFFRNHPMQULY-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610265361 520611677 /nfs/dbraw/zinc/61/16/77/520611677.db2.gz FLTUTQOKGGCZPM-IRXDYDNUSA-N -1 3 362.407 2.612 20 5 FFBDHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592950699 520657376 /nfs/dbraw/zinc/65/73/76/520657376.db2.gz RPAJPUMBXZUSNF-UHFFFAOYSA-N -1 3 368.397 2.824 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])s1 ZINC000601428608 520783375 /nfs/dbraw/zinc/78/33/75/520783375.db2.gz CDDZEPMQSVXIPQ-LLVKDONJSA-N -1 3 360.457 2.592 20 5 FFBDHM O=c1[n-]ccc(N2CCC(CN3CCc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000596121011 520925104 /nfs/dbraw/zinc/92/51/04/520925104.db2.gz IKSIJLDAXWHVDX-UHFFFAOYSA-N -1 3 354.410 2.975 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000596165967 520947245 /nfs/dbraw/zinc/94/72/45/520947245.db2.gz NXPROEPGLGFEND-NSHDSACASA-N -1 3 371.315 2.977 20 5 FFBDHM O=C(N[C@H](CN1CCCCC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618377315 521040967 /nfs/dbraw/zinc/04/09/67/521040967.db2.gz HXLWVJUZBQXAMQ-MRXNPFEDSA-N -1 3 370.409 2.652 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000599390053 521193509 /nfs/dbraw/zinc/19/35/09/521193509.db2.gz HPQXBHYKBVAOFM-CYBMUJFWSA-N -1 3 373.500 2.650 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)c1C ZINC000599464244 521241039 /nfs/dbraw/zinc/24/10/39/521241039.db2.gz KRSUZHRUQGFWQH-HNNXBMFYSA-N -1 3 367.471 2.507 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)c1C ZINC000611619196 521252347 /nfs/dbraw/zinc/25/23/47/521252347.db2.gz KXTKTCWSDJEISZ-LLVKDONJSA-N -1 3 353.375 2.785 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000619447752 521571410 /nfs/dbraw/zinc/57/14/10/521571410.db2.gz NAPKJJBPVBNHNK-GFCCVEGCSA-N -1 3 360.370 2.702 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000619447752 521571413 /nfs/dbraw/zinc/57/14/13/521571413.db2.gz NAPKJJBPVBNHNK-GFCCVEGCSA-N -1 3 360.370 2.702 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2cccc([N+](=O)[O-])c2OC)[nH][n-]1 ZINC000619472731 521586136 /nfs/dbraw/zinc/58/61/36/521586136.db2.gz SYQOWKSKBXWBCG-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000619479202 521589851 /nfs/dbraw/zinc/58/98/51/521589851.db2.gz DNJFYQZMWVRTMO-CHWSQXEVSA-N -1 3 366.370 2.577 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000619714745 521835038 /nfs/dbraw/zinc/83/50/38/521835038.db2.gz GNLIQWAIORRAPS-CQSZACIVSA-N -1 3 374.846 2.876 20 5 FFBDHM COc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc(C)n1 ZINC000507028879 561714708 /nfs/dbraw/zinc/71/47/08/561714708.db2.gz BGBYGRUEJVOWDR-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc([N+](=O)[O-])c[nH]1 ZINC000513738094 561948222 /nfs/dbraw/zinc/94/82/22/561948222.db2.gz OEBKQTOEWUDAKI-UHFFFAOYSA-N -1 3 350.132 2.585 20 5 FFBDHM COc1cccnc1CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000619568367 555800269 /nfs/dbraw/zinc/80/02/69/555800269.db2.gz FCIJWQOUMUELJA-UHFFFAOYSA-N -1 3 353.338 2.570 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473849639 561059174 /nfs/dbraw/zinc/05/91/74/561059174.db2.gz LIMVLSMHZAVBHH-CQSZACIVSA-N -1 3 369.337 2.676 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1sccc1-c1nnn[n-]1 ZINC000738055189 598834823 /nfs/dbraw/zinc/83/48/23/598834823.db2.gz UCXAJXRVQUBACQ-UHFFFAOYSA-N -1 3 372.410 2.589 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1sccc1-c1nn[n-]n1 ZINC000738055189 598834824 /nfs/dbraw/zinc/83/48/24/598834824.db2.gz UCXAJXRVQUBACQ-UHFFFAOYSA-N -1 3 372.410 2.589 20 5 FFBDHM CC(C)(C(=O)OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000735582733 598903366 /nfs/dbraw/zinc/90/33/66/598903366.db2.gz OMXHSDDFGGTOAR-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM CC(C)(C(=O)OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000735582733 598903368 /nfs/dbraw/zinc/90/33/68/598903368.db2.gz OMXHSDDFGGTOAR-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCCC2 ZINC000736611942 598977699 /nfs/dbraw/zinc/97/76/99/598977699.db2.gz KXZVOCDCSDCGKU-CVEARBPZSA-N -1 3 372.429 2.949 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCCC2 ZINC000736611942 598977701 /nfs/dbraw/zinc/97/77/01/598977701.db2.gz KXZVOCDCSDCGKU-CVEARBPZSA-N -1 3 372.429 2.949 20 5 FFBDHM CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736401509 599272888 /nfs/dbraw/zinc/27/28/88/599272888.db2.gz ITSVCHROTIYTPD-NSHDSACASA-N -1 3 353.386 2.950 20 5 FFBDHM CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736401509 599272891 /nfs/dbraw/zinc/27/28/91/599272891.db2.gz ITSVCHROTIYTPD-NSHDSACASA-N -1 3 353.386 2.950 20 5 FFBDHM Cc1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822108782 607321257 /nfs/dbraw/zinc/32/12/57/607321257.db2.gz KZZUJUVSSXUUMQ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822108782 607321258 /nfs/dbraw/zinc/32/12/58/607321258.db2.gz KZZUJUVSSXUUMQ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822109482 607321372 /nfs/dbraw/zinc/32/13/72/607321372.db2.gz RHZIJONWECRVPY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822109482 607321373 /nfs/dbraw/zinc/32/13/73/607321373.db2.gz RHZIJONWECRVPY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM COc1cccc2c1OCC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737144053 598248618 /nfs/dbraw/zinc/24/86/18/598248618.db2.gz ZHRPCJGHAZYNSR-GFCCVEGCSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1cccc2c1OCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737144053 598248619 /nfs/dbraw/zinc/24/86/19/598248619.db2.gz ZHRPCJGHAZYNSR-GFCCVEGCSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1cccc2c1OCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737143473 598248828 /nfs/dbraw/zinc/24/88/28/598248828.db2.gz RQISACWCPZXRQO-CQSZACIVSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1cccc2c1OCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737143473 598248829 /nfs/dbraw/zinc/24/88/29/598248829.db2.gz RQISACWCPZXRQO-CQSZACIVSA-N -1 3 368.353 2.719 20 5 FFBDHM Cc1ccccc1C1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737420153 598355076 /nfs/dbraw/zinc/35/50/76/598355076.db2.gz IUKAMCJUAZKDKM-UHFFFAOYSA-N -1 3 351.370 2.622 20 5 FFBDHM Cc1ccccc1C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737420153 598355078 /nfs/dbraw/zinc/35/50/78/598355078.db2.gz IUKAMCJUAZKDKM-UHFFFAOYSA-N -1 3 351.370 2.622 20 5 FFBDHM Cc1c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cccc1-c1nnn[n-]1 ZINC000822104432 607361603 /nfs/dbraw/zinc/36/16/03/607361603.db2.gz MZYZUYBBBPQSLX-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM Cc1c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cccc1-c1nn[n-]n1 ZINC000822104432 607361605 /nfs/dbraw/zinc/36/16/05/607361605.db2.gz MZYZUYBBBPQSLX-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM CCNc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736580260 598591805 /nfs/dbraw/zinc/59/18/05/598591805.db2.gz IVBBEXJGQGHKJR-UHFFFAOYSA-N -1 3 371.332 2.598 20 5 FFBDHM CCNc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736580260 598591808 /nfs/dbraw/zinc/59/18/08/598591808.db2.gz IVBBEXJGQGHKJR-UHFFFAOYSA-N -1 3 371.332 2.598 20 5 FFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736297972 598601697 /nfs/dbraw/zinc/60/16/97/598601697.db2.gz OFAVTAAUZBBKFZ-SNVBAGLBSA-N -1 3 354.345 2.865 20 5 FFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736297972 598601698 /nfs/dbraw/zinc/60/16/98/598601698.db2.gz OFAVTAAUZBBKFZ-SNVBAGLBSA-N -1 3 354.345 2.865 20 5 FFBDHM COc1cccc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737128698 598795949 /nfs/dbraw/zinc/79/59/49/598795949.db2.gz FUDCQTQFQREKTB-NSHDSACASA-N -1 3 354.370 2.827 20 5 FFBDHM COc1cccc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737128698 598795954 /nfs/dbraw/zinc/79/59/54/598795954.db2.gz FUDCQTQFQREKTB-NSHDSACASA-N -1 3 354.370 2.827 20 5 FFBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508473 599314051 /nfs/dbraw/zinc/31/40/51/599314051.db2.gz MPRMZNVYIDTUMT-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508473 599314052 /nfs/dbraw/zinc/31/40/52/599314052.db2.gz MPRMZNVYIDTUMT-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCCC[C@@H](COC)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821042403 599564207 /nfs/dbraw/zinc/56/42/07/599564207.db2.gz ANRDMNWRRLNJJF-NSHDSACASA-N -1 3 371.401 2.940 20 5 FFBDHM CCCC[C@@H](COC)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821042403 599564209 /nfs/dbraw/zinc/56/42/09/599564209.db2.gz ANRDMNWRRLNJJF-NSHDSACASA-N -1 3 371.401 2.940 20 5 FFBDHM O=C([O-])CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000739794094 599865289 /nfs/dbraw/zinc/86/52/89/599865289.db2.gz QGGFSELITOXKHC-UHFFFAOYSA-N -1 3 366.320 2.839 20 5 FFBDHM Cc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1[N+](=O)[O-] ZINC000826254581 607408410 /nfs/dbraw/zinc/40/84/10/607408410.db2.gz RPZUOMFEUHXWFV-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1[N+](=O)[O-] ZINC000826254581 607408411 /nfs/dbraw/zinc/40/84/11/607408411.db2.gz RPZUOMFEUHXWFV-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824394315 607733021 /nfs/dbraw/zinc/73/30/21/607733021.db2.gz XLYUKUVZCUDUGB-TVQRCGJNSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824394315 607733022 /nfs/dbraw/zinc/73/30/22/607733022.db2.gz XLYUKUVZCUDUGB-TVQRCGJNSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508750 606349362 /nfs/dbraw/zinc/34/93/62/606349362.db2.gz WZNMXBUZVTXHMO-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508750 606349363 /nfs/dbraw/zinc/34/93/63/606349363.db2.gz WZNMXBUZVTXHMO-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820909046 606608988 /nfs/dbraw/zinc/60/89/88/606608988.db2.gz SNBZLVKIVYUKGS-LBPRGKRZSA-N -1 3 373.348 2.579 20 5 FFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820909046 606608990 /nfs/dbraw/zinc/60/89/90/606608990.db2.gz SNBZLVKIVYUKGS-LBPRGKRZSA-N -1 3 373.348 2.579 20 5 FFBDHM CO[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821679162 606609627 /nfs/dbraw/zinc/60/96/27/606609627.db2.gz YAKIRWOUIRZINF-KGLIPLIRSA-N -1 3 369.385 2.549 20 5 FFBDHM CO[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821679162 606609629 /nfs/dbraw/zinc/60/96/29/606609629.db2.gz YAKIRWOUIRZINF-KGLIPLIRSA-N -1 3 369.385 2.549 20 5 FFBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000823356363 606623305 /nfs/dbraw/zinc/62/33/05/606623305.db2.gz LCEWXHSZPPTEPI-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000823356363 606623307 /nfs/dbraw/zinc/62/33/07/606623307.db2.gz LCEWXHSZPPTEPI-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000820767129 606645591 /nfs/dbraw/zinc/64/55/91/606645591.db2.gz GKTCOXQEVQFTTB-SJKOYZFVSA-N -1 3 366.381 2.741 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822271039 606666511 /nfs/dbraw/zinc/66/65/11/606666511.db2.gz JRQZTNJAGNLFBN-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822271039 606666512 /nfs/dbraw/zinc/66/65/12/606666512.db2.gz JRQZTNJAGNLFBN-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822271324 606669747 /nfs/dbraw/zinc/66/97/47/606669747.db2.gz XDNMGWYVPDKPIT-UHFFFAOYSA-N -1 3 374.307 2.922 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822271324 606669748 /nfs/dbraw/zinc/66/97/48/606669748.db2.gz XDNMGWYVPDKPIT-UHFFFAOYSA-N -1 3 374.307 2.922 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822271230 607002080 /nfs/dbraw/zinc/00/20/80/607002080.db2.gz RSCKEUDZIZHGMX-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822271230 607002082 /nfs/dbraw/zinc/00/20/82/607002082.db2.gz RSCKEUDZIZHGMX-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000823629946 607042593 /nfs/dbraw/zinc/04/25/93/607042593.db2.gz NDJRRWNXTHXONC-AWEZNQCLSA-N -1 3 370.369 2.554 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000823629946 607042595 /nfs/dbraw/zinc/04/25/95/607042595.db2.gz NDJRRWNXTHXONC-AWEZNQCLSA-N -1 3 370.369 2.554 20 5 FFBDHM O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261864 607198437 /nfs/dbraw/zinc/19/84/37/607198437.db2.gz VFFFIBGJFLRNAS-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261864 607198438 /nfs/dbraw/zinc/19/84/38/607198438.db2.gz VFFFIBGJFLRNAS-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819892123 607246796 /nfs/dbraw/zinc/24/67/96/607246796.db2.gz VOSKEPWCMLXLSZ-UHFFFAOYSA-N -1 3 371.328 2.797 20 5 FFBDHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000819892123 607246797 /nfs/dbraw/zinc/24/67/97/607246797.db2.gz VOSKEPWCMLXLSZ-UHFFFAOYSA-N -1 3 371.328 2.797 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824047158 608162346 /nfs/dbraw/zinc/16/23/46/608162346.db2.gz YHOAJVKLUINYTR-MRVPVSSYSA-N -1 3 373.760 2.566 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824047158 608162347 /nfs/dbraw/zinc/16/23/47/608162347.db2.gz YHOAJVKLUINYTR-MRVPVSSYSA-N -1 3 373.760 2.566 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498358 608194743 /nfs/dbraw/zinc/19/47/43/608194743.db2.gz RCKMWDIMPYECOD-UHFFFAOYSA-N -1 3 365.397 2.629 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Cc3cccnc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498358 608194745 /nfs/dbraw/zinc/19/47/45/608194745.db2.gz RCKMWDIMPYECOD-UHFFFAOYSA-N -1 3 365.397 2.629 20 5 FFBDHM Cc1cc([N+](=O)[O-])cnc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826272593 608443539 /nfs/dbraw/zinc/44/35/39/608443539.db2.gz RGOQWBOMBCGTKM-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1cc([N+](=O)[O-])cnc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826272593 608443540 /nfs/dbraw/zinc/44/35/40/608443540.db2.gz RGOQWBOMBCGTKM-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826212426 609334231 /nfs/dbraw/zinc/33/42/31/609334231.db2.gz PRJNWVZKFKCVHC-SNVBAGLBSA-N -1 3 372.360 2.773 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826212426 609334233 /nfs/dbraw/zinc/33/42/33/609334233.db2.gz PRJNWVZKFKCVHC-SNVBAGLBSA-N -1 3 372.360 2.773 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCNc1ccccc1[N+](=O)[O-] ZINC000824019939 609420828 /nfs/dbraw/zinc/42/08/28/609420828.db2.gz VQPTWTNGHAHMHN-UHFFFAOYSA-N -1 3 367.369 2.502 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCNc1ccccc1[N+](=O)[O-] ZINC000824019939 609420831 /nfs/dbraw/zinc/42/08/31/609420831.db2.gz VQPTWTNGHAHMHN-UHFFFAOYSA-N -1 3 367.369 2.502 20 5 FFBDHM CC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823943494 609493815 /nfs/dbraw/zinc/49/38/15/609493815.db2.gz PVSRAGXHAOASLY-BENRWUELSA-N -1 3 364.365 2.841 20 5 FFBDHM CC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823943494 609493818 /nfs/dbraw/zinc/49/38/18/609493818.db2.gz PVSRAGXHAOASLY-BENRWUELSA-N -1 3 364.365 2.841 20 5 FFBDHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000152235804 728752688 /nfs/dbraw/zinc/75/26/88/728752688.db2.gz SKNFXLROCATSHD-UHFFFAOYSA-N -1 3 372.349 2.983 20 5 FFBDHM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000120017299 728603914 /nfs/dbraw/zinc/60/39/14/728603914.db2.gz JUPOZFHYTVNOOX-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000175112168 729087604 /nfs/dbraw/zinc/08/76/04/729087604.db2.gz KKEVFCCJJAAEDT-CYBMUJFWSA-N -1 3 365.367 2.933 20 5 FFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc2c(cc1[O-])OCO2 ZINC000436895416 729872458 /nfs/dbraw/zinc/87/24/58/729872458.db2.gz WTQODSHPKCZNKS-UHFFFAOYSA-N -1 3 364.741 2.655 20 5 FFBDHM COc1c([O-])ccc(CN2CCO[C@@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000891826287 734480571 /nfs/dbraw/zinc/48/05/71/734480571.db2.gz OMTPFNXOLJJXFA-CYBMUJFWSA-N -1 3 350.396 2.944 20 5 FFBDHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000742330550 735228929 /nfs/dbraw/zinc/22/89/29/735228929.db2.gz VZCCEXSPHRUOTD-VHSXEESVSA-N -1 3 350.849 2.811 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000785397295 738960208 /nfs/dbraw/zinc/96/02/08/738960208.db2.gz JKBDRDVWTWMQDG-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1F ZINC000769890924 737579900 /nfs/dbraw/zinc/57/99/00/737579900.db2.gz XINKZSMQVKTDFC-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])ncc1Br ZINC000798171783 740309222 /nfs/dbraw/zinc/30/92/22/740309222.db2.gz FCSBMPGGKVDEFQ-UHFFFAOYSA-N -1 3 370.134 2.527 20 5 FFBDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853252808 750038875 /nfs/dbraw/zinc/03/88/75/750038875.db2.gz SUDUKPWTAJOQQS-LLVKDONJSA-N -1 3 352.391 2.531 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826454008 948323636 /nfs/dbraw/zinc/32/36/36/948323636.db2.gz GWVLRIYUGCVOBF-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826454008 948323646 /nfs/dbraw/zinc/32/36/46/948323646.db2.gz GWVLRIYUGCVOBF-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000130004286 979634428 /nfs/dbraw/zinc/63/44/28/979634428.db2.gz RVYIMKPWODFPKG-UHFFFAOYSA-N -1 3 368.349 2.719 20 5 FFBDHM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000130723725 985370547 /nfs/dbraw/zinc/37/05/47/985370547.db2.gz ZKZPVPSUISPWOS-UHFFFAOYSA-N -1 3 364.308 2.826 20 5 FFBDHM COc1cc(C=Cc2nccc(=O)[n-]2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131731713 986906662 /nfs/dbraw/zinc/90/66/62/986906662.db2.gz HDBDEJQERFDCGT-NSCUHMNNSA-N -1 3 371.271 2.798 20 5 FFBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000914891434 988029948 /nfs/dbraw/zinc/02/99/48/988029948.db2.gz OOYOHFFDKWKYEV-UHFFFAOYSA-N -1 3 371.374 2.884 20 5 FFBDHM COc1c([O-])ccc(C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599344403 997976813 /nfs/dbraw/zinc/97/68/13/997976813.db2.gz HXOSPPBEADXRCW-DOMZBBRYSA-N -1 3 374.393 2.731 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])c(CN(CCc2ccccc2)CC(=O)[O-])c1 ZINC001598987353 998706608 /nfs/dbraw/zinc/70/66/08/998706608.db2.gz BZKJQFMOWNDSCN-UHFFFAOYSA-N -1 3 372.377 2.511 20 5 FFBDHM O=C(Nc1cccnc1NCc1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001169727293 1000070198 /nfs/dbraw/zinc/07/01/98/1000070198.db2.gz VBKYILMXKDWIGX-UHFFFAOYSA-N -1 3 365.349 2.955 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C)c([N+](=O)[O-])c2)c(F)cc1F ZINC001193819961 1004590436 /nfs/dbraw/zinc/59/04/36/1004590436.db2.gz RKTMNTGRNPKPCR-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM CC(=O)c1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1[O-] ZINC000808189417 1004770093 /nfs/dbraw/zinc/77/00/93/1004770093.db2.gz QPIZMAPKNKJDMT-INIZCTEOSA-N -1 3 369.333 2.635 20 5 FFBDHM COC(=O)c1cc(Br)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199828903 1005034536 /nfs/dbraw/zinc/03/45/36/1005034536.db2.gz YHAAFBVVBPBWEV-UHFFFAOYSA-N -1 3 368.143 2.988 20 5 FFBDHM O=C(N=[S@@]1(=O)CCc2ccccc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001133788488 1005960984 /nfs/dbraw/zinc/96/09/84/1005960984.db2.gz LRRPGLZAUWLRJL-RUZDIDTESA-N -1 3 356.363 2.695 20 5 FFBDHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000776616417 1006109895 /nfs/dbraw/zinc/10/98/95/1006109895.db2.gz RJBXSFAPAVWCJB-UHFFFAOYSA-N -1 3 371.299 2.917 20 5 FFBDHM O=c1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)nc[n-]1 ZINC001187816048 1006255017 /nfs/dbraw/zinc/25/50/17/1006255017.db2.gz FYYCOMAVKJCGIT-VIFPVBQESA-N -1 3 351.313 2.719 20 5 FFBDHM O=c1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3C(F)F)C2)nc[n-]1 ZINC001187816047 1006255446 /nfs/dbraw/zinc/25/54/46/1006255446.db2.gz FYYCOMAVKJCGIT-SECBINFHSA-N -1 3 351.313 2.719 20 5 FFBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000853459621 1006396435 /nfs/dbraw/zinc/39/64/35/1006396435.db2.gz STNLIFUPFYIGRZ-NWDGAFQWSA-N -1 3 366.418 2.825 20 5 FFBDHM COc1ccc(C2=NO[C@@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1C ZINC000853575086 1006454988 /nfs/dbraw/zinc/45/49/88/1006454988.db2.gz ZOTIVLGLFMGHSO-GFCCVEGCSA-N -1 3 358.354 2.618 20 5 FFBDHM CC(C)c1ccc(CNCc2nc3c(c(=O)[n-]2)COCC3)cc1[N+](=O)[O-] ZINC001179418786 1009337556 /nfs/dbraw/zinc/33/75/56/1009337556.db2.gz CEIZPXZLBYWWQI-UHFFFAOYSA-N -1 3 358.398 2.576 20 5 FFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000118319386 1009441824 /nfs/dbraw/zinc/44/18/24/1009441824.db2.gz SQZWJCSDBGTLJD-UHFFFAOYSA-N -1 3 366.377 2.882 20 5 FFBDHM COc1cc(F)c(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1OC ZINC001212844388 1009555335 /nfs/dbraw/zinc/55/53/35/1009555335.db2.gz QWXBCOAZWJXIKG-UHFFFAOYSA-N -1 3 362.273 2.569 20 5 FFBDHM C[C@H]1C[NH2+]CCC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001217995924 1032940842 /nfs/dbraw/zinc/94/08/42/1032940842.db2.gz ZPLNITLTBOVDJL-IINYFYTJSA-N -1 3 371.389 2.830 20 5 FFBDHM COc1nscc1[N-]C(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC001153899539 1028060062 /nfs/dbraw/zinc/06/00/62/1028060062.db2.gz PCGXYXARTJTSGI-UHFFFAOYSA-N -1 3 370.774 2.924 20 5 FFBDHM O=[N+]([O-])C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccc2c(c1)OCO2 ZINC001226118866 1034533843 /nfs/dbraw/zinc/53/38/43/1034533843.db2.gz JQARBUBYUADRLG-CQSZACIVSA-N -1 3 361.379 2.768 20 5 FFBDHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC001227095429 1034933785 /nfs/dbraw/zinc/93/37/85/1034933785.db2.gz JHURGKUHCAVILP-AWEZNQCLSA-N -1 3 373.296 2.676 20 5 FFBDHM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H]3CN4CCC3CC4)c12 ZINC001234745210 1037161588 /nfs/dbraw/zinc/16/15/88/1037161588.db2.gz SICUHGYMMKBYIA-GOSISDBHSA-N -1 3 353.374 2.830 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)c([O-])c1 ZINC001251009296 1038896444 /nfs/dbraw/zinc/89/64/44/1038896444.db2.gz HLXNMSSRUBFHRT-UHFFFAOYSA-N -1 3 358.329 2.819 20 5 FFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001210631836 1039644598 /nfs/dbraw/zinc/64/45/98/1039644598.db2.gz KQAGLMLOASHEIQ-ZJUUUORDSA-N -1 3 350.487 2.917 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001247999787 1040093604 /nfs/dbraw/zinc/09/36/04/1040093604.db2.gz NVDKGAAURKWDGF-UHFFFAOYSA-N -1 3 354.278 2.626 20 5 FFBDHM Cn1ncc2ccc(-c3noc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4)n3)cc21 ZINC001248001080 1040096606 /nfs/dbraw/zinc/09/66/06/1040096606.db2.gz YHTORORPJQKTDU-UHFFFAOYSA-N -1 3 364.321 2.784 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCc2cccnc21 ZINC001309773307 1043518701 /nfs/dbraw/zinc/51/87/01/1043518701.db2.gz NFJQLAIJXYTJBF-NSHDSACASA-N -1 3 367.814 2.652 20 5 FFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001309779175 1043522674 /nfs/dbraw/zinc/52/26/74/1043522674.db2.gz XLKKTMXQQGHGKA-UHFFFAOYSA-N -1 3 365.367 2.598 20 5 FFBDHM CN(C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001542090937 1071168145 /nfs/dbraw/zinc/16/81/45/1071168145.db2.gz UITZSHPPIDVGMZ-UHFFFAOYSA-N -1 3 357.410 2.547 20 5 FFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001304133450 1051551563 /nfs/dbraw/zinc/55/15/63/1051551563.db2.gz WLTSZXIKQMYPAK-YFKPBYRVSA-N -1 3 363.683 2.876 20 5 FFBDHM COc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc([N+](=O)[O-])c1C ZINC001304132639 1051552789 /nfs/dbraw/zinc/55/27/89/1051552789.db2.gz PYKPZQJVHTXHRX-SSDOTTSWSA-N -1 3 373.291 2.540 20 5 FFBDHM CCc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCO2 ZINC001309383573 1052609189 /nfs/dbraw/zinc/60/91/89/1052609189.db2.gz ANDYPOJAZVMEBQ-CQSZACIVSA-N -1 3 362.407 2.959 20 5 FFBDHM COC(=O)c1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC001350426972 1055766824 /nfs/dbraw/zinc/76/68/24/1055766824.db2.gz YQUVPPJIBBAFDM-UHFFFAOYSA-N -1 3 373.293 2.692 20 5 FFBDHM Cc1cc(=O)[n-]c(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC001300201137 1056092595 /nfs/dbraw/zinc/09/25/95/1056092595.db2.gz JVHOAHLUGOPNOB-UHFFFAOYSA-N -1 3 362.411 2.829 20 5 FFBDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])s1 ZINC001475181107 1060983462 /nfs/dbraw/zinc/98/34/62/1060983462.db2.gz PVNXZDHUBIHDSP-SSDOTTSWSA-N -1 3 361.470 2.812 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001475442447 1061092218 /nfs/dbraw/zinc/09/22/18/1061092218.db2.gz KSBRCKCQCQGQKP-XYPYZODXSA-N -1 3 360.407 2.667 20 5 FFBDHM C[C@H](COCC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001475702930 1061219202 /nfs/dbraw/zinc/21/92/02/1061219202.db2.gz GGNHDPVHDFUWPI-GFCCVEGCSA-N -1 3 374.434 2.998 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOC12CCCC2 ZINC001475765762 1061260508 /nfs/dbraw/zinc/26/05/08/1061260508.db2.gz DSGZPEITMDYHHS-CYBMUJFWSA-N -1 3 360.819 2.628 20 5 FFBDHM COc1cc(CNc2ccn(Cc3ccncc3)n2)c([N+](=O)[O-])cc1[O-] ZINC001461332342 1061290349 /nfs/dbraw/zinc/29/03/49/1061290349.db2.gz NDKBYNUVKMFNEM-UHFFFAOYSA-N -1 3 355.354 2.561 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC001463829460 1062283394 /nfs/dbraw/zinc/28/33/94/1062283394.db2.gz VEUJKVCCCVEZCQ-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC001463978454 1062360275 /nfs/dbraw/zinc/36/02/75/1062360275.db2.gz WENZTZFQKYFFBC-WCQYABFASA-N -1 3 360.457 2.591 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001463986954 1062365517 /nfs/dbraw/zinc/36/55/17/1062365517.db2.gz SMODLZLSAGUPPW-GOEBONIOSA-N -1 3 372.418 2.668 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CC(F)(F)c2cccc(F)c2)c1 ZINC001464036237 1062392177 /nfs/dbraw/zinc/39/21/77/1062392177.db2.gz OUBXXOQIPQOZHZ-UHFFFAOYSA-N -1 3 360.313 2.804 20 5 FFBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001468311775 1063964225 /nfs/dbraw/zinc/96/42/25/1063964225.db2.gz ZIHALCXLWHUHQX-UHFFFAOYSA-N -1 3 364.321 2.615 20 5 FFBDHM C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001575119248 1078108497 /nfs/dbraw/zinc/10/84/97/1078108497.db2.gz VULHTOHOIYWBKZ-GFCCVEGCSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001575119248 1078108501 /nfs/dbraw/zinc/10/85/01/1078108501.db2.gz VULHTOHOIYWBKZ-GFCCVEGCSA-N -1 3 353.386 2.712 20 5 FFBDHM CCc1nc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)sc1C ZINC001578678091 1078516274 /nfs/dbraw/zinc/51/62/74/1078516274.db2.gz FRLZLAYNTIHLRG-UHFFFAOYSA-N -1 3 363.428 2.836 20 5 FFBDHM CCc1nc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)sc1C ZINC001578678091 1078516276 /nfs/dbraw/zinc/51/62/76/1078516276.db2.gz FRLZLAYNTIHLRG-UHFFFAOYSA-N -1 3 363.428 2.836 20 5 FFBDHM Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C)c(C)c1-c1nn[n-]n1 ZINC001581041122 1078910614 /nfs/dbraw/zinc/91/06/14/1078910614.db2.gz JBOGBCFAWUCVIA-UHFFFAOYSA-N -1 3 353.338 2.919 20 5 FFBDHM Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1C ZINC001581194474 1078931864 /nfs/dbraw/zinc/93/18/64/1078931864.db2.gz GFAILRBICPXJLU-UHFFFAOYSA-N -1 3 353.386 2.610 20 5 FFBDHM Cc1ccc(CN(C)c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1C ZINC001581194474 1078931867 /nfs/dbraw/zinc/93/18/67/1078931867.db2.gz GFAILRBICPXJLU-UHFFFAOYSA-N -1 3 353.386 2.610 20 5 FFBDHM O=C(COc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001582129162 1079028231 /nfs/dbraw/zinc/02/82/31/1079028231.db2.gz VYHWLVDLKURIBR-UHFFFAOYSA-N -1 3 373.756 2.619 20 5 FFBDHM O=C(COc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001582129162 1079028236 /nfs/dbraw/zinc/02/82/36/1079028236.db2.gz VYHWLVDLKURIBR-UHFFFAOYSA-N -1 3 373.756 2.619 20 5 FFBDHM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001582664853 1079096591 /nfs/dbraw/zinc/09/65/91/1079096591.db2.gz CURQAMUYIRLHIQ-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001582664853 1079096594 /nfs/dbraw/zinc/09/65/94/1079096594.db2.gz CURQAMUYIRLHIQ-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001583359012 1079199066 /nfs/dbraw/zinc/19/90/66/1079199066.db2.gz VXBLQPWLNBYUQV-QMMMGPOBSA-N -1 3 370.287 2.672 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC001557313230 1075837425 /nfs/dbraw/zinc/83/74/25/1075837425.db2.gz HPDKGASMFFKEGU-UHFFFAOYSA-N -1 3 374.397 2.851 20 5 FFBDHM O=C(NCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([O-])cc1 ZINC001559072273 1076123213 /nfs/dbraw/zinc/12/32/13/1076123213.db2.gz VOTMMDBIVYEQGC-UHFFFAOYSA-N -1 3 370.287 2.556 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cnn(C(C)C)c2)c(F)cc1[N+](=O)[O-] ZINC001561243991 1076351105 /nfs/dbraw/zinc/35/11/05/1076351105.db2.gz JRXMOWQDFZXDLK-NSHDSACASA-N -1 3 370.406 2.859 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC001561314116 1076360960 /nfs/dbraw/zinc/36/09/60/1076360960.db2.gz SBAOOMLTENETCN-MLGOLLRUSA-N -1 3 374.434 2.772 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001561360007 1076367558 /nfs/dbraw/zinc/36/75/58/1076367558.db2.gz OWZHJLJQWJWOMV-MFKMUULPSA-N -1 3 370.452 2.755 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])s1 ZINC001561497016 1076384644 /nfs/dbraw/zinc/38/46/44/1076384644.db2.gz GOWBRZKFVVOIKU-RYUDHWBXSA-N -1 3 362.473 2.837 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CF)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001561854605 1076434158 /nfs/dbraw/zinc/43/41/58/1076434158.db2.gz BDYJZNSVJBQWEJ-ZDUSSCGKSA-N -1 3 372.349 2.732 20 5 FFBDHM CC(=O)Oc1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001589229534 1080434110 /nfs/dbraw/zinc/43/41/10/1080434110.db2.gz CSFKIPSIRJFRHX-SFHVURJKSA-N -1 3 358.350 2.610 20 5 FFBDHM CC(C)(C)c1cnc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001589234810 1080437492 /nfs/dbraw/zinc/43/74/92/1080437492.db2.gz TXAKMTFVAJOECM-UHFFFAOYSA-N -1 3 361.337 2.812 20 5 FFBDHM CC(C)(C)c1cnc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001589234810 1080437495 /nfs/dbraw/zinc/43/74/95/1080437495.db2.gz TXAKMTFVAJOECM-UHFFFAOYSA-N -1 3 361.337 2.812 20 5 FFBDHM CC(C)(C)c1nnc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])s1 ZINC001589245311 1080444058 /nfs/dbraw/zinc/44/40/58/1080444058.db2.gz XPRKGTKNPVMSLQ-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CC(C)(C)c1nnc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])s1 ZINC001589245311 1080444061 /nfs/dbraw/zinc/44/40/61/1080444061.db2.gz XPRKGTKNPVMSLQ-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CC(C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001589606663 1080632068 /nfs/dbraw/zinc/63/20/68/1080632068.db2.gz BGXQRNPFLCFQKY-UHFFFAOYSA-N -1 3 360.418 2.806 20 5 FFBDHM CC(C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001589606663 1080632079 /nfs/dbraw/zinc/63/20/79/1080632079.db2.gz BGXQRNPFLCFQKY-UHFFFAOYSA-N -1 3 360.418 2.806 20 5 FFBDHM CC(C)OC(=O)C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001589729953 1080690893 /nfs/dbraw/zinc/69/08/93/1080690893.db2.gz BXJWXMCEPKJAJX-CYBMUJFWSA-N -1 3 362.390 2.553 20 5 FFBDHM CC(C)OC(=O)C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001589729953 1080690898 /nfs/dbraw/zinc/69/08/98/1080690898.db2.gz BXJWXMCEPKJAJX-CYBMUJFWSA-N -1 3 362.390 2.553 20 5 FFBDHM C[C@@H](CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001589829176 1080781438 /nfs/dbraw/zinc/78/14/38/1080781438.db2.gz KOSJNFKPWJDDDR-NSHDSACASA-N -1 3 353.386 2.963 20 5 FFBDHM C[C@@H](CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001589829176 1080781446 /nfs/dbraw/zinc/78/14/46/1080781446.db2.gz KOSJNFKPWJDDDR-NSHDSACASA-N -1 3 353.386 2.963 20 5 FFBDHM C[C@@H](CCO)C1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001589833543 1080785629 /nfs/dbraw/zinc/78/56/29/1080785629.db2.gz NOROOCKANOVNQM-JTQLQIEISA-N -1 3 364.381 2.515 20 5 FFBDHM C[C@@H](CCO)C1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001589833543 1080785637 /nfs/dbraw/zinc/78/56/37/1080785637.db2.gz NOROOCKANOVNQM-JTQLQIEISA-N -1 3 364.381 2.515 20 5 FFBDHM C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001589876442 1080824893 /nfs/dbraw/zinc/82/48/93/1080824893.db2.gz WROVOVZIAPLYBD-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001589876442 1080824895 /nfs/dbraw/zinc/82/48/95/1080824895.db2.gz WROVOVZIAPLYBD-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC001589991136 1080926174 /nfs/dbraw/zinc/92/61/74/1080926174.db2.gz WVVNAGPNLSAEKE-QMMMGPOBSA-N -1 3 368.382 2.953 20 5 FFBDHM C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC001589991136 1080926177 /nfs/dbraw/zinc/92/61/77/1080926177.db2.gz WVVNAGPNLSAEKE-QMMMGPOBSA-N -1 3 368.382 2.953 20 5 FFBDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001590032473 1080958993 /nfs/dbraw/zinc/95/89/93/1080958993.db2.gz AXMYBFBCWJSNPE-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001590032473 1080958997 /nfs/dbraw/zinc/95/89/97/1080958997.db2.gz AXMYBFBCWJSNPE-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM CC1(C)CCC[C@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590095680 1081008718 /nfs/dbraw/zinc/00/87/18/1081008718.db2.gz CEHNHVPEONZREG-QGZVFWFLSA-N -1 3 360.418 2.908 20 5 FFBDHM CC1(C)CCC[C@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590095680 1081008722 /nfs/dbraw/zinc/00/87/22/1081008722.db2.gz CEHNHVPEONZREG-QGZVFWFLSA-N -1 3 360.418 2.908 20 5 FFBDHM C[C@]1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590152560 1081053951 /nfs/dbraw/zinc/05/39/51/1081053951.db2.gz DDWYYNQBEQIWFT-SFHVURJKSA-N -1 3 350.382 2.943 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331125420 258177818 /nfs/dbraw/zinc/17/78/18/258177818.db2.gz YOEUWRGQWFIQLD-KBPBESRZSA-N -1 3 356.444 2.694 20 5 FFBDHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000053671153 506426559 /nfs/dbraw/zinc/42/65/59/506426559.db2.gz MXSCTESKUYUQTP-SNVBAGLBSA-N -1 3 356.350 2.783 20 5 FFBDHM CCCCOCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044760142 506883347 /nfs/dbraw/zinc/88/33/47/506883347.db2.gz XITUUAOJYVLPFT-UHFFFAOYSA-N -1 3 350.824 2.733 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cnn(-c2ccccc2)c1 ZINC000056007892 506910018 /nfs/dbraw/zinc/91/00/18/506910018.db2.gz IKHDVXFPSRNNMU-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c(Cl)c1 ZINC000056057602 506919564 /nfs/dbraw/zinc/91/95/64/506919564.db2.gz GFCLYMGKZRBIOW-NSHDSACASA-N -1 3 368.798 2.530 20 5 FFBDHM CCOC(=O)c1cc(C(=O)[N-]c2nnc(C(C)C)s2)cc([N+](=O)[O-])c1 ZINC000045501633 506976232 /nfs/dbraw/zinc/97/62/32/506976232.db2.gz VCVVPJKRGGJSAC-UHFFFAOYSA-N -1 3 364.383 2.999 20 5 FFBDHM COC(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C ZINC000046354864 507121466 /nfs/dbraw/zinc/12/14/66/507121466.db2.gz XWNXGSHOCSGYKW-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047343229 507311784 /nfs/dbraw/zinc/31/17/84/507311784.db2.gz PXSKUMCPTQXSGX-UHFFFAOYSA-N -1 3 365.353 2.602 20 5 FFBDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047343229 507311790 /nfs/dbraw/zinc/31/17/90/507311790.db2.gz PXSKUMCPTQXSGX-UHFFFAOYSA-N -1 3 365.353 2.602 20 5 FFBDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000047343229 507311799 /nfs/dbraw/zinc/31/17/99/507311799.db2.gz PXSKUMCPTQXSGX-UHFFFAOYSA-N -1 3 365.353 2.602 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000057925709 507353455 /nfs/dbraw/zinc/35/34/55/507353455.db2.gz OYARUOUCJNSDRK-UHFFFAOYSA-N -1 3 362.835 2.876 20 5 FFBDHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccccc3[N+](=O)[O-])nc2)n1 ZINC000078454619 507872186 /nfs/dbraw/zinc/87/21/86/507872186.db2.gz VESKNNROBVAZRM-UHFFFAOYSA-N -1 3 365.393 2.957 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCn1cnc2ccccc21 ZINC000108404343 507893030 /nfs/dbraw/zinc/89/30/30/507893030.db2.gz QGNLNADFNYZDPN-UHFFFAOYSA-N -1 3 374.422 2.622 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000111358753 508093704 /nfs/dbraw/zinc/09/37/04/508093704.db2.gz LHVKYEPWWNFWJT-ZFWWWQNUSA-N -1 3 362.407 2.685 20 5 FFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000081021720 508126819 /nfs/dbraw/zinc/12/68/19/508126819.db2.gz DZDRWXNPTFRCBR-CQSZACIVSA-N -1 3 355.394 2.819 20 5 FFBDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000075943470 508145308 /nfs/dbraw/zinc/14/53/08/508145308.db2.gz PTFGXOLLOLUCGZ-AWEZNQCLSA-N -1 3 364.423 2.903 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100037350 508238140 /nfs/dbraw/zinc/23/81/40/508238140.db2.gz YEMFJLRWIYHNSW-UHFFFAOYSA-N -1 3 362.254 2.672 20 5 FFBDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000153330071 508572764 /nfs/dbraw/zinc/57/27/64/508572764.db2.gz UHILERVUGHDYLY-UHFFFAOYSA-N -1 3 369.468 2.968 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117113874 508579623 /nfs/dbraw/zinc/57/96/23/508579623.db2.gz PTYPHVNGJFGWIU-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117116656 508581224 /nfs/dbraw/zinc/58/12/24/508581224.db2.gz SZUCYESVNVOEGW-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000122896335 508604177 /nfs/dbraw/zinc/60/41/77/508604177.db2.gz VQNSTDRVTDZUNR-UHFFFAOYSA-N -1 3 362.473 2.982 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)[n-]c21 ZINC000157816757 508616808 /nfs/dbraw/zinc/61/68/08/508616808.db2.gz CYWFLSCMOQIMFZ-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc21 ZINC000157816757 508616811 /nfs/dbraw/zinc/61/68/11/508616811.db2.gz CYWFLSCMOQIMFZ-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000158659250 508736275 /nfs/dbraw/zinc/73/62/75/508736275.db2.gz BQVHBZYKENSQAC-LLVKDONJSA-N -1 3 367.427 2.898 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000158750428 508747868 /nfs/dbraw/zinc/74/78/68/508747868.db2.gz UMHDNPCEVDIZQG-QMMMGPOBSA-N -1 3 373.818 2.935 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000123928435 508759511 /nfs/dbraw/zinc/75/95/11/508759511.db2.gz NQJDYCPYAWHCJQ-IAQYHMDHSA-N -1 3 368.386 2.524 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)cc1C ZINC000124162879 508790645 /nfs/dbraw/zinc/79/06/45/508790645.db2.gz SORMMPUGCKJNTN-AWEZNQCLSA-N -1 3 358.460 2.535 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000159636868 508869642 /nfs/dbraw/zinc/86/96/42/508869642.db2.gz RMTHUIPJODSXSK-JTQLQIEISA-N -1 3 370.452 2.883 20 5 FFBDHM Cc1ccc(-c2nnc(NC(=O)CCNc3ccccc3[N+](=O)[O-])[n-]2)o1 ZINC000160377932 508978496 /nfs/dbraw/zinc/97/84/96/508978496.db2.gz FLXAXFCNDPMJKG-UHFFFAOYSA-N -1 3 356.342 2.722 20 5 FFBDHM Cc1ccc(-c2n[n-]c(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)o1 ZINC000160377932 508978500 /nfs/dbraw/zinc/97/85/00/508978500.db2.gz FLXAXFCNDPMJKG-UHFFFAOYSA-N -1 3 356.342 2.722 20 5 FFBDHM Cc1ccc(-c2nc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n[n-]2)o1 ZINC000160377932 508978503 /nfs/dbraw/zinc/97/85/03/508978503.db2.gz FLXAXFCNDPMJKG-UHFFFAOYSA-N -1 3 356.342 2.722 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000151493374 509028875 /nfs/dbraw/zinc/02/88/75/509028875.db2.gz PNLJJZBIBNVFTC-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000133388338 509153641 /nfs/dbraw/zinc/15/36/41/509153641.db2.gz KDEIEDOEASCLRJ-UHFFFAOYSA-N -1 3 368.333 2.507 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000133476167 509163843 /nfs/dbraw/zinc/16/38/43/509163843.db2.gz HFXRLWVFWBNZAG-UHFFFAOYSA-N -1 3 372.406 2.765 20 5 FFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000175888331 509201280 /nfs/dbraw/zinc/20/12/80/509201280.db2.gz PCFNWAFGARLTAU-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM Cc1cc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)ncc1[N+](=O)[O-] ZINC000266846835 509223316 /nfs/dbraw/zinc/22/33/16/509223316.db2.gz PLRMUTKKWZUAHN-UHFFFAOYSA-N -1 3 356.382 2.859 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000248510640 509346394 /nfs/dbraw/zinc/34/63/94/509346394.db2.gz AIQMLZOKQPSUPE-WQVCFCJDSA-N -1 3 361.398 2.559 20 5 FFBDHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186019485 509484165 /nfs/dbraw/zinc/48/41/65/509484165.db2.gz UMYKLJCABLMWFN-UONOGXRCSA-N -1 3 360.407 2.606 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c1C ZINC000186172622 509559203 /nfs/dbraw/zinc/55/92/03/509559203.db2.gz BAFNUOFFQJVVAP-CQSZACIVSA-N -1 3 356.444 2.839 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000186248246 509600631 /nfs/dbraw/zinc/60/06/31/509600631.db2.gz IQBZEJPGFPILFB-QMMMGPOBSA-N -1 3 360.388 2.844 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000186336184 509655928 /nfs/dbraw/zinc/65/59/28/509655928.db2.gz XHKPYQRNGGLAOT-VIFPVBQESA-N -1 3 374.415 2.714 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc2ncccc2c1 ZINC000193028707 509742847 /nfs/dbraw/zinc/74/28/47/509742847.db2.gz ROSMAUCLMMRCRK-UHFFFAOYSA-N -1 3 357.391 2.930 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000173806103 509789097 /nfs/dbraw/zinc/78/90/97/509789097.db2.gz UAGRIJYAYLKUMV-OAHLLOKOSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000170827530 509796725 /nfs/dbraw/zinc/79/67/25/509796725.db2.gz ILDZVNAADKIZGQ-CYBMUJFWSA-N -1 3 371.393 2.606 20 5 FFBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000177023157 509824088 /nfs/dbraw/zinc/82/40/88/509824088.db2.gz PISQPZQOEHJZHY-CQSZACIVSA-N -1 3 367.402 2.847 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000186689603 509854073 /nfs/dbraw/zinc/85/40/73/509854073.db2.gz NEBFDBTZTCDVJN-MRVPVSSYSA-N -1 3 361.832 2.787 20 5 FFBDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189982059 509866545 /nfs/dbraw/zinc/86/65/45/509866545.db2.gz QDMCHPZIINCQLD-LLVKDONJSA-N -1 3 367.427 2.726 20 5 FFBDHM Cc1ccc(-c2nsc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)s1 ZINC000193531718 509953067 /nfs/dbraw/zinc/95/30/67/509953067.db2.gz WDUSHRQEXPAWDB-UHFFFAOYSA-N -1 3 363.380 2.836 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000186982879 509985645 /nfs/dbraw/zinc/98/56/45/509985645.db2.gz ZIRXQSWPGHWCLD-VMPITWQZSA-N -1 3 366.370 2.734 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc(C2CC2)n1 ZINC000171484377 510187615 /nfs/dbraw/zinc/18/76/15/510187615.db2.gz NDHGZEXVHLCSGE-UHFFFAOYSA-N -1 3 356.367 2.966 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000190694888 510290539 /nfs/dbraw/zinc/29/05/39/510290539.db2.gz UZPHDZZTNSKXNQ-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM O=C(NC1CCN(CCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181879907 510638674 /nfs/dbraw/zinc/63/86/74/510638674.db2.gz UCYOMRPVODOVAZ-UHFFFAOYSA-N -1 3 369.421 2.737 20 5 FFBDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000188301092 510697933 /nfs/dbraw/zinc/69/79/33/510697933.db2.gz WTHNTLISABLQEF-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM O=C(O[C@H]([C@@H]1CCCO1)C(F)(F)F)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000270249785 510734491 /nfs/dbraw/zinc/73/44/91/510734491.db2.gz OZSDFXXWPTXFMY-CMPLNLGQSA-N -1 3 359.260 2.738 20 5 FFBDHM O=C(O[C@H]([C@@H]1CCCO1)C(F)(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000270249785 510734495 /nfs/dbraw/zinc/73/44/95/510734495.db2.gz OZSDFXXWPTXFMY-CMPLNLGQSA-N -1 3 359.260 2.738 20 5 FFBDHM O=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000270249792 510734795 /nfs/dbraw/zinc/73/47/95/510734795.db2.gz OZSDFXXWPTXFMY-PWSUYJOCSA-N -1 3 359.260 2.738 20 5 FFBDHM O=C(O[C@@H]([C@H]1CCCO1)C(F)(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000270249792 510734798 /nfs/dbraw/zinc/73/47/98/510734798.db2.gz OZSDFXXWPTXFMY-PWSUYJOCSA-N -1 3 359.260 2.738 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(cc(F)cc3OC)s2)n1 ZINC000191600955 510745760 /nfs/dbraw/zinc/74/57/60/510745760.db2.gz GQILBUJNPZDKBJ-UHFFFAOYSA-N -1 3 365.346 2.821 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ncoc1-c1ccccc1 ZINC000360143646 510875327 /nfs/dbraw/zinc/87/53/27/510875327.db2.gz ZOWAQFCISDPSRC-UHFFFAOYSA-N -1 3 359.363 2.728 20 5 FFBDHM C[C@@H](CON=C([O-])Nc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000271088660 511079070 /nfs/dbraw/zinc/07/90/70/511079070.db2.gz HQHRSJHDAJRIQV-JTQLQIEISA-N -1 3 354.363 2.561 20 5 FFBDHM C[C@@H](CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000271088660 511079073 /nfs/dbraw/zinc/07/90/73/511079073.db2.gz HQHRSJHDAJRIQV-JTQLQIEISA-N -1 3 354.363 2.561 20 5 FFBDHM CN(C)S(=O)(=O)c1ccc(Sc2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000322336434 511824426 /nfs/dbraw/zinc/82/44/26/511824426.db2.gz CIXZGGUXCUTNTH-UHFFFAOYSA-N -1 3 354.409 2.702 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CCCC1 ZINC000393150775 512930906 /nfs/dbraw/zinc/93/09/06/512930906.db2.gz XNOAXYGKYIIPBS-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000435648062 513648375 /nfs/dbraw/zinc/64/83/75/513648375.db2.gz PLMFOPCTNKIOCQ-UHFFFAOYSA-N -1 3 369.830 2.993 20 5 FFBDHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416488196 513799274 /nfs/dbraw/zinc/79/92/74/513799274.db2.gz LZZRZTZIPILETJ-UHFFFAOYSA-N -1 3 362.276 2.937 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]1(C)CCCC[C@H]1C ZINC000416514945 513812969 /nfs/dbraw/zinc/81/29/69/513812969.db2.gz JTHNWMGKOBTCAR-BZNIZROVSA-N -1 3 370.427 2.629 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416567379 513837198 /nfs/dbraw/zinc/83/71/98/513837198.db2.gz VTFLPVKBEYSQLE-UHFFFAOYSA-N -1 3 364.370 2.706 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000416610131 513867159 /nfs/dbraw/zinc/86/71/59/513867159.db2.gz WHEGRBWJHNIULQ-ZETCQYMHSA-N -1 3 374.312 2.609 20 5 FFBDHM CN(C)C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000436718486 513954907 /nfs/dbraw/zinc/95/49/07/513954907.db2.gz FHKZIBYZGIQBNZ-AWEZNQCLSA-N -1 3 363.801 2.987 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000451802094 513988166 /nfs/dbraw/zinc/98/81/66/513988166.db2.gz NEHSAPYSUYOLKN-CYBMUJFWSA-N -1 3 354.428 2.531 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000451802095 513988671 /nfs/dbraw/zinc/98/86/71/513988671.db2.gz NEHSAPYSUYOLKN-ZDUSSCGKSA-N -1 3 354.428 2.531 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCCc2ncccc2C)cc1[N+](=O)[O-] ZINC000451808533 513994180 /nfs/dbraw/zinc/99/41/80/513994180.db2.gz JTQZNZDBSAQRPV-UHFFFAOYSA-N -1 3 355.441 2.579 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C(C)C)[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000451839418 514015630 /nfs/dbraw/zinc/01/56/30/514015630.db2.gz CIEVBWTXAWQGFA-RISCZKNCSA-N -1 3 364.489 2.532 20 5 FFBDHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436936504 514041428 /nfs/dbraw/zinc/04/14/28/514041428.db2.gz UAMRFRTYWOTFOQ-INIZCTEOSA-N -1 3 355.394 2.867 20 5 FFBDHM CCC(=O)c1ccc(NCCNC(=O)c2ccc([O-])cc2)c([N+](=O)[O-])c1 ZINC000436957934 514049988 /nfs/dbraw/zinc/04/99/88/514049988.db2.gz YIDHDXYGSQMOCD-UHFFFAOYSA-N -1 3 357.366 2.735 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436959044 514051691 /nfs/dbraw/zinc/05/16/91/514051691.db2.gz LIAMSNQORAISHD-UKRRQHHQSA-N -1 3 355.394 2.866 20 5 FFBDHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000427248995 514162058 /nfs/dbraw/zinc/16/20/58/514162058.db2.gz KCENNLHEBHQPBS-GXTWGEPZSA-N -1 3 374.484 2.946 20 5 FFBDHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427913748 514345070 /nfs/dbraw/zinc/34/50/70/514345070.db2.gz LSNOLXPPTAPSAJ-OAHLLOKOSA-N -1 3 361.423 2.929 20 5 FFBDHM CC(C)Cn1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C(F)F ZINC000445142638 514426893 /nfs/dbraw/zinc/42/68/93/514426893.db2.gz XOHQBKGXPODHKG-UHFFFAOYSA-N -1 3 355.301 2.738 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000438768264 514439569 /nfs/dbraw/zinc/43/95/69/514439569.db2.gz COJKQRMKWPMDSP-UHFFFAOYSA-N -1 3 362.285 2.822 20 5 FFBDHM COc1ccc(OCCN2CCCC[C@H]2CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000424268245 514440436 /nfs/dbraw/zinc/44/04/36/514440436.db2.gz ZRLDDQGGIVYHDN-ZDUSSCGKSA-N -1 3 352.387 2.702 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000453014426 514599603 /nfs/dbraw/zinc/59/96/03/514599603.db2.gz GHPHZBKRRRPBGI-UHFFFAOYSA-N -1 3 364.427 2.810 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000453014426 514599607 /nfs/dbraw/zinc/59/96/07/514599607.db2.gz GHPHZBKRRRPBGI-UHFFFAOYSA-N -1 3 364.427 2.810 20 5 FFBDHM COC(=O)c1ccccc1N(C)C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000461441130 514618041 /nfs/dbraw/zinc/61/80/41/514618041.db2.gz BKMJDHVXKKYJPG-UHFFFAOYSA-N -1 3 354.322 2.534 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)COc1cccc(F)c1 ZINC000497773532 514631759 /nfs/dbraw/zinc/63/17/59/514631759.db2.gz IJMVKUWUOOISJO-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467078990 514891024 /nfs/dbraw/zinc/89/10/24/514891024.db2.gz LBUWZYQNCBEHBQ-UHFFFAOYSA-N -1 3 370.452 2.884 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000462309580 514986617 /nfs/dbraw/zinc/98/66/17/514986617.db2.gz BHWBTOLVKOIJOP-ZIAGYGMSSA-N -1 3 374.846 2.874 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCN2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000467423371 515002598 /nfs/dbraw/zinc/00/25/98/515002598.db2.gz MLVGPKFYWDICTK-GHMZBOCLSA-N -1 3 361.489 2.506 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000480694789 515047187 /nfs/dbraw/zinc/04/71/87/515047187.db2.gz NQXGKDRFMDYDDW-DLBZAZTESA-N -1 3 368.455 2.695 20 5 FFBDHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])nc21 ZINC000480725026 515059615 /nfs/dbraw/zinc/05/96/15/515059615.db2.gz JIUZHPOYBPYDFZ-UHFFFAOYSA-N -1 3 374.422 2.875 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)c1C ZINC000490095946 515102909 /nfs/dbraw/zinc/10/29/09/515102909.db2.gz FKWQUWVTTHUVTH-MRXNPFEDSA-N -1 3 370.471 2.677 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCC(C)CC1 ZINC000480952958 515149231 /nfs/dbraw/zinc/14/92/31/515149231.db2.gz KUWQTJQNKGYHGD-UHFFFAOYSA-N -1 3 356.444 2.777 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCC2 ZINC000462660473 515174189 /nfs/dbraw/zinc/17/41/89/515174189.db2.gz RVKVYKLMDQXGFY-CABCVRRESA-N -1 3 372.418 2.750 20 5 FFBDHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000462714646 515209697 /nfs/dbraw/zinc/20/96/97/515209697.db2.gz IJYQVCDENIGBKS-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCc1ccc(C)o1 ZINC000462718968 515211430 /nfs/dbraw/zinc/21/14/30/515211430.db2.gz DIXSWHJSQOKRIM-NSHDSACASA-N -1 3 368.411 2.804 20 5 FFBDHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000462719368 515212026 /nfs/dbraw/zinc/21/20/26/515212026.db2.gz GNDYJAMENIJHNG-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1F ZINC000476921911 515249980 /nfs/dbraw/zinc/24/99/80/515249980.db2.gz IJCAICXIGFODCE-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM Cc1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc2n[nH]cc21 ZINC000499287434 515270952 /nfs/dbraw/zinc/27/09/52/515270952.db2.gz TXBCJBCPHZHYKA-UHFFFAOYSA-N -1 3 360.395 2.764 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c([N+](=O)[O-])c1 ZINC000509777563 515321038 /nfs/dbraw/zinc/32/10/38/515321038.db2.gz MYSTXRFWZCFZDA-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000491610260 515461304 /nfs/dbraw/zinc/46/13/04/515461304.db2.gz OXSNFMLFAHZNEC-OPQQBVKSSA-N -1 3 360.407 2.846 20 5 FFBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000486636773 515572563 /nfs/dbraw/zinc/57/25/63/515572563.db2.gz GLGCGYYKHHWCEA-GXSJLCMTSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000486655107 515583624 /nfs/dbraw/zinc/58/36/24/515583624.db2.gz STOZQRBRBFUZFM-ONGXEEELSA-N -1 3 367.431 2.574 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)c1[N+](=O)[O-] ZINC000510642201 515620866 /nfs/dbraw/zinc/62/08/66/515620866.db2.gz ADBBTJLSONQABS-NSHDSACASA-N -1 3 353.375 2.785 20 5 FFBDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC000469244575 515738921 /nfs/dbraw/zinc/73/89/21/515738921.db2.gz JJBVKGUJXATRKR-NEPJUHHUSA-N -1 3 370.427 2.629 20 5 FFBDHM O=[N+]([O-])c1cc(C[N-]S(=O)(=O)c2ccco2)cc(C(F)(F)F)c1 ZINC000487356745 515836081 /nfs/dbraw/zinc/83/60/81/515836081.db2.gz AEIAWBNCHCICLJ-UHFFFAOYSA-N -1 3 350.274 2.685 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507542879 516237162 /nfs/dbraw/zinc/23/71/62/516237162.db2.gz GJZBBXQXAWQIMJ-UHFFFAOYSA-N -1 3 350.396 2.569 20 5 FFBDHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000497318092 516306245 /nfs/dbraw/zinc/30/62/45/516306245.db2.gz GANFVMSUGMXJHY-MRVPVSSYSA-N -1 3 363.233 2.824 20 5 FFBDHM CC(C)(C)c1ncc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cn1 ZINC000554546681 516499222 /nfs/dbraw/zinc/49/92/22/516499222.db2.gz HWACOHWJENRTCL-UHFFFAOYSA-N -1 3 366.381 2.747 20 5 FFBDHM COc1ccccc1-c1nc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000518290045 516603789 /nfs/dbraw/zinc/60/37/89/516603789.db2.gz HPGLBLLTYUQVBQ-UHFFFAOYSA-N -1 3 357.301 2.780 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000525182910 516947554 /nfs/dbraw/zinc/94/75/54/516947554.db2.gz FXGMONGJXPGPCL-LLVKDONJSA-N -1 3 370.814 2.994 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000525182911 516948018 /nfs/dbraw/zinc/94/80/18/516948018.db2.gz FXGMONGJXPGPCL-NSHDSACASA-N -1 3 370.814 2.994 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000545234702 517121858 /nfs/dbraw/zinc/12/18/58/517121858.db2.gz IHCCUASHOAWILQ-SECBINFHSA-N -1 3 358.445 2.782 20 5 FFBDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000541830463 517237649 /nfs/dbraw/zinc/23/76/49/517237649.db2.gz VPDYBIHQYQEEDJ-SNVBAGLBSA-N -1 3 355.441 2.750 20 5 FFBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533159408 517320494 /nfs/dbraw/zinc/32/04/94/517320494.db2.gz YSEJYHIPQQMFJJ-UHFFFAOYSA-N -1 3 350.714 2.977 20 5 FFBDHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c[nH]c2c1 ZINC000526129197 517359361 /nfs/dbraw/zinc/35/93/61/517359361.db2.gz XVRZUTFPBSSOEL-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM C[C@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000515487323 517376716 /nfs/dbraw/zinc/37/67/16/517376716.db2.gz UNWUHDYRBQKSDY-JQWIXIFHSA-N -1 3 353.806 2.653 20 5 FFBDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000538346394 517577322 /nfs/dbraw/zinc/57/73/22/517577322.db2.gz ODJWVDFKJMMMPH-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000538537052 517660545 /nfs/dbraw/zinc/66/05/45/517660545.db2.gz HYJFUNDHQGGSCV-ZIAGYGMSSA-N -1 3 356.444 2.775 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000542933110 517823969 /nfs/dbraw/zinc/82/39/69/517823969.db2.gz WVNVWFXWBWKIPQ-UHFFFAOYSA-N -1 3 352.368 2.721 20 5 FFBDHM CCOC(=O)c1cc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])c(F)cc1C ZINC000557124787 517867667 /nfs/dbraw/zinc/86/76/67/517867667.db2.gz YSNAGEWYQVYCMY-UHFFFAOYSA-N -1 3 350.306 2.503 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000539859330 518172787 /nfs/dbraw/zinc/17/27/87/518172787.db2.gz ITHCJFQLQBJBRD-CQSZACIVSA-N -1 3 350.396 2.569 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000581398990 518265127 /nfs/dbraw/zinc/26/51/27/518265127.db2.gz PULVUVFQLZMYFD-ZBFHGGJFSA-N -1 3 362.407 2.793 20 5 FFBDHM O=C([O-])c1cc(N2CCN(CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000575991737 518377984 /nfs/dbraw/zinc/37/79/84/518377984.db2.gz AVFUITVRQONWQD-UHFFFAOYSA-N -1 3 361.423 2.719 20 5 FFBDHM Cc1cc(N2CCN(C)[C@H](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570520465 518647134 /nfs/dbraw/zinc/64/71/34/518647134.db2.gz ZNBWZMGKPATQDG-MRXNPFEDSA-N -1 3 369.421 2.965 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCc3cc(N)ccc32)c1[N+](=O)[O-] ZINC000576769362 518755756 /nfs/dbraw/zinc/75/57/56/518755756.db2.gz PETCBZBRQIPXMS-OAHLLOKOSA-N -1 3 361.423 2.760 20 5 FFBDHM Cc1cc(OCC(=O)[N-]c2nncn2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000571001168 518878990 /nfs/dbraw/zinc/87/89/90/518878990.db2.gz NBABCBTWLQGTBA-UHFFFAOYSA-N -1 3 367.365 2.561 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582804379 518930878 /nfs/dbraw/zinc/93/08/78/518930878.db2.gz ATWHSHSJDUPKLA-UHFFFAOYSA-N -1 3 351.366 2.861 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000582912278 518982048 /nfs/dbraw/zinc/98/20/48/518982048.db2.gz XSGBGRCTDOWYLF-GXTWGEPZSA-N -1 3 356.382 2.935 20 5 FFBDHM CC(C)([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000590586440 519275906 /nfs/dbraw/zinc/27/59/06/519275906.db2.gz NHBWSXLJETUQAX-UHFFFAOYSA-N -1 3 362.407 2.676 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCN(CC2CCC2)CC1 ZINC000584055903 519568494 /nfs/dbraw/zinc/56/84/94/519568494.db2.gz VLMHSIMIAMMIBU-UHFFFAOYSA-N -1 3 367.833 2.902 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000592104344 520187610 /nfs/dbraw/zinc/18/76/10/520187610.db2.gz TYAYWRGWGANOBE-UHFFFAOYSA-N -1 3 364.370 2.549 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccccn1 ZINC000609196910 520228625 /nfs/dbraw/zinc/22/86/25/520228625.db2.gz CAAJHEPJBFHNGX-AWEZNQCLSA-N -1 3 365.411 2.818 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccccc2OC)[n-][nH]1 ZINC000609201523 520230510 /nfs/dbraw/zinc/23/05/10/520230510.db2.gz KBEVWIHRDUTABR-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM COc1cc(CNc2ccnc(C)c2Br)cc([N+](=O)[O-])c1[O-] ZINC000616955333 520255818 /nfs/dbraw/zinc/25/58/18/520255818.db2.gz DEAGWOFNOHWZIY-UHFFFAOYSA-N -1 3 368.187 2.809 20 5 FFBDHM CCc1cc(C(=O)N[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000600535842 520311863 /nfs/dbraw/zinc/31/18/63/520311863.db2.gz JHPCNCKONWNZBP-IBGZPJMESA-N -1 3 372.377 2.681 20 5 FFBDHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCC[C@@H]21 ZINC000600676506 520392414 /nfs/dbraw/zinc/39/24/14/520392414.db2.gz VYNLKAIIUHTHRX-RBSFLKMASA-N -1 3 372.381 2.720 20 5 FFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000603956607 520415380 /nfs/dbraw/zinc/41/53/80/520415380.db2.gz WYVUXJHJIXMCJM-HNNXBMFYSA-N -1 3 373.450 2.523 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000603958628 520415400 /nfs/dbraw/zinc/41/54/00/520415400.db2.gz DMSMIPHHPWMGAQ-GWCFXTLKSA-N -1 3 366.395 2.798 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000609802358 520438821 /nfs/dbraw/zinc/43/88/21/520438821.db2.gz UOFBWAVIGPCIBV-GFCCVEGCSA-N -1 3 366.420 2.729 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000609802359 520439589 /nfs/dbraw/zinc/43/95/89/520439589.db2.gz UOFBWAVIGPCIBV-LBPRGKRZSA-N -1 3 366.420 2.729 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)O)c1C ZINC000595409539 520451687 /nfs/dbraw/zinc/45/16/87/520451687.db2.gz UERYZPWGYHPYBP-XJKSGUPXSA-N -1 3 364.423 2.612 20 5 FFBDHM O=C(Nc1ccc(OCc2ccccc2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604175628 520469993 /nfs/dbraw/zinc/46/99/93/520469993.db2.gz ULTWEFIHVCARHY-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000604490222 520577914 /nfs/dbraw/zinc/57/79/14/520577914.db2.gz MUTPNBQBBOJHPK-UHFFFAOYSA-N -1 3 361.423 2.692 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000610269599 520616506 /nfs/dbraw/zinc/61/65/06/520616506.db2.gz UYYOZJIQAQYTEO-LSDHHAIUSA-N -1 3 354.428 2.611 20 5 FFBDHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598619195 520746550 /nfs/dbraw/zinc/74/65/50/520746550.db2.gz LLPIZSONNWPKET-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM COc1cc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])ccc1OC(F)F ZINC000596055488 520882059 /nfs/dbraw/zinc/88/20/59/520882059.db2.gz UJRCXCBDLOXCMU-UHFFFAOYSA-N -1 3 355.297 2.942 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1noc2c1COCC2 ZINC000598943534 520934832 /nfs/dbraw/zinc/93/48/32/520934832.db2.gz UOGRVLWCJRKRDH-UHFFFAOYSA-N -1 3 357.244 2.927 20 5 FFBDHM O=C(CNc1cc[n-]c(=O)c1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000596150433 520940327 /nfs/dbraw/zinc/94/03/27/520940327.db2.gz AEPWZBTYFMHHNY-UHFFFAOYSA-N -1 3 370.409 2.589 20 5 FFBDHM C[C@@H]1C[C@H]1c1noc(CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596292480 521012521 /nfs/dbraw/zinc/01/25/21/521012521.db2.gz IWJCCXPJRHMAFL-ZYHUDNBSSA-N -1 3 359.386 2.661 20 5 FFBDHM CC(C)(C)OC(=O)C(C)(C)n1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596447156 521074426 /nfs/dbraw/zinc/07/44/26/521074426.db2.gz MHMMYOPSHZHIJJ-UHFFFAOYSA-N -1 3 363.374 2.712 20 5 FFBDHM CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000593748811 521191706 /nfs/dbraw/zinc/19/17/06/521191706.db2.gz WBIWGFKSTBCRBZ-UHFFFAOYSA-N -1 3 360.366 2.569 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000599445262 521233056 /nfs/dbraw/zinc/23/30/56/521233056.db2.gz NGYINKLDDIQBPO-LLVKDONJSA-N -1 3 358.391 2.767 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000619472898 521586527 /nfs/dbraw/zinc/58/65/27/521586527.db2.gz MMJHRGRZWOHRLF-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000619472847 521586576 /nfs/dbraw/zinc/58/65/76/521586576.db2.gz HYQPOCOFSOFFEB-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](Oc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738368962 598830851 /nfs/dbraw/zinc/83/08/51/598830851.db2.gz GPVILAHJMBVKPI-OAHLLOKOSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](Oc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738368962 598830853 /nfs/dbraw/zinc/83/08/53/598830853.db2.gz GPVILAHJMBVKPI-OAHLLOKOSA-N -1 3 366.381 2.823 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cccc([N+](=O)[O-])c1C ZINC000737031955 598938111 /nfs/dbraw/zinc/93/81/11/598938111.db2.gz GCOYFLPIQVFHSK-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cccc([N+](=O)[O-])c1C ZINC000737031955 598938113 /nfs/dbraw/zinc/93/81/13/598938113.db2.gz GCOYFLPIQVFHSK-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCCC2 ZINC000736611951 598977328 /nfs/dbraw/zinc/97/73/28/598977328.db2.gz KXZVOCDCSDCGKU-JKSUJKDBSA-N -1 3 372.429 2.949 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCCC2 ZINC000736611951 598977330 /nfs/dbraw/zinc/97/73/30/598977330.db2.gz KXZVOCDCSDCGKU-JKSUJKDBSA-N -1 3 372.429 2.949 20 5 FFBDHM O=[N+]([O-])c1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000738368649 599047741 /nfs/dbraw/zinc/04/77/41/599047741.db2.gz HEOBHYJJMSAJDG-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM O=[N+]([O-])c1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000738368649 599047744 /nfs/dbraw/zinc/04/77/44/599047744.db2.gz HEOBHYJJMSAJDG-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM O=[N+]([O-])c1cc(F)cc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823634704 607327702 /nfs/dbraw/zinc/32/77/02/607327702.db2.gz KJIYASCGVNXMFP-UHFFFAOYSA-N -1 3 359.317 2.762 20 5 FFBDHM CCOc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC000736645469 598362757 /nfs/dbraw/zinc/36/27/57/598362757.db2.gz YHOHZEUJRNVKNJ-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC000736645469 598362758 /nfs/dbraw/zinc/36/27/58/598362758.db2.gz YHOHZEUJRNVKNJ-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736157270 598482991 /nfs/dbraw/zinc/48/29/91/598482991.db2.gz JMWXSMWWQIJZPI-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736157270 598482993 /nfs/dbraw/zinc/48/29/93/598482993.db2.gz JMWXSMWWQIJZPI-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737378476 598613775 /nfs/dbraw/zinc/61/37/75/598613775.db2.gz SMOHFOAIWAPEHX-AWEZNQCLSA-N -1 3 352.354 2.937 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737378476 598613776 /nfs/dbraw/zinc/61/37/76/598613776.db2.gz SMOHFOAIWAPEHX-AWEZNQCLSA-N -1 3 352.354 2.937 20 5 FFBDHM O=[N+]([O-])c1sccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738374933 598756858 /nfs/dbraw/zinc/75/68/58/598756858.db2.gz UBKNDIOIXRNCKQ-UHFFFAOYSA-N -1 3 372.410 2.884 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737062397 599374443 /nfs/dbraw/zinc/37/44/43/599374443.db2.gz KHWGXKPCKYBSKR-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737062397 599374446 /nfs/dbraw/zinc/37/44/46/599374446.db2.gz KHWGXKPCKYBSKR-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCOC3CCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823644692 599499451 /nfs/dbraw/zinc/49/94/51/599499451.db2.gz KOSVVLOCYGRTEX-UHFFFAOYSA-N -1 3 369.385 2.694 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCOC3CCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823644692 599499452 /nfs/dbraw/zinc/49/94/52/599499452.db2.gz KOSVVLOCYGRTEX-UHFFFAOYSA-N -1 3 369.385 2.694 20 5 FFBDHM O=C([O-])CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739793213 599866331 /nfs/dbraw/zinc/86/63/31/599866331.db2.gz COOFXIIVJFOONK-UHFFFAOYSA-N -1 3 366.320 2.839 20 5 FFBDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826282347 607523086 /nfs/dbraw/zinc/52/30/86/607523086.db2.gz JUXDFWGWQQRGBL-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826282347 607523088 /nfs/dbraw/zinc/52/30/88/607523088.db2.gz JUXDFWGWQQRGBL-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM COc1cc(C(C)=O)ccc1Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826177266 607543525 /nfs/dbraw/zinc/54/35/25/607543525.db2.gz AOEXADLMVQTTIY-UHFFFAOYSA-N -1 3 372.366 2.532 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC000823639991 606172654 /nfs/dbraw/zinc/17/26/54/606172654.db2.gz OJRZATPQNLFXBA-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC000823639991 606172655 /nfs/dbraw/zinc/17/26/55/606172655.db2.gz OJRZATPQNLFXBA-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823344062 606271107 /nfs/dbraw/zinc/27/11/07/606271107.db2.gz PHVXLLBBBFRGSW-UHFFFAOYSA-N -1 3 368.284 2.913 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823344062 606271110 /nfs/dbraw/zinc/27/11/10/606271110.db2.gz PHVXLLBBBFRGSW-UHFFFAOYSA-N -1 3 368.284 2.913 20 5 FFBDHM CNc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821637873 606398217 /nfs/dbraw/zinc/39/82/17/606398217.db2.gz XEYIHEYBGQEVBX-JTQLQIEISA-N -1 3 368.353 2.735 20 5 FFBDHM CNc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821637873 606398219 /nfs/dbraw/zinc/39/82/19/606398219.db2.gz XEYIHEYBGQEVBX-JTQLQIEISA-N -1 3 368.353 2.735 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822982202 606754019 /nfs/dbraw/zinc/75/40/19/606754019.db2.gz BVWSGZROBGEREP-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822982202 606754020 /nfs/dbraw/zinc/75/40/20/606754020.db2.gz BVWSGZROBGEREP-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM COc1ccc(OCCSc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821846207 607013922 /nfs/dbraw/zinc/01/39/22/607013922.db2.gz OFMBITWMLDHQIT-UHFFFAOYSA-N -1 3 373.394 2.955 20 5 FFBDHM COc1ccc(OCCSc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000821846207 607013923 /nfs/dbraw/zinc/01/39/23/607013923.db2.gz OFMBITWMLDHQIT-UHFFFAOYSA-N -1 3 373.394 2.955 20 5 FFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000823450216 607250046 /nfs/dbraw/zinc/25/00/46/607250046.db2.gz KEHDFPWBJAYMQP-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000823450216 607250047 /nfs/dbraw/zinc/25/00/47/607250047.db2.gz KEHDFPWBJAYMQP-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM CCc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825704867 607786351 /nfs/dbraw/zinc/78/63/51/607786351.db2.gz ORUQJYOEQKSOLZ-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CCc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825704867 607786352 /nfs/dbraw/zinc/78/63/52/607786352.db2.gz ORUQJYOEQKSOLZ-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1COc2ccccc21 ZINC000824657519 607850193 /nfs/dbraw/zinc/85/01/93/607850193.db2.gz QSTBTSYJICTBGK-IINYFYTJSA-N -1 3 352.354 2.752 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000824657519 607850194 /nfs/dbraw/zinc/85/01/94/607850194.db2.gz QSTBTSYJICTBGK-IINYFYTJSA-N -1 3 352.354 2.752 20 5 FFBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826498858 607864257 /nfs/dbraw/zinc/86/42/57/607864257.db2.gz MLMGUNLIJKABAV-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826498858 607864258 /nfs/dbraw/zinc/86/42/58/607864258.db2.gz MLMGUNLIJKABAV-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826498316 607874301 /nfs/dbraw/zinc/87/43/01/607874301.db2.gz PIMRHPUOOCHLBC-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826498316 607874302 /nfs/dbraw/zinc/87/43/02/607874302.db2.gz PIMRHPUOOCHLBC-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000826466836 607929080 /nfs/dbraw/zinc/92/90/80/607929080.db2.gz VRDYJCPIXDCSRA-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000826466836 607929081 /nfs/dbraw/zinc/92/90/81/607929081.db2.gz VRDYJCPIXDCSRA-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826304179 608008864 /nfs/dbraw/zinc/00/88/64/608008864.db2.gz AKSOYCHQMMMZBG-UHFFFAOYSA-N -1 3 371.378 2.781 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826304179 608008865 /nfs/dbraw/zinc/00/88/65/608008865.db2.gz AKSOYCHQMMMZBG-UHFFFAOYSA-N -1 3 371.378 2.781 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825986179 608272039 /nfs/dbraw/zinc/27/20/39/608272039.db2.gz SDMTUFXEDGLNLR-UHFFFAOYSA-N -1 3 365.397 2.685 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825986179 608272040 /nfs/dbraw/zinc/27/20/40/608272040.db2.gz SDMTUFXEDGLNLR-UHFFFAOYSA-N -1 3 365.397 2.685 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824479400 608432659 /nfs/dbraw/zinc/43/26/59/608432659.db2.gz MZEZDHVCEVUUKU-HCRIHEDKSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824479400 608432661 /nfs/dbraw/zinc/43/26/61/608432661.db2.gz MZEZDHVCEVUUKU-HCRIHEDKSA-N -1 3 364.365 2.666 20 5 FFBDHM CO[C@H]1Cc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2C1 ZINC000826147466 609592792 /nfs/dbraw/zinc/59/27/92/609592792.db2.gz YMHPQCYYONQABX-AWEZNQCLSA-N -1 3 352.354 2.632 20 5 FFBDHM CO[C@H]1Cc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2C1 ZINC000826147466 609592795 /nfs/dbraw/zinc/59/27/95/609592795.db2.gz YMHPQCYYONQABX-AWEZNQCLSA-N -1 3 352.354 2.632 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC=CO2)c(C(F)(F)F)c1 ZINC000780899752 738586674 /nfs/dbraw/zinc/58/66/74/738586674.db2.gz SCIQSFCUENOCJR-SNVBAGLBSA-N -1 3 366.317 2.585 20 5 FFBDHM O=C([N-]C[C@H]1CC[C@H](C(F)(F)F)O1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000927567962 738751161 /nfs/dbraw/zinc/75/11/61/738751161.db2.gz DDNRCUMVCIKHNS-GHMZBOCLSA-N -1 3 368.258 2.913 20 5 FFBDHM C[C@@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000910454884 737076510 /nfs/dbraw/zinc/07/65/10/737076510.db2.gz GJDRBXWVSNXUCM-SNVBAGLBSA-N -1 3 361.320 2.599 20 5 FFBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775433068 738092395 /nfs/dbraw/zinc/09/23/95/738092395.db2.gz TXDUTPYPCMFODP-UHFFFAOYSA-N -1 3 364.671 2.707 20 5 FFBDHM CN(C(=O)COC(=O)c1cccc(Cl)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000775928645 738143281 /nfs/dbraw/zinc/14/32/81/738143281.db2.gz FUIVBIUYOGECLM-UHFFFAOYSA-N -1 3 364.741 2.774 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000800052376 740479273 /nfs/dbraw/zinc/47/92/73/740479273.db2.gz TXKMNMOCJGAQDJ-UHFFFAOYSA-N -1 3 352.343 2.873 20 5 FFBDHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000811832001 741564825 /nfs/dbraw/zinc/56/48/25/741564825.db2.gz KQWMHNXOMKFMFV-UHFFFAOYSA-N -1 3 356.791 2.510 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)cc2F)c(F)c1 ZINC000815077162 741896646 /nfs/dbraw/zinc/89/66/46/741896646.db2.gz AGNDPWYNGFIWAO-UHFFFAOYSA-N -1 3 364.276 2.630 20 5 FFBDHM CCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)o1 ZINC000832494392 745707952 /nfs/dbraw/zinc/70/79/52/745707952.db2.gz NOYUKIKKDFMDLE-UHFFFAOYSA-N -1 3 359.791 2.586 20 5 FFBDHM CC[C@@H](C)C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000843617871 747867358 /nfs/dbraw/zinc/86/73/58/747867358.db2.gz GXYBJKVAHBTAOQ-MFKMUULPSA-N -1 3 358.341 2.781 20 5 FFBDHM CC[C@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000843617870 747867381 /nfs/dbraw/zinc/86/73/81/747867381.db2.gz GXYBJKVAHBTAOQ-GXFFZTMASA-N -1 3 358.341 2.781 20 5 FFBDHM COC(=O)[C@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000843683856 747875758 /nfs/dbraw/zinc/87/57/58/747875758.db2.gz VAZFJZWYVZHUSC-LBPRGKRZSA-N -1 3 358.341 2.781 20 5 FFBDHM O=C([N-]C[C@@H]1CC1(Cl)Cl)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580529 748965735 /nfs/dbraw/zinc/96/57/35/748965735.db2.gz XFOMAKKVZFQZIH-ZETCQYMHSA-N -1 3 355.124 2.876 20 5 FFBDHM Cc1ccc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)nc1C ZINC000848590144 748967788 /nfs/dbraw/zinc/96/77/88/748967788.db2.gz BNNXFUDEUATGGO-UHFFFAOYSA-N -1 3 351.309 2.895 20 5 FFBDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001573551214 946870211 /nfs/dbraw/zinc/87/02/11/946870211.db2.gz HYSMHHODRKVYDF-UHFFFAOYSA-N -1 3 366.337 2.538 20 5 FFBDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001573551214 946870226 /nfs/dbraw/zinc/87/02/26/946870226.db2.gz HYSMHHODRKVYDF-UHFFFAOYSA-N -1 3 366.337 2.538 20 5 FFBDHM COc1cccc(C(=O)C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC001175552766 1013509619 /nfs/dbraw/zinc/50/96/19/1013509619.db2.gz LXIDURZPZANRSY-UHFFFAOYSA-N -1 3 364.304 2.694 20 5 FFBDHM COc1cccc([C@@H]2CN(Cc3ccc([O-])c(OC)c3[N+](=O)[O-])CCO2)c1 ZINC000891928786 965419326 /nfs/dbraw/zinc/41/93/26/965419326.db2.gz JNUUOSMWRIRGKS-KRWDZBQOSA-N -1 3 374.393 2.891 20 5 FFBDHM COc1cc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc(OC)c1OC ZINC000785315302 975137348 /nfs/dbraw/zinc/13/73/48/975137348.db2.gz JOCLBHHBSOOXTG-UHFFFAOYSA-N -1 3 373.321 2.716 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436934605 980561675 /nfs/dbraw/zinc/56/16/75/980561675.db2.gz UAWGJNVTPFKIGQ-UHFFFAOYSA-N -1 3 370.321 2.734 20 5 FFBDHM CC[C@H](c1ccccc1)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001137021128 997320874 /nfs/dbraw/zinc/32/08/74/997320874.db2.gz KIUALDWBMJIPFY-MRXNPFEDSA-N -1 3 370.409 2.605 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001183455713 1002280106 /nfs/dbraw/zinc/28/01/06/1002280106.db2.gz WOPWOXWRTWUXRN-HNNXBMFYSA-N -1 3 359.348 2.855 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)nc1 ZINC001185264539 1002890293 /nfs/dbraw/zinc/89/02/93/1002890293.db2.gz PVJIXVSDGLAHCM-UHFFFAOYSA-N -1 3 357.391 2.664 20 5 FFBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000804372713 1003627824 /nfs/dbraw/zinc/62/78/24/1003627824.db2.gz WKDUNXHGCDYEFN-UHFFFAOYSA-N -1 3 356.338 2.894 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ncc(Cl)s2)c(F)cc1[N+](=O)[O-] ZINC001194401149 1004722790 /nfs/dbraw/zinc/72/27/90/1004722790.db2.gz OCECYOLCBZEABA-UHFFFAOYSA-N -1 3 365.795 2.631 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCC(C)(C)CO2)c([N+](=O)[O-])s1 ZINC001195472482 1004971268 /nfs/dbraw/zinc/97/12/68/1004971268.db2.gz MICAIMJWUTYOQS-NSHDSACASA-N -1 3 362.473 2.838 20 5 FFBDHM COC(=O)c1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)c1 ZINC001199801459 1005031869 /nfs/dbraw/zinc/03/18/69/1005031869.db2.gz FAKQRJAMVKJWPK-UHFFFAOYSA-N -1 3 368.143 2.988 20 5 FFBDHM CS(=O)(=O)c1ccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)cnc2c1 ZINC001199828323 1005043666 /nfs/dbraw/zinc/04/36/66/1005043666.db2.gz GLSQGNZKSQSXSV-UHFFFAOYSA-N -1 3 359.363 2.996 20 5 FFBDHM CCOC(=O)C=Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000776428929 1005667183 /nfs/dbraw/zinc/66/71/83/1005667183.db2.gz AFHWRMHKJKYXFI-VMPITWQZSA-N -1 3 357.322 2.524 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000856794265 1007976788 /nfs/dbraw/zinc/97/67/88/1007976788.db2.gz PKQYZMMGKVVLDZ-PIGZYNQJSA-N -1 3 364.402 2.579 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCc1c(C)nc(C)[n-]c1=O)CC2 ZINC000773990428 1010416857 /nfs/dbraw/zinc/41/68/57/1010416857.db2.gz RWMZPASFQCZELP-UHFFFAOYSA-N -1 3 356.382 2.538 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001275489708 1012534442 /nfs/dbraw/zinc/53/44/42/1012534442.db2.gz DHNICMPKMORGQR-OLZOCXBDSA-N -1 3 368.328 2.656 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001275489708 1012534448 /nfs/dbraw/zinc/53/44/48/1012534448.db2.gz DHNICMPKMORGQR-OLZOCXBDSA-N -1 3 368.328 2.656 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1C ZINC001118381943 1022204350 /nfs/dbraw/zinc/20/43/50/1022204350.db2.gz NSABJHLJXXPQLL-UTUOFQBUSA-N -1 3 360.382 2.924 20 5 FFBDHM CC1(C)C[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)CC[NH2+]1 ZINC001218478830 1033172174 /nfs/dbraw/zinc/17/21/74/1033172174.db2.gz OVUHSZHLQRWZAA-NSHDSACASA-N -1 3 371.389 2.972 20 5 FFBDHM O=C(Nc1nc2ccccc2n1CC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001155939131 1028983499 /nfs/dbraw/zinc/98/34/99/1028983499.db2.gz PXGKTFSVRCWEDG-UHFFFAOYSA-N -1 3 353.338 2.707 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])c([N-][C@@H](c2cccnc2)C(F)(F)F)n1 ZINC001156163626 1029071032 /nfs/dbraw/zinc/07/10/32/1029071032.db2.gz VCHNLKDICKVMGG-NSHDSACASA-N -1 3 356.260 2.887 20 5 FFBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001156285185 1029126540 /nfs/dbraw/zinc/12/65/40/1029126540.db2.gz FFRWNZORMWCEJU-LBPRGKRZSA-N -1 3 357.345 2.720 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000798343423 1031368148 /nfs/dbraw/zinc/36/81/48/1031368148.db2.gz GLVCMCJDAHSCHU-GXDHUFHOSA-N -1 3 353.334 2.717 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001149789802 1031594740 /nfs/dbraw/zinc/59/47/40/1031594740.db2.gz OSPPZOLXHWBDLD-UHFFFAOYSA-N -1 3 367.365 2.769 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661771 1034354930 /nfs/dbraw/zinc/35/49/30/1034354930.db2.gz OYLGLMHKFTYPRX-SJCJKPOMSA-N -1 3 365.386 2.864 20 5 FFBDHM Cc1cc2[n-]c(O[C@@H]3C=CO[C@@H]4COC(C)(C)O[C@@H]34)nc2cc1[N+](=O)[O-] ZINC001228673262 1036248332 /nfs/dbraw/zinc/24/83/32/1036248332.db2.gz DUTITMGSEXZYMO-KFWWJZLASA-N -1 3 361.354 2.591 20 5 FFBDHM CCN(CC)C(=O)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228688468 1036260426 /nfs/dbraw/zinc/26/04/26/1036260426.db2.gz JFSNPVTVXDTOAP-QGZVFWFLSA-N -1 3 359.382 2.992 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2n[n-]c(-c3ccncc3)n2)C1 ZINC001228700738 1036275000 /nfs/dbraw/zinc/27/50/00/1036275000.db2.gz YAGWNABSQWSTOI-LBPRGKRZSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc([O-])c1OC1CCN(CCF)CC1 ZINC001234877751 1037218223 /nfs/dbraw/zinc/21/82/23/1037218223.db2.gz QSFZYOKINSPVRM-UHFFFAOYSA-N -1 3 363.183 2.876 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCC1 ZINC001210670358 1039659058 /nfs/dbraw/zinc/65/90/58/1039659058.db2.gz BQWSEAZJQLHUIJ-UHFFFAOYSA-N -1 3 360.407 2.527 20 5 FFBDHM COc1c([O-])ccc(CN(C)CC(=O)N(C)C2CCCCC2)c1[N+](=O)[O-] ZINC001262368940 1041661481 /nfs/dbraw/zinc/66/14/81/1041661481.db2.gz PQOLORBDNMAKOK-UHFFFAOYSA-N -1 3 365.430 2.532 20 5 FFBDHM Cn1cc(Br)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC001264330279 1042663909 /nfs/dbraw/zinc/66/39/09/1042663909.db2.gz BMYJQDBERICWAM-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM CN(C)c1cc(F)c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1[N+](=O)[O-] ZINC001298306936 1050412219 /nfs/dbraw/zinc/41/22/19/1050412219.db2.gz UGSYEPHRDZPACS-UHFFFAOYSA-N -1 3 359.317 2.634 20 5 FFBDHM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)sc1C ZINC001309238657 1052580720 /nfs/dbraw/zinc/58/07/20/1052580720.db2.gz UGVVNQFLVWUADX-UHFFFAOYSA-N -1 3 359.404 2.594 20 5 FFBDHM CCOC(=O)c1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OCC)s1 ZINC001351261378 1056161268 /nfs/dbraw/zinc/16/12/68/1056161268.db2.gz YIEIZFHFIPQMGC-UHFFFAOYSA-N -1 3 365.367 2.879 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC001544711413 1071681030 /nfs/dbraw/zinc/68/10/30/1071681030.db2.gz ZZWKBSGVMNCGBD-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001455665809 1059858969 /nfs/dbraw/zinc/85/89/69/1059858969.db2.gz OYUPTDLWYYDWBT-UHFFFAOYSA-N -1 3 360.395 2.620 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1cccc([N+](=O)[O-])c1 ZINC001475154651 1060970875 /nfs/dbraw/zinc/97/08/75/1060970875.db2.gz AEPMEPLAJMUXNM-NSHDSACASA-N -1 3 357.338 2.698 20 5 FFBDHM O=c1[n-]ccc(NCc2cc3c(cc2OC(F)F)OCO3)c1[N+](=O)[O-] ZINC001472730005 1065136669 /nfs/dbraw/zinc/13/66/69/1065136669.db2.gz ZUDHPRPDNWKRDY-UHFFFAOYSA-N -1 3 355.253 2.638 20 5 FFBDHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1(C)C ZINC001475014459 1065673090 /nfs/dbraw/zinc/67/30/90/1065673090.db2.gz MIDMRFLJYJPQBT-ZFWWWQNUSA-N -1 3 360.407 2.524 20 5 FFBDHM CCOc1ccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1OC ZINC001578397918 1078469681 /nfs/dbraw/zinc/46/96/81/1078469681.db2.gz DLQOXLLOUHMAIB-UHFFFAOYSA-N -1 3 356.342 2.926 20 5 FFBDHM CCOc1ccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1OC ZINC001578397918 1078469683 /nfs/dbraw/zinc/46/96/83/1078469683.db2.gz DLQOXLLOUHMAIB-UHFFFAOYSA-N -1 3 356.342 2.926 20 5 FFBDHM Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc(-c2nnn[n-]2)c1 ZINC001580983517 1078902020 /nfs/dbraw/zinc/90/20/20/1078902020.db2.gz MPKWBKMVWZYDBI-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)cc(-c2nn[n-]n2)c1 ZINC001580983517 1078902027 /nfs/dbraw/zinc/90/20/27/1078902027.db2.gz MPKWBKMVWZYDBI-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cc2ccccc2s1 ZINC001582803367 1079108312 /nfs/dbraw/zinc/10/83/12/1079108312.db2.gz FGQGFEDASRNJJZ-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cc2ccccc2s1 ZINC001582803367 1079108317 /nfs/dbraw/zinc/10/83/17/1079108317.db2.gz FGQGFEDASRNJJZ-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC001583302645 1079189731 /nfs/dbraw/zinc/18/97/31/1079189731.db2.gz LKVJGJOWCMQEHE-UHFFFAOYSA-N -1 3 355.354 2.545 20 5 FFBDHM O=Cc1ccc(OCC(=O)Nc2c([O-])cccc2Cl)c([N+](=O)[O-])c1 ZINC001556784068 1075775393 /nfs/dbraw/zinc/77/53/93/1075775393.db2.gz JLNFGOQNQKCOPK-UHFFFAOYSA-N -1 3 350.714 2.784 20 5 FFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)cc1 ZINC001561150621 1076339032 /nfs/dbraw/zinc/33/90/32/1076339032.db2.gz QJUOZLIHGUSYKH-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c(F)cc1[N+](=O)[O-] ZINC001561165957 1076341306 /nfs/dbraw/zinc/34/13/06/1076341306.db2.gz IBCRCOCCYFRMJC-UHFFFAOYSA-N -1 3 360.313 2.799 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)c([N+](=O)[O-])s1 ZINC001561210211 1076346869 /nfs/dbraw/zinc/34/68/69/1076346869.db2.gz NHJNNHJEQDOLHI-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC001561548905 1076391556 /nfs/dbraw/zinc/39/15/56/1076391556.db2.gz HVTFEFPSIQZHOZ-UHFFFAOYSA-N -1 3 367.402 2.657 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2C[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC001561916837 1076444674 /nfs/dbraw/zinc/44/46/74/1076444674.db2.gz DTJAOFJRGGLHFF-CLYYMRHHSA-N -1 3 360.432 2.686 20 5 FFBDHM CC(C)(C)OC(=O)C1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCC1 ZINC001589149166 1080386980 /nfs/dbraw/zinc/38/69/80/1080386980.db2.gz GMEZKFVPSSAVOH-UHFFFAOYSA-N -1 3 374.401 2.699 20 5 FFBDHM CC(C)(C)OC(=O)C1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCC1 ZINC001589149166 1080386990 /nfs/dbraw/zinc/38/69/90/1080386990.db2.gz GMEZKFVPSSAVOH-UHFFFAOYSA-N -1 3 374.401 2.699 20 5 FFBDHM CC(C)(C)c1nnc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)s1 ZINC001589244515 1080442625 /nfs/dbraw/zinc/44/26/25/1080442625.db2.gz AYZDCWGVAFRQEE-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001589318793 1080480794 /nfs/dbraw/zinc/48/07/94/1080480794.db2.gz ANABEFUZKODSRP-UHFFFAOYSA-N -1 3 370.344 2.579 20 5 FFBDHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001589318793 1080480799 /nfs/dbraw/zinc/48/07/99/1080480799.db2.gz ANABEFUZKODSRP-UHFFFAOYSA-N -1 3 370.344 2.579 20 5 FFBDHM CC(C)c1ccc(C(=O)NOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001589768129 1080720836 /nfs/dbraw/zinc/72/08/36/1080720836.db2.gz LRMQEJFCFHOABC-UHFFFAOYSA-N -1 3 368.353 2.622 20 5 FFBDHM CC(C)c1ccc(C(=O)NOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001589768129 1080720843 /nfs/dbraw/zinc/72/08/43/1080720843.db2.gz LRMQEJFCFHOABC-UHFFFAOYSA-N -1 3 368.353 2.622 20 5 FFBDHM C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])Oc1ccccc1F ZINC001589876566 1080824874 /nfs/dbraw/zinc/82/48/74/1080824874.db2.gz ZOQQUEXQASFZSV-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])Oc1ccccc1F ZINC001589876566 1080824875 /nfs/dbraw/zinc/82/48/75/1080824875.db2.gz ZOQQUEXQASFZSV-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589920241 1080860865 /nfs/dbraw/zinc/86/08/65/1080860865.db2.gz WYAGUOHTIDVDTQ-NEPJUHHUSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H](C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589920241 1080860868 /nfs/dbraw/zinc/86/08/68/1080860868.db2.gz WYAGUOHTIDVDTQ-NEPJUHHUSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589938462 1080883711 /nfs/dbraw/zinc/88/37/11/1080883711.db2.gz INWBJEJYWIRXAV-QMMMGPOBSA-N -1 3 359.371 2.719 20 5 FFBDHM C[C@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589938462 1080883722 /nfs/dbraw/zinc/88/37/22/1080883722.db2.gz INWBJEJYWIRXAV-QMMMGPOBSA-N -1 3 359.371 2.719 20 5 FFBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001589942400 1080885161 /nfs/dbraw/zinc/88/51/61/1080885161.db2.gz DMUTVSUQZSGNIR-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001589942400 1080885171 /nfs/dbraw/zinc/88/51/71/1080885171.db2.gz DMUTVSUQZSGNIR-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(-c2nnn[n-]2)cc1 ZINC001589990678 1080925484 /nfs/dbraw/zinc/92/54/84/1080925484.db2.gz TYAIQDZDOQAZAE-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(-c2nn[n-]n2)cc1 ZINC001589990678 1080925488 /nfs/dbraw/zinc/92/54/88/1080925488.db2.gz TYAIQDZDOQAZAE-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM CC1(C)C[C@H](NCc2nc(-c3nnn[n-]3)cs2)c2cc([N+](=O)[O-])ccc21 ZINC001590083833 1080997779 /nfs/dbraw/zinc/99/77/79/1080997779.db2.gz KVYJSGRNKYKMLO-LBPRGKRZSA-N -1 3 371.426 2.744 20 5 FFBDHM CC1(C)C[C@H](NCc2nc(-c3nn[n-]n3)cs2)c2cc([N+](=O)[O-])ccc21 ZINC001590083833 1080997784 /nfs/dbraw/zinc/99/77/84/1080997784.db2.gz KVYJSGRNKYKMLO-LBPRGKRZSA-N -1 3 371.426 2.744 20 5 FFBDHM CC1CCC2(CC1)OC[C@@H](CNc1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)O2 ZINC001590242719 1081116287 /nfs/dbraw/zinc/11/62/87/1081116287.db2.gz WZFZCXCPGYVYQI-OFKYTCTHSA-N -1 3 374.401 2.509 20 5 FFBDHM Cc1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2I)no1 ZINC000037285969 205025344 /nfs/dbraw/zinc/02/53/44/205025344.db2.gz DCEOELJMQWGSDO-UHFFFAOYSA-N -1 3 373.106 2.748 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000163340718 251184488 /nfs/dbraw/zinc/18/44/88/251184488.db2.gz WOYLRBOMYGEICL-ZBFHGGJFSA-N -1 3 362.407 2.793 20 5 FFBDHM COc1cc(C[NH2+]CC2(CC(=O)[O-])CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000276925739 256143267 /nfs/dbraw/zinc/14/32/67/256143267.db2.gz AWERKNMPHHHIPO-UHFFFAOYSA-N -1 3 352.387 2.824 20 5 FFBDHM NC(=O)c1cc([N+](=O)[O-])cnc1[N-]c1cnn(-c2ccc(Cl)cc2)c1 ZINC000302348227 258099496 /nfs/dbraw/zinc/09/94/96/258099496.db2.gz CXBOMFNGPZEEFS-UHFFFAOYSA-N -1 3 358.745 2.671 20 5 FFBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000311306448 258115300 /nfs/dbraw/zinc/11/53/00/258115300.db2.gz KKWXWMOEFKUVKS-UHFFFAOYSA-N -1 3 355.394 2.695 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccccc1-n1cccn1 ZINC000065795785 506369020 /nfs/dbraw/zinc/36/90/20/506369020.db2.gz QSNHQJZYASHPPB-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000067433558 506878274 /nfs/dbraw/zinc/87/82/74/506878274.db2.gz NCEWBGMCWORRPR-ZIAGYGMSSA-N -1 3 350.371 2.877 20 5 FFBDHM CCN(CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000014096864 506965921 /nfs/dbraw/zinc/96/59/21/506965921.db2.gz SVMFZPCZGSCTDJ-UHFFFAOYSA-N -1 3 363.439 2.708 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056409829 507007657 /nfs/dbraw/zinc/00/76/57/507007657.db2.gz HEGCWLAOOKRDAF-UHFFFAOYSA-N -1 3 374.378 2.700 20 5 FFBDHM COC(=O)c1cc(C(=O)[N-]c2nnc(C(C)C)s2)cc([N+](=O)[O-])c1 ZINC000016965632 507110868 /nfs/dbraw/zinc/11/08/68/507110868.db2.gz CJMGGWQYOUTJQH-UHFFFAOYSA-N -1 3 350.356 2.609 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060496634 507553190 /nfs/dbraw/zinc/55/31/90/507553190.db2.gz ZUIWEINJAYIRKZ-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1ccsc1 ZINC000060509853 507554320 /nfs/dbraw/zinc/55/43/20/507554320.db2.gz IYWODEWBGKNVEW-SNVBAGLBSA-N -1 3 356.425 2.574 20 5 FFBDHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060500135 507554452 /nfs/dbraw/zinc/55/44/52/507554452.db2.gz RENQFPITJDBASR-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CC(=O)Nc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000028040267 507703780 /nfs/dbraw/zinc/70/37/80/507703780.db2.gz KVODRLSJPLLGGI-LLVKDONJSA-N -1 3 363.395 2.593 20 5 FFBDHM Cc1noc(C)c1[N-]C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000063447485 507731461 /nfs/dbraw/zinc/73/14/61/507731461.db2.gz ZXPBLKSWCRRUCD-UHFFFAOYSA-N -1 3 374.382 2.732 20 5 FFBDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000063773804 507770144 /nfs/dbraw/zinc/77/01/44/507770144.db2.gz RDISGYHEEPRACZ-UHFFFAOYSA-N -1 3 364.423 2.860 20 5 FFBDHM COc1ccc2c(c1)N(C(=O)c1n[n-]c3ccc([N+](=O)[O-])cc31)CCO2 ZINC000081279448 508154987 /nfs/dbraw/zinc/15/49/87/508154987.db2.gz RGZZEBKIDJVJMW-UHFFFAOYSA-N -1 3 354.322 2.519 20 5 FFBDHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3ccc([N+](=O)[O-])cc3)c[n-]c12 ZINC000122203961 508498360 /nfs/dbraw/zinc/49/83/60/508498360.db2.gz ACOMMSCRVKLIFQ-UHFFFAOYSA-N -1 3 369.352 2.856 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)cc1C ZINC000127807103 508502820 /nfs/dbraw/zinc/50/28/20/508502820.db2.gz YFTUURYXFLLOMW-HOCLYGCPSA-N -1 3 370.471 2.821 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000116378079 508504348 /nfs/dbraw/zinc/50/43/48/508504348.db2.gz MFUZHFOCPYEMAY-UHFFFAOYSA-N -1 3 371.440 2.582 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134555003 508546954 /nfs/dbraw/zinc/54/69/54/508546954.db2.gz KGDMGCMRKZZRHX-UHFFFAOYSA-N -1 3 369.786 2.872 20 5 FFBDHM CCn1cnnc1C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000158213658 508673108 /nfs/dbraw/zinc/67/31/08/508673108.db2.gz PLISBSGTGAESOS-UHFFFAOYSA-N -1 3 360.252 2.745 20 5 FFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000123896052 508755122 /nfs/dbraw/zinc/75/51/22/508755122.db2.gz FPJXGSRLBUSFGJ-UHFFFAOYSA-N -1 3 358.280 2.563 20 5 FFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000123896052 508755125 /nfs/dbraw/zinc/75/51/25/508755125.db2.gz FPJXGSRLBUSFGJ-UHFFFAOYSA-N -1 3 358.280 2.563 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC(OC(C)C)CC1 ZINC000159373306 508832450 /nfs/dbraw/zinc/83/24/50/508832450.db2.gz HCCRUMUHZCWLJC-UHFFFAOYSA-N -1 3 356.444 2.918 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000124605388 508857404 /nfs/dbraw/zinc/85/74/04/508857404.db2.gz BVJDJBQQVGRQMT-NWDGAFQWSA-N -1 3 360.457 2.591 20 5 FFBDHM O=C([N-]c1ncc(Cc2ccc(F)c(F)c2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000159634588 508869575 /nfs/dbraw/zinc/86/95/75/508869575.db2.gz KTZILBGEYVMQQA-UHFFFAOYSA-N -1 3 365.321 2.896 20 5 FFBDHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000155020981 508904901 /nfs/dbraw/zinc/90/49/01/508904901.db2.gz ICPREISFZWHOML-CYBMUJFWSA-N -1 3 364.851 2.570 20 5 FFBDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000125065261 508926001 /nfs/dbraw/zinc/92/60/01/508926001.db2.gz FLPGMJBRIHMMJW-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM COCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000120464220 509002064 /nfs/dbraw/zinc/00/20/64/509002064.db2.gz IVVSHUIHNMVNIE-UHFFFAOYSA-N -1 3 374.382 2.544 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000162003842 509168840 /nfs/dbraw/zinc/16/88/40/509168840.db2.gz XWYCLEBNVRGENX-AWEZNQCLSA-N -1 3 356.444 2.513 20 5 FFBDHM CCSc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccn1 ZINC000188640432 509187506 /nfs/dbraw/zinc/18/75/06/509187506.db2.gz HXTTVGJLIQFZKE-UHFFFAOYSA-N -1 3 367.452 2.889 20 5 FFBDHM CCOC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000188644027 509189131 /nfs/dbraw/zinc/18/91/31/509189131.db2.gz DAHDWKAIVCMETA-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM COc1cccc(CN(CCN(C)C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000191957181 509263543 /nfs/dbraw/zinc/26/35/43/509263543.db2.gz UTNLYDJNQHLABU-UHFFFAOYSA-N -1 3 373.409 2.513 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000172887782 509293805 /nfs/dbraw/zinc/29/38/05/509293805.db2.gz HVNJWNMRCGOPPW-UHFFFAOYSA-N -1 3 364.361 2.835 20 5 FFBDHM CC(C)c1nnc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cn21 ZINC000189084921 509403418 /nfs/dbraw/zinc/40/34/18/509403418.db2.gz ZOUUGVCCKXEBMI-UHFFFAOYSA-N -1 3 365.353 2.890 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000186169289 509557860 /nfs/dbraw/zinc/55/78/60/509557860.db2.gz BCMQGRFMULVITL-SNVBAGLBSA-N -1 3 354.359 2.782 20 5 FFBDHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173595746 509666511 /nfs/dbraw/zinc/66/65/11/509666511.db2.gz CWRGGCUPFASQCI-MRVPVSSYSA-N -1 3 360.388 2.844 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)N(C)C ZINC000192865715 509677171 /nfs/dbraw/zinc/67/71/71/509677171.db2.gz FYYQEGNUTUDYII-NHYWBVRUSA-N -1 3 369.468 2.626 20 5 FFBDHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000173807659 509789083 /nfs/dbraw/zinc/78/90/83/509789083.db2.gz SUJNOLLWRJZTCS-UHFFFAOYSA-N -1 3 369.468 2.752 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000180188026 509801273 /nfs/dbraw/zinc/80/12/73/509801273.db2.gz ZZKGYHJWKZDOSG-OAHLLOKOSA-N -1 3 372.349 2.539 20 5 FFBDHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000180194576 509805934 /nfs/dbraw/zinc/80/59/34/509805934.db2.gz UACQGHZZSHTSGF-JTQLQIEISA-N -1 3 371.440 2.707 20 5 FFBDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])nc12 ZINC000180250454 509834455 /nfs/dbraw/zinc/83/44/55/509834455.db2.gz RUTUQLASWXFYEH-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCc2nccs2)c1 ZINC000183613454 509888146 /nfs/dbraw/zinc/88/81/46/509888146.db2.gz OLSXQJPYENJWRI-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)c1[N+](=O)[O-] ZINC000190036737 509899679 /nfs/dbraw/zinc/89/96/79/509899679.db2.gz XCQWRTQHEUYKKM-AWEZNQCLSA-N -1 3 358.460 2.535 20 5 FFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccc(Br)cc21 ZINC000187090267 510050713 /nfs/dbraw/zinc/05/07/13/510050713.db2.gz IMZCNLHAKZYFEP-UHFFFAOYSA-N -1 3 364.155 2.661 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000268969750 510166720 /nfs/dbraw/zinc/16/67/20/510166720.db2.gz LFDRYNNVUXXSGW-JTQLQIEISA-N -1 3 360.819 2.628 20 5 FFBDHM COC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1Br ZINC000191334938 510611740 /nfs/dbraw/zinc/61/17/40/510611740.db2.gz VMEUYBGPBDTELL-UHFFFAOYSA-N -1 3 369.127 2.989 20 5 FFBDHM COc1cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000270126558 510685999 /nfs/dbraw/zinc/68/59/99/510685999.db2.gz PAIZAILWGXYXKP-FTJNGKRUSA-N -1 3 364.423 2.897 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172416477 510715821 /nfs/dbraw/zinc/71/58/21/510715821.db2.gz ZEMFTIUSHUEOTN-UHFFFAOYSA-N -1 3 356.313 2.555 20 5 FFBDHM CCOC(=O)c1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc(C)c1CC ZINC000271033673 511063493 /nfs/dbraw/zinc/06/34/93/511063493.db2.gz PQCHFADUYAHPLV-UHFFFAOYSA-N -1 3 366.399 2.690 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000291944380 511401357 /nfs/dbraw/zinc/40/13/57/511401357.db2.gz NMAYPPAZICVFSV-BMIGLBTASA-N -1 3 368.436 2.637 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000323898568 511831859 /nfs/dbraw/zinc/83/18/59/511831859.db2.gz JKJMIUIENUEZSV-OAHLLOKOSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1cc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000274832606 511956963 /nfs/dbraw/zinc/95/69/63/511956963.db2.gz RQARASPNLJZSAN-NSHDSACASA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1cc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000274832606 511956967 /nfs/dbraw/zinc/95/69/67/511956967.db2.gz RQARASPNLJZSAN-NSHDSACASA-N -1 3 368.390 2.870 20 5 FFBDHM C[C@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382601035 512877697 /nfs/dbraw/zinc/87/76/97/512877697.db2.gz RNYUAFVHYSZFDQ-AWEZNQCLSA-N -1 3 370.409 2.789 20 5 FFBDHM C[C@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397997918 512952359 /nfs/dbraw/zinc/95/23/59/512952359.db2.gz CQYDTVZLVTURHX-GXTWGEPZSA-N -1 3 356.382 2.763 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000398069952 512953265 /nfs/dbraw/zinc/95/32/65/512953265.db2.gz ITKRMJSWJNQISC-YOEHRIQHSA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1nc(C)c(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000433827437 513161382 /nfs/dbraw/zinc/16/13/82/513161382.db2.gz AABJJEOPCJUZKT-UHFFFAOYSA-N -1 3 369.468 2.969 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425000520 513360744 /nfs/dbraw/zinc/36/07/44/513360744.db2.gz BWBAPZRHBULXPP-MAUKXSAKSA-N -1 3 367.405 2.647 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000447029323 513384828 /nfs/dbraw/zinc/38/48/28/513384828.db2.gz QSLOLMSXTBZKDX-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCOC2 ZINC000416088212 513565917 /nfs/dbraw/zinc/56/59/17/513565917.db2.gz AMWFHMYUJJXYHL-UHFFFAOYSA-N -1 3 368.392 2.829 20 5 FFBDHM Cc1ccnc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)n1 ZINC000441543808 513592939 /nfs/dbraw/zinc/59/29/39/513592939.db2.gz IXDWDPUAOGZNTG-UHFFFAOYSA-N -1 3 367.321 2.838 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000442777242 513778471 /nfs/dbraw/zinc/77/84/71/513778471.db2.gz CZIQJFGMIFCXFQ-GHMZBOCLSA-N -1 3 360.407 2.990 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000416475498 513791551 /nfs/dbraw/zinc/79/15/51/513791551.db2.gz JTBIDUISTQCBPI-BZBKMWRSSA-N -1 3 350.318 2.690 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CC(=O)c1ccccc1 ZINC000431071262 513818382 /nfs/dbraw/zinc/81/83/82/513818382.db2.gz UJEBOZDZOHVLFX-ZDUSSCGKSA-N -1 3 362.407 2.843 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OCC1CC1 ZINC000416596606 513856896 /nfs/dbraw/zinc/85/68/96/513856896.db2.gz MWCHCHVIOCGZTI-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM COc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)ccc1[N+](=O)[O-] ZINC000431618922 513944987 /nfs/dbraw/zinc/94/49/87/513944987.db2.gz RCKYIPFMYLYBPF-CQSZACIVSA-N -1 3 372.349 2.888 20 5 FFBDHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000451823765 514005977 /nfs/dbraw/zinc/00/59/77/514005977.db2.gz KRIWXYMDKCQQLK-QGZVFWFLSA-N -1 3 364.423 2.576 20 5 FFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N(c1ccccc1)[C@@H]1CCOC1 ZINC000436867261 514015346 /nfs/dbraw/zinc/01/53/46/514015346.db2.gz CKWXAKGXFPZVBB-CQSZACIVSA-N -1 3 352.350 2.907 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1F ZINC000414400360 514093647 /nfs/dbraw/zinc/09/36/47/514093647.db2.gz WVSCMMLMBZZIKT-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451997704 514121504 /nfs/dbraw/zinc/12/15/04/514121504.db2.gz RNSFJDQONHVXDM-CQSZACIVSA-N -1 3 361.423 2.844 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414456879 514128580 /nfs/dbraw/zinc/12/85/80/514128580.db2.gz UZOMHLNTRBEKLR-LBPRGKRZSA-N -1 3 352.334 2.831 20 5 FFBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000444216935 514157033 /nfs/dbraw/zinc/15/70/33/514157033.db2.gz CWELIGIEOALWHD-IUCAKERBSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1cc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000424275079 514444385 /nfs/dbraw/zinc/44/43/85/514444385.db2.gz ZKVOWQQDUXJOGJ-OTYXRUKQSA-N -1 3 374.340 2.890 20 5 FFBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1OCCN(C)C ZINC000458191469 514613471 /nfs/dbraw/zinc/61/34/71/514613471.db2.gz GSEMBPCOASQALR-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM Cc1ncc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000480026500 514815258 /nfs/dbraw/zinc/81/52/58/514815258.db2.gz PUKCOQIRLATLBT-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000467043071 514874804 /nfs/dbraw/zinc/87/48/04/514874804.db2.gz DRVAHIYEBLPUIU-LLVKDONJSA-N -1 3 354.409 2.636 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCCC2 ZINC000467074838 514890023 /nfs/dbraw/zinc/89/00/23/514890023.db2.gz MXEGJHDADBHTJG-OLZOCXBDSA-N -1 3 374.484 2.981 20 5 FFBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1nnn[n-]1 ZINC000485416504 515031815 /nfs/dbraw/zinc/03/18/15/515031815.db2.gz KFYGMRAWDKQFTO-JTQLQIEISA-N -1 3 357.349 2.549 20 5 FFBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1nn[n-]n1 ZINC000485416504 515031819 /nfs/dbraw/zinc/03/18/19/515031819.db2.gz KFYGMRAWDKQFTO-JTQLQIEISA-N -1 3 357.349 2.549 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)c1C ZINC000481007701 515170766 /nfs/dbraw/zinc/17/07/66/515170766.db2.gz RAEPQKXXOSEYPQ-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCCC2 ZINC000462681831 515185969 /nfs/dbraw/zinc/18/59/69/515185969.db2.gz RHGLRZOTESJROK-GJZGRUSLSA-N -1 3 368.455 2.919 20 5 FFBDHM CC(=O)Nc1cccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000499076429 515189720 /nfs/dbraw/zinc/18/97/20/515189720.db2.gz QJXXBYSUUBXHDZ-UHFFFAOYSA-N -1 3 365.349 2.618 20 5 FFBDHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])cc1F ZINC000467993671 515189922 /nfs/dbraw/zinc/18/99/22/515189922.db2.gz LUSOOIIQMLOAFD-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)Oc1ccc(F)cc1 ZINC000462706493 515200434 /nfs/dbraw/zinc/20/04/34/515200434.db2.gz OLMCNXUDXAYVGV-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000499642105 515396400 /nfs/dbraw/zinc/39/64/00/515396400.db2.gz MKSYPSBAKGDWCW-QPUJVOFHSA-N -1 3 363.233 2.824 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1 ZINC000481880526 515498217 /nfs/dbraw/zinc/49/82/17/515498217.db2.gz DASYMFMQUITDJY-UHFFFAOYSA-N -1 3 354.771 2.984 20 5 FFBDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000510363078 515516118 /nfs/dbraw/zinc/51/61/18/515516118.db2.gz KKPIBXDGDOIKIG-QWHCGFSZSA-N -1 3 367.427 2.596 20 5 FFBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000486631726 515569961 /nfs/dbraw/zinc/56/99/61/515569961.db2.gz QLUFYRBWQXQNQD-YUMQZZPRSA-N -1 3 373.460 2.636 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)(C)C ZINC000510566726 515588679 /nfs/dbraw/zinc/58/86/79/515588679.db2.gz UZKNGKMFPCBSEO-CYBMUJFWSA-N -1 3 358.460 2.941 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000510581770 515595189 /nfs/dbraw/zinc/59/51/89/515595189.db2.gz AWXREQWMNFISDT-HNNXBMFYSA-N -1 3 358.460 2.941 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000477838905 515610890 /nfs/dbraw/zinc/61/08/90/515610890.db2.gz VOXLZVPJTRHLTF-YDHLFZDLSA-N -1 3 361.398 2.559 20 5 FFBDHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000463848657 515638931 /nfs/dbraw/zinc/63/89/31/515638931.db2.gz KHOYVFQXVZWFAG-ZIAGYGMSSA-N -1 3 360.407 2.604 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463867930 515649023 /nfs/dbraw/zinc/64/90/23/515649023.db2.gz UICZKVBEGODODE-UONOGXRCSA-N -1 3 356.444 2.774 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000486829357 515652316 /nfs/dbraw/zinc/65/23/16/515652316.db2.gz WSQVJRYQHMCMEN-GDGBQDQQSA-N -1 3 350.318 2.690 20 5 FFBDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000469305038 515762974 /nfs/dbraw/zinc/76/29/74/515762974.db2.gz NMRFCUMLCVMTNU-UHFFFAOYSA-N -1 3 363.757 2.842 20 5 FFBDHM C[C@@H]1CCCC[C@H]1OCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000500574307 515776180 /nfs/dbraw/zinc/77/61/80/515776180.db2.gz MXYCFVRYNFYRPI-MLGOLLRUSA-N -1 3 358.398 2.941 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCO[C@H]1CC(C)C ZINC000478786006 515963491 /nfs/dbraw/zinc/96/34/91/515963491.db2.gz YQIBHKYSTMWXTM-ZFWWWQNUSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000474303632 515981390 /nfs/dbraw/zinc/98/13/90/515981390.db2.gz PQDHRPQLCZYFKF-LBPRGKRZSA-N -1 3 368.798 2.969 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000474310210 515985806 /nfs/dbraw/zinc/98/58/06/515985806.db2.gz LCGDWZNWRPIPFH-CQSZACIVSA-N -1 3 368.798 2.801 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000512177789 516183878 /nfs/dbraw/zinc/18/38/78/516183878.db2.gz FJZLAUUMLGMAAN-ZDUSSCGKSA-N -1 3 372.443 2.548 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000507435314 516210909 /nfs/dbraw/zinc/21/09/09/516210909.db2.gz KUZUNXWQSBYEDW-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM O=C(Nc1cc(Br)ccn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000507602851 516260943 /nfs/dbraw/zinc/26/09/43/516260943.db2.gz DQVMXLZQYMEJGI-UHFFFAOYSA-N -1 3 362.143 2.881 20 5 FFBDHM CC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000517488857 516341209 /nfs/dbraw/zinc/34/12/09/516341209.db2.gz XPLOCJCJIKZCBI-UHFFFAOYSA-N -1 3 363.233 2.968 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1 ZINC000543662630 516353661 /nfs/dbraw/zinc/35/36/61/516353661.db2.gz KOLWWHQXFHNUNI-UHFFFAOYSA-N -1 3 373.394 2.798 20 5 FFBDHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000522973864 516363918 /nfs/dbraw/zinc/36/39/18/516363918.db2.gz OYIGCOHSAJLCDS-NSHDSACASA-N -1 3 372.443 2.859 20 5 FFBDHM Cc1cccc(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000535893325 516546051 /nfs/dbraw/zinc/54/60/51/516546051.db2.gz UOEHXVWTAOQHPF-UHFFFAOYSA-N -1 3 364.379 2.536 20 5 FFBDHM COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)sc2c1CCCC2 ZINC000531635139 516565500 /nfs/dbraw/zinc/56/55/00/516565500.db2.gz DKJQQBYQWKFVNT-UHFFFAOYSA-N -1 3 361.379 2.969 20 5 FFBDHM CC(C)(C)n1cnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000544108601 516587130 /nfs/dbraw/zinc/58/71/30/516587130.db2.gz JWKILIDVFCASRY-UHFFFAOYSA-N -1 3 355.301 2.795 20 5 FFBDHM C[C@@H](Oc1cccc(F)c1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523834730 516589255 /nfs/dbraw/zinc/58/92/55/516589255.db2.gz HKJWKNOESSQRAO-LLVKDONJSA-N -1 3 370.340 2.952 20 5 FFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000524242799 516676375 /nfs/dbraw/zinc/67/63/75/516676375.db2.gz JYDFWUUUUKOJOK-LLVKDONJSA-N -1 3 350.824 2.732 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccc3c(c2F)CCNC3=O)c1 ZINC000551692540 516823170 /nfs/dbraw/zinc/82/31/70/516823170.db2.gz ODGMILQIRVDYMH-UHFFFAOYSA-N -1 3 373.340 2.671 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000525086640 516911583 /nfs/dbraw/zinc/91/15/83/516911583.db2.gz FOOUUSZNYUDIBU-UHFFFAOYSA-N -1 3 373.390 2.636 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000537119871 517043158 /nfs/dbraw/zinc/04/31/58/517043158.db2.gz KWODVSHJLAKTLY-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM CCc1ccc([O-])c(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000525759349 517151510 /nfs/dbraw/zinc/15/15/10/517151510.db2.gz CAFWQGPYLJREDT-ZDUSSCGKSA-N -1 3 356.382 2.584 20 5 FFBDHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000525759348 517151782 /nfs/dbraw/zinc/15/17/82/517151782.db2.gz CAFWQGPYLJREDT-CYBMUJFWSA-N -1 3 356.382 2.584 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000556378206 517400267 /nfs/dbraw/zinc/40/02/67/517400267.db2.gz JGMJCXIIZPTWMS-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM COC(=O)c1coc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000556467114 517446530 /nfs/dbraw/zinc/44/65/30/517446530.db2.gz GYPFPZSYINQWSQ-UHFFFAOYSA-N -1 3 369.127 2.989 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1 ZINC000520728899 517491423 /nfs/dbraw/zinc/49/14/23/517491423.db2.gz ZXKKMBXLNOSOJT-UHFFFAOYSA-N -1 3 350.396 2.817 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CC(OCc2ccccc2)C1 ZINC000546624457 517762615 /nfs/dbraw/zinc/76/26/15/517762615.db2.gz RFHJVJMGJMGRPR-UHFFFAOYSA-N -1 3 362.407 2.621 20 5 FFBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ncccc1[O-] ZINC000557031905 517815193 /nfs/dbraw/zinc/81/51/93/517815193.db2.gz PBYYHEBRZGWRCW-UHFFFAOYSA-N -1 3 366.171 2.696 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc2nccnc21 ZINC000543617092 518153441 /nfs/dbraw/zinc/15/34/41/518153441.db2.gz NTWGUKMAXRJOMW-UHFFFAOYSA-N -1 3 360.333 2.602 20 5 FFBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000564095504 518304090 /nfs/dbraw/zinc/30/40/90/518304090.db2.gz QVJCDRGJVYQTBP-LBPRGKRZSA-N -1 3 352.334 2.831 20 5 FFBDHM CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569974241 518383076 /nfs/dbraw/zinc/38/30/76/518383076.db2.gz DUUFCCLBDBLCOE-NEPJUHHUSA-N -1 3 353.806 2.653 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c1C ZINC000584541739 518391357 /nfs/dbraw/zinc/39/13/57/518391357.db2.gz XJGLPOMYUWLQQF-OAHLLOKOSA-N -1 3 368.455 2.839 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000567210661 518405988 /nfs/dbraw/zinc/40/59/88/518405988.db2.gz LPYRRGRAWKBXCQ-JTQLQIEISA-N -1 3 368.349 3.000 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000567210661 518405993 /nfs/dbraw/zinc/40/59/93/518405993.db2.gz LPYRRGRAWKBXCQ-JTQLQIEISA-N -1 3 368.349 3.000 20 5 FFBDHM CCc1ccc([C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1 ZINC000571169023 518960480 /nfs/dbraw/zinc/96/04/80/518960480.db2.gz HNKIVDRZBDAPNI-MRXNPFEDSA-N -1 3 358.398 2.965 20 5 FFBDHM CN(C)CCN(Cc1ccco1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577222540 518974423 /nfs/dbraw/zinc/97/44/23/518974423.db2.gz MZFULHXENCBNSM-UHFFFAOYSA-N -1 3 367.789 2.751 20 5 FFBDHM CCc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000574339444 519108393 /nfs/dbraw/zinc/10/83/93/519108393.db2.gz QYDLCHNWJRNBFN-SECBINFHSA-N -1 3 352.778 2.670 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1c([O-])cccc1Cl ZINC000590566793 519268675 /nfs/dbraw/zinc/26/86/75/519268675.db2.gz OKFUGNMSNIIVFZ-VIFPVBQESA-N -1 3 363.757 2.711 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000575197190 519550602 /nfs/dbraw/zinc/55/06/02/519550602.db2.gz PIEMWDKHFXTIIV-GFCCVEGCSA-N -1 3 359.386 2.591 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)cc1C ZINC000594475245 519986002 /nfs/dbraw/zinc/98/60/02/519986002.db2.gz UBNUMHNPXZLRFU-WBVHZDCISA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)cc1C ZINC000594483930 519992288 /nfs/dbraw/zinc/99/22/88/519992288.db2.gz LFRNTHYRIAXOME-GJZGRUSLSA-N -1 3 367.471 2.507 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594485643 519995287 /nfs/dbraw/zinc/99/52/87/519995287.db2.gz BDDARYWMUXCWNK-KGLIPLIRSA-N -1 3 356.444 2.838 20 5 FFBDHM Cn1c([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])nnc1C1CC1 ZINC000600093223 520040439 /nfs/dbraw/zinc/04/04/39/520040439.db2.gz OBTMXJHFRIHYDF-UHFFFAOYSA-N -1 3 366.175 2.616 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nc(C)c2ccccc2n1 ZINC000608835291 520140971 /nfs/dbraw/zinc/14/09/71/520140971.db2.gz ONUXAZRMVOITDD-UHFFFAOYSA-N -1 3 372.406 2.633 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000594781749 520154758 /nfs/dbraw/zinc/15/47/58/520154758.db2.gz UBCAUOPPPJVZLZ-SNVBAGLBSA-N -1 3 371.365 2.857 20 5 FFBDHM CCc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000592052606 520155512 /nfs/dbraw/zinc/15/55/12/520155512.db2.gz RCTZULDJJDGXKC-LBPRGKRZSA-N -1 3 352.334 2.776 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])CC(F)F ZINC000594794172 520161781 /nfs/dbraw/zinc/16/17/81/520161781.db2.gz KVWYMBHTKKBPOA-VIFPVBQESA-N -1 3 359.354 2.713 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(C)C)C1(CO)CC=CC1 ZINC000592099038 520182327 /nfs/dbraw/zinc/18/23/27/520182327.db2.gz QMAWHFBFMAKFRQ-MRXNPFEDSA-N -1 3 368.455 2.535 20 5 FFBDHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592112821 520191802 /nfs/dbraw/zinc/19/18/02/520191802.db2.gz MDHGWEAUJPHOHT-XCBNKYQSSA-N -1 3 370.374 2.786 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC000609197007 520228055 /nfs/dbraw/zinc/22/80/55/520228055.db2.gz DSZVZFIQCVJLRN-AWEZNQCLSA-N -1 3 365.411 2.818 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c(F)c1 ZINC000609545723 520353971 /nfs/dbraw/zinc/35/39/71/520353971.db2.gz YJIYIDTXILPMPF-LBPRGKRZSA-N -1 3 350.371 2.742 20 5 FFBDHM CCSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000595348640 520421240 /nfs/dbraw/zinc/42/12/40/520421240.db2.gz KKWPMRUPMIQHHL-UHFFFAOYSA-N -1 3 350.849 2.812 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000595359248 520429064 /nfs/dbraw/zinc/42/90/64/520429064.db2.gz JOMIHIZEFZWTTQ-UNXYVOJBSA-N -1 3 360.407 2.799 20 5 FFBDHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000604027479 520430217 /nfs/dbraw/zinc/43/02/17/520430217.db2.gz GPPIAECNRSBWGU-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000604042176 520435150 /nfs/dbraw/zinc/43/51/50/520435150.db2.gz MKZDAKQRFOUEJE-JTQLQIEISA-N -1 3 354.359 2.782 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000595414463 520455249 /nfs/dbraw/zinc/45/52/49/520455249.db2.gz KCXCEQLZEWEKGZ-GFCCVEGCSA-N -1 3 362.407 2.959 20 5 FFBDHM CCCn1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000617431877 520493443 /nfs/dbraw/zinc/49/34/43/520493443.db2.gz PCTIKZIVFPRUEG-UHFFFAOYSA-N -1 3 351.428 2.902 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH][n-]1 ZINC000604498870 520581469 /nfs/dbraw/zinc/58/14/69/520581469.db2.gz GIPOHGHXCAISGA-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)c1ccccc1 ZINC000610265369 520611112 /nfs/dbraw/zinc/61/11/12/520611112.db2.gz FWJBUPIEPXTBGJ-IRXDYDNUSA-N -1 3 362.407 2.612 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)c([N+](=O)[O-])s1 ZINC000601433195 520783725 /nfs/dbraw/zinc/78/37/25/520783725.db2.gz CDCVZVZFDNIMJF-UHFFFAOYSA-N -1 3 370.399 2.793 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1C ZINC000610800337 520849137 /nfs/dbraw/zinc/84/91/37/520849137.db2.gz PFGUEWJQGPTVQZ-WQVCFCJDSA-N -1 3 368.455 2.694 20 5 FFBDHM Cn1[n-]c([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)nc1=N ZINC000596252836 520994046 /nfs/dbraw/zinc/99/40/46/520994046.db2.gz TWEDEKFYJRDDTH-CQSZACIVSA-N -1 3 365.397 2.539 20 5 FFBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ncc([N+](=O)[O-])cc1Cl ZINC000599089576 521026858 /nfs/dbraw/zinc/02/68/58/521026858.db2.gz DRQGALWUHGVYGW-UHFFFAOYSA-N -1 3 352.778 2.571 20 5 FFBDHM CCOC(=O)c1nnc(-c2cccc(CNc3cccnc3[N+](=O)[O-])c2)[n-]1 ZINC000618980856 521331825 /nfs/dbraw/zinc/33/18/25/521331825.db2.gz FZKAGMQAODCUJD-UHFFFAOYSA-N -1 3 368.353 2.564 20 5 FFBDHM CCOC(=O)c1nc(-c2cccc(CNc3cccnc3[N+](=O)[O-])c2)n[n-]1 ZINC000618980856 521331831 /nfs/dbraw/zinc/33/18/31/521331831.db2.gz FZKAGMQAODCUJD-UHFFFAOYSA-N -1 3 368.353 2.564 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000619476747 521588797 /nfs/dbraw/zinc/58/87/97/521588797.db2.gz JPFFGRWTYAYSSR-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000619479204 521590225 /nfs/dbraw/zinc/59/02/25/521590225.db2.gz DNJFYQZMWVRTMO-QWHCGFSZSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000822351598 599037006 /nfs/dbraw/zinc/03/70/06/599037006.db2.gz PCNCJPXIOACWDO-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccccc1[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000822351598 599037008 /nfs/dbraw/zinc/03/70/08/599037008.db2.gz PCNCJPXIOACWDO-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2OCCc3sccc32)c(-c2nnn[n-]2)c1 ZINC000823640052 599076764 /nfs/dbraw/zinc/07/67/64/599076764.db2.gz QKAIHHYTKZESLE-ZDUSSCGKSA-N -1 3 358.383 2.562 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2OCCc3sccc32)c(-c2nn[n-]n2)c1 ZINC000823640052 599076767 /nfs/dbraw/zinc/07/67/67/599076767.db2.gz QKAIHHYTKZESLE-ZDUSSCGKSA-N -1 3 358.383 2.562 20 5 FFBDHM COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737054752 599121760 /nfs/dbraw/zinc/12/17/60/599121760.db2.gz VHFRIZOOGMWUED-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737054752 599121762 /nfs/dbraw/zinc/12/17/62/599121762.db2.gz VHFRIZOOGMWUED-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM CCN(C)c1ccccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736511694 598389827 /nfs/dbraw/zinc/38/98/27/598389827.db2.gz JEWJNCZWCMLTQW-UHFFFAOYSA-N -1 3 353.386 2.843 20 5 FFBDHM CCN(C)c1ccccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736511694 598389829 /nfs/dbraw/zinc/38/98/29/598389829.db2.gz JEWJNCZWCMLTQW-UHFFFAOYSA-N -1 3 353.386 2.843 20 5 FFBDHM Cc1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000737333444 598537982 /nfs/dbraw/zinc/53/79/82/598537982.db2.gz BJYMKKGOYGACKN-GFCCVEGCSA-N -1 3 353.386 2.830 20 5 FFBDHM Cc1ccc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000737333444 598537983 /nfs/dbraw/zinc/53/79/83/598537983.db2.gz BJYMKKGOYGACKN-GFCCVEGCSA-N -1 3 353.386 2.830 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738370550 598630972 /nfs/dbraw/zinc/63/09/72/598630972.db2.gz VRXNDYSCQOVGMF-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738370550 598630974 /nfs/dbraw/zinc/63/09/74/598630974.db2.gz VRXNDYSCQOVGMF-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM COc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737073792 598814733 /nfs/dbraw/zinc/81/47/33/598814733.db2.gz SXBUXGJMBPQDNQ-NSHDSACASA-N -1 3 354.370 2.981 20 5 FFBDHM COc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737073792 598814736 /nfs/dbraw/zinc/81/47/36/598814736.db2.gz SXBUXGJMBPQDNQ-NSHDSACASA-N -1 3 354.370 2.981 20 5 FFBDHM COc1ccccc1CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CC1 ZINC000737150063 598815601 /nfs/dbraw/zinc/81/56/01/598815601.db2.gz LNCGOEBCFOQYKK-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM COc1ccccc1CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CC1 ZINC000737150063 598815602 /nfs/dbraw/zinc/81/56/02/598815602.db2.gz LNCGOEBCFOQYKK-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM Cc1ccccc1OCCN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822366357 599340214 /nfs/dbraw/zinc/34/02/14/599340214.db2.gz IQSBMBGPBWYNEN-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1ccccc1OCCN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822366357 599340216 /nfs/dbraw/zinc/34/02/16/599340216.db2.gz IQSBMBGPBWYNEN-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820461347 599352560 /nfs/dbraw/zinc/35/25/60/599352560.db2.gz IFAOLXJYFBXRNR-SECBINFHSA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820461347 599352563 /nfs/dbraw/zinc/35/25/63/599352563.db2.gz IFAOLXJYFBXRNR-SECBINFHSA-N -1 3 355.314 2.856 20 5 FFBDHM Cc1nc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2s1 ZINC000822463034 599435140 /nfs/dbraw/zinc/43/51/40/599435140.db2.gz NHNYZQGRKXGBKT-UHFFFAOYSA-N -1 3 354.355 2.832 20 5 FFBDHM Cc1nc2ccc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2s1 ZINC000822463034 599435143 /nfs/dbraw/zinc/43/51/43/599435143.db2.gz NHNYZQGRKXGBKT-UHFFFAOYSA-N -1 3 354.355 2.832 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000823639959 599457647 /nfs/dbraw/zinc/45/76/47/599457647.db2.gz NMSXIMBSQCFOOZ-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccsc3)cc(-c3nnn[n-]3)c2c1 ZINC000823645482 599475542 /nfs/dbraw/zinc/47/55/42/599475542.db2.gz QZZUUVQBGBTGIU-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccsc3)cc(-c3nn[n-]n3)c2c1 ZINC000823645482 599475543 /nfs/dbraw/zinc/47/55/43/599475543.db2.gz QZZUUVQBGBTGIU-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccn1 ZINC000736140676 599499474 /nfs/dbraw/zinc/49/94/74/599499474.db2.gz ZDSGDWICAXITKW-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccn1 ZINC000736140676 599499475 /nfs/dbraw/zinc/49/94/75/599499475.db2.gz ZDSGDWICAXITKW-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM CCCCOCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821071545 599500490 /nfs/dbraw/zinc/50/04/90/599500490.db2.gz HYSPUSPIMALFKV-UHFFFAOYSA-N -1 3 357.374 2.552 20 5 FFBDHM CCCCOCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821071545 599500492 /nfs/dbraw/zinc/50/04/92/599500492.db2.gz HYSPUSPIMALFKV-UHFFFAOYSA-N -1 3 357.374 2.552 20 5 FFBDHM O=c1ccn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000823665823 599697762 /nfs/dbraw/zinc/69/77/62/599697762.db2.gz YMSVREDXYJVDAE-UHFFFAOYSA-N -1 3 374.360 2.652 20 5 FFBDHM O=c1ccn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000823665823 599697763 /nfs/dbraw/zinc/69/77/63/599697763.db2.gz YMSVREDXYJVDAE-UHFFFAOYSA-N -1 3 374.360 2.652 20 5 FFBDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000826044284 601656031 /nfs/dbraw/zinc/65/60/31/601656031.db2.gz DMMFUSUXMPTDIS-ACJLOTCBSA-N -1 3 371.393 2.609 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832958711 601657169 /nfs/dbraw/zinc/65/71/69/601657169.db2.gz NWSZOPPJWLDUON-SCLBCKFNSA-N -1 3 371.393 2.893 20 5 FFBDHM C[C@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)[O-] ZINC000738907343 602875759 /nfs/dbraw/zinc/87/57/59/602875759.db2.gz RXGZRFPHCFGSJU-SNVBAGLBSA-N -1 3 350.400 2.854 20 5 FFBDHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000833770654 604762186 /nfs/dbraw/zinc/76/21/86/604762186.db2.gz KYQYTQOWXWIDPQ-KRWDZBQOSA-N -1 3 360.366 2.512 20 5 FFBDHM Cc1nn(CN(C2CC2)C2CCN(C(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc12 ZINC000833920616 605630158 /nfs/dbraw/zinc/63/01/58/605630158.db2.gz AVANAVRNLAKECM-UHFFFAOYSA-N -1 3 373.413 2.817 20 5 FFBDHM O=C([O-])NC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000834207724 605974624 /nfs/dbraw/zinc/97/46/24/605974624.db2.gz QRIYZQPEKCMNNC-QGZVFWFLSA-N -1 3 369.381 2.543 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229682 606438926 /nfs/dbraw/zinc/43/89/26/606438926.db2.gz ZGEVGDLBDSOBQB-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229682 606438928 /nfs/dbraw/zinc/43/89/28/606438928.db2.gz ZGEVGDLBDSOBQB-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM CCOc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000821401049 606468656 /nfs/dbraw/zinc/46/86/56/606468656.db2.gz STORTTOVIDVCJF-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CCOc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000821401049 606468658 /nfs/dbraw/zinc/46/86/58/606468658.db2.gz STORTTOVIDVCJF-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820329692 606666732 /nfs/dbraw/zinc/66/67/32/606666732.db2.gz YORXMHIEVKGGCG-GFCCVEGCSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820329692 606666733 /nfs/dbraw/zinc/66/67/33/606666733.db2.gz YORXMHIEVKGGCG-GFCCVEGCSA-N -1 3 366.381 2.585 20 5 FFBDHM CC(C)[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820047360 606725904 /nfs/dbraw/zinc/72/59/04/606725904.db2.gz XXRVIPFOLURMIO-NSHDSACASA-N -1 3 353.386 2.805 20 5 FFBDHM CC(C)[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820047360 606725906 /nfs/dbraw/zinc/72/59/06/606725906.db2.gz XXRVIPFOLURMIO-NSHDSACASA-N -1 3 353.386 2.805 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2COc3ccc(Cl)cc32)c(-c2nnn[n-]2)c1 ZINC000823640139 606790829 /nfs/dbraw/zinc/79/08/29/606790829.db2.gz UZLXVQULHNBTAB-ZDUSSCGKSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2COc3ccc(Cl)cc32)c(-c2nn[n-]n2)c1 ZINC000823640139 606790830 /nfs/dbraw/zinc/79/08/30/606790830.db2.gz UZLXVQULHNBTAB-ZDUSSCGKSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1cc(F)ccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823634714 606838942 /nfs/dbraw/zinc/83/89/42/606838942.db2.gz KMJADUKPTPDSJJ-UHFFFAOYSA-N -1 3 359.317 2.762 20 5 FFBDHM O=[N+]([O-])c1cc(F)ccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823634714 606838943 /nfs/dbraw/zinc/83/89/43/606838943.db2.gz KMJADUKPTPDSJJ-UHFFFAOYSA-N -1 3 359.317 2.762 20 5 FFBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000821573663 606973966 /nfs/dbraw/zinc/97/39/66/606973966.db2.gz ZCUMMAVSIPZCDQ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000821573663 606973967 /nfs/dbraw/zinc/97/39/67/606973967.db2.gz ZCUMMAVSIPZCDQ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM C[C@@]1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000820635823 607115908 /nfs/dbraw/zinc/11/59/08/607115908.db2.gz OCKZKAUQXQYFEN-SFHVURJKSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@@]1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000820635823 607115910 /nfs/dbraw/zinc/11/59/10/607115910.db2.gz OCKZKAUQXQYFEN-SFHVURJKSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820774383 607116585 /nfs/dbraw/zinc/11/65/85/607116585.db2.gz BPBMZTSVKPMQDG-MEBBXXQBSA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820774383 607116587 /nfs/dbraw/zinc/11/65/87/607116587.db2.gz BPBMZTSVKPMQDG-MEBBXXQBSA-N -1 3 372.410 2.803 20 5 FFBDHM Cc1c(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822116807 607252149 /nfs/dbraw/zinc/25/21/49/607252149.db2.gz YCWNVQPHVRRRQQ-UHFFFAOYSA-N -1 3 355.383 2.892 20 5 FFBDHM Cc1c(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822116807 607252150 /nfs/dbraw/zinc/25/21/50/607252150.db2.gz YCWNVQPHVRRRQQ-UHFFFAOYSA-N -1 3 355.383 2.892 20 5 FFBDHM O=[N+]([O-])c1ccc(CSC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826497965 607816626 /nfs/dbraw/zinc/81/66/26/607816626.db2.gz AXHHMOJJRZXAMJ-HNNXBMFYSA-N -1 3 357.395 2.742 20 5 FFBDHM O=[N+]([O-])c1ccc(CSC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826497965 607816627 /nfs/dbraw/zinc/81/66/27/607816627.db2.gz AXHHMOJJRZXAMJ-HNNXBMFYSA-N -1 3 357.395 2.742 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(-c2nnn[n-]2)c1 ZINC000826499213 607849927 /nfs/dbraw/zinc/84/99/27/607849927.db2.gz ZWYONJFBQIIFAY-DFBGVHRSSA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(-c2nn[n-]n2)c1 ZINC000826499213 607849928 /nfs/dbraw/zinc/84/99/28/607849928.db2.gz ZWYONJFBQIIFAY-DFBGVHRSSA-N -1 3 356.386 2.535 20 5 FFBDHM Cc1cc(C)c(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826263514 607872650 /nfs/dbraw/zinc/87/26/50/607872650.db2.gz FQCBVJFJWAIUTR-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc(C)c(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826263514 607872651 /nfs/dbraw/zinc/87/26/51/607872651.db2.gz FQCBVJFJWAIUTR-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000826466141 607929106 /nfs/dbraw/zinc/92/91/06/607929106.db2.gz PZMTYTQLOBYPAX-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000826466141 607929107 /nfs/dbraw/zinc/92/91/07/607929107.db2.gz PZMTYTQLOBYPAX-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)oc1C ZINC000826260577 608163284 /nfs/dbraw/zinc/16/32/84/608163284.db2.gz VHRQRFRGVPQGTQ-UHFFFAOYSA-N -1 3 362.733 2.890 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)oc1C ZINC000826260577 608163285 /nfs/dbraw/zinc/16/32/85/608163285.db2.gz VHRQRFRGVPQGTQ-UHFFFAOYSA-N -1 3 362.733 2.890 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826500144 608291554 /nfs/dbraw/zinc/29/15/54/608291554.db2.gz MPIKJLNXWJEGNM-UHFFFAOYSA-N -1 3 365.397 2.703 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826500144 608291556 /nfs/dbraw/zinc/29/15/56/608291556.db2.gz MPIKJLNXWJEGNM-UHFFFAOYSA-N -1 3 365.397 2.703 20 5 FFBDHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826443050 608810375 /nfs/dbraw/zinc/81/03/75/608810375.db2.gz YDHMQEHOZXTRFU-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826443050 608810378 /nfs/dbraw/zinc/81/03/78/608810378.db2.gz YDHMQEHOZXTRFU-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nnn[n-]1 ZINC000825811755 609328866 /nfs/dbraw/zinc/32/88/66/609328866.db2.gz BCNALPYKLCOWNT-UHFFFAOYSA-N -1 3 374.307 2.530 20 5 FFBDHM CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nn[n-]n1 ZINC000825811755 609328868 /nfs/dbraw/zinc/32/88/68/609328868.db2.gz BCNALPYKLCOWNT-UHFFFAOYSA-N -1 3 374.307 2.530 20 5 FFBDHM COc1ccc(CN[C@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826202139 609331104 /nfs/dbraw/zinc/33/11/04/609331104.db2.gz PJCFTLFAFUODSY-SNVBAGLBSA-N -1 3 372.360 2.773 20 5 FFBDHM COc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826209795 609444560 /nfs/dbraw/zinc/44/45/60/609444560.db2.gz QSLMAQXDMPQUQU-UHFFFAOYSA-N -1 3 371.382 2.592 20 5 FFBDHM COc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826209795 609444563 /nfs/dbraw/zinc/44/45/63/609444563.db2.gz QSLMAQXDMPQUQU-UHFFFAOYSA-N -1 3 371.382 2.592 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826293329 609466778 /nfs/dbraw/zinc/46/67/78/609466778.db2.gz LEZXLWXAGJXDDR-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826293329 609466779 /nfs/dbraw/zinc/46/67/79/609466779.db2.gz LEZXLWXAGJXDDR-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)c(Cl)c1 ZINC000123169093 728656026 /nfs/dbraw/zinc/65/60/26/728656026.db2.gz JLRNCVUFFXKCSU-AWEZNQCLSA-N -1 3 370.814 2.650 20 5 FFBDHM CCS(=O)(=O)c1ccccc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000124938783 728676363 /nfs/dbraw/zinc/67/63/63/728676363.db2.gz YKDOILWIHPSEKJ-UHFFFAOYSA-N -1 3 370.333 2.919 20 5 FFBDHM Cc1c(C)c(C)c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c(C)c1C ZINC000125505983 728684428 /nfs/dbraw/zinc/68/44/28/728684428.db2.gz XWZLQBFGKBIZDN-UHFFFAOYSA-N -1 3 364.427 2.837 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CC=CCC2)c1 ZINC000173176570 729041421 /nfs/dbraw/zinc/04/14/21/729041421.db2.gz XHFRFBUJEWYSEZ-VIFPVBQESA-N -1 3 361.217 2.744 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000175892378 729103648 /nfs/dbraw/zinc/10/36/48/729103648.db2.gz AWNHXYUQWURKPC-UHFFFAOYSA-N -1 3 365.367 2.717 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000742281826 735218867 /nfs/dbraw/zinc/21/88/67/735218867.db2.gz RBQGRPGLVOYDQU-MRVPVSSYSA-N -1 3 363.233 2.682 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000903108182 736032321 /nfs/dbraw/zinc/03/23/21/736032321.db2.gz OGLCTLXXHOULCV-LLVKDONJSA-N -1 3 369.226 2.929 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(Cl)n1 ZINC000760325387 736629767 /nfs/dbraw/zinc/62/97/67/736629767.db2.gz KOZMEIIZYXVTGX-UHFFFAOYSA-N -1 3 357.775 2.761 20 5 FFBDHM CN(C)C(=O)Sc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000770483398 737631389 /nfs/dbraw/zinc/63/13/89/737631389.db2.gz AKOJPFKQKRNCIU-UHFFFAOYSA-N -1 3 362.367 2.721 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000921845822 738054255 /nfs/dbraw/zinc/05/42/55/738054255.db2.gz ANEBFFMICMKCSF-NHYWBVRUSA-N -1 3 374.846 2.732 20 5 FFBDHM Cc1c([N-]S(=O)(=O)c2cccc(N(C)C)c2)c(F)ccc1[N+](=O)[O-] ZINC000800052114 740479104 /nfs/dbraw/zinc/47/91/04/740479104.db2.gz HCTLUJOTAQSZSI-UHFFFAOYSA-N -1 3 353.375 2.909 20 5 FFBDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000800929905 740567721 /nfs/dbraw/zinc/56/77/21/740567721.db2.gz UPSUANUZIOQNCJ-UHFFFAOYSA-N -1 3 367.358 2.517 20 5 FFBDHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800930525 740567736 /nfs/dbraw/zinc/56/77/36/740567736.db2.gz NKJWDGXVZIWGAF-UHFFFAOYSA-N -1 3 368.754 2.719 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813172563 741684619 /nfs/dbraw/zinc/68/46/19/741684619.db2.gz OBEMMSXRKRYXQF-UHFFFAOYSA-N -1 3 360.113 2.796 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1ccc(Br)nc1 ZINC000823630555 742951489 /nfs/dbraw/zinc/95/14/89/742951489.db2.gz ZZQXVZRIEDBIOL-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1ccc(Br)nc1 ZINC000823630555 742951494 /nfs/dbraw/zinc/95/14/94/742951494.db2.gz ZZQXVZRIEDBIOL-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000836782853 746304791 /nfs/dbraw/zinc/30/47/91/746304791.db2.gz KJCVQXWHZKEGPH-UHFFFAOYSA-N -1 3 363.683 2.624 20 5 FFBDHM CC(C)(F)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000849457081 749162340 /nfs/dbraw/zinc/16/23/40/749162340.db2.gz KHSPGNLADPWTPE-UHFFFAOYSA-N -1 3 369.212 2.774 20 5 FFBDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736191106 944757738 /nfs/dbraw/zinc/75/77/38/944757738.db2.gz HZCBLBQCCFXCLJ-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736191106 944757746 /nfs/dbraw/zinc/75/77/46/944757746.db2.gz HZCBLBQCCFXCLJ-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H]1[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311528747 963487226 /nfs/dbraw/zinc/48/72/26/963487226.db2.gz AKMGQLAZOWSZNK-DOMZBBRYSA-N -1 3 356.382 2.763 20 5 FFBDHM C[C@@H](CNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-])N(C)C ZINC001592729006 979239939 /nfs/dbraw/zinc/23/99/39/979239939.db2.gz IYPLYMMNLYYOFV-LBPRGKRZSA-N -1 3 371.393 2.886 20 5 FFBDHM CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001596670674 984735230 /nfs/dbraw/zinc/73/52/30/984735230.db2.gz BRWZBVOXAWBLEY-KGLIPLIRSA-N -1 3 350.371 2.505 20 5 FFBDHM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001593737539 996336424 /nfs/dbraw/zinc/33/64/24/996336424.db2.gz IHRJIMVJTQGPAT-NQBHXWOUSA-N -1 3 360.370 2.748 20 5 FFBDHM C[C@]1(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC001594026522 997558164 /nfs/dbraw/zinc/55/81/64/997558164.db2.gz NMUSSCCORBPSQG-CYBMUJFWSA-N -1 3 363.197 2.732 20 5 FFBDHM CC(=O)Nc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000742838808 999789996 /nfs/dbraw/zinc/78/99/96/999789996.db2.gz HAULAYZFZAOUIA-UHFFFAOYSA-N -1 3 358.285 2.788 20 5 FFBDHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000792614706 1003088576 /nfs/dbraw/zinc/08/85/76/1003088576.db2.gz YEGUBEAMHJWCLM-UHFFFAOYSA-N -1 3 356.382 2.616 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCC3(CCC3)O2)c([N+](=O)[O-])s1 ZINC001195225097 1004919985 /nfs/dbraw/zinc/91/99/85/1004919985.db2.gz PVQWURWOHCPTEV-LLVKDONJSA-N -1 3 360.457 2.735 20 5 FFBDHM CCOc1nc(Br)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815283 1005034617 /nfs/dbraw/zinc/03/46/17/1005034617.db2.gz YJALBSGJTKSBGW-UHFFFAOYSA-N -1 3 355.148 2.995 20 5 FFBDHM O=C(O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000776559096 1005933362 /nfs/dbraw/zinc/93/33/62/1005933362.db2.gz JFGVXKFOVHAHLV-INIZCTEOSA-N -1 3 355.394 2.843 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000853479764 1006405191 /nfs/dbraw/zinc/40/51/91/1006405191.db2.gz SDZKIFFKRHIRFZ-KRWDZBQOSA-N -1 3 364.402 2.533 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@@]12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000853692914 1006508645 /nfs/dbraw/zinc/50/86/45/1006508645.db2.gz LUBBWZGHHNYCHD-KRWDZBQOSA-N -1 3 364.402 2.675 20 5 FFBDHM COc1cc(F)c(F)cc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212843859 1009542686 /nfs/dbraw/zinc/54/26/86/1009542686.db2.gz FMNRWAILGPBVLK-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3ccc(-n4cccn4)cc3)no2)cc1[N+](=O)[O-] ZINC001212844540 1009561112 /nfs/dbraw/zinc/56/11/12/1009561112.db2.gz 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Cc1cc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC001220411177 1034156643 /nfs/dbraw/zinc/15/66/43/1034156643.db2.gz JLYNIGIDHZQCQM-UHFFFAOYSA-N -1 3 353.342 2.651 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1COCc2cc(Br)cnc21 ZINC001225666062 1034359798 /nfs/dbraw/zinc/35/97/98/1034359798.db2.gz FWODFLQCSTXFLU-JTQLQIEISA-N -1 3 368.143 2.503 20 5 FFBDHM CCOC(=O)[C@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001227089836 1034931725 /nfs/dbraw/zinc/93/17/25/1034931725.db2.gz AITZNRMVZSPNFR-OAHLLOKOSA-N -1 3 369.333 2.927 20 5 FFBDHM Cc1cc(N2CC[C@@H](Oc3nc4ccc([N+](=O)[O-])cc4[n-]3)C2)nc(Cl)n1 ZINC001227744013 1035710013 /nfs/dbraw/zinc/71/00/13/1035710013.db2.gz CRTMNUMMFKZUDQ-LLVKDONJSA-N -1 3 374.788 2.881 20 5 FFBDHM Cc1cc(N2CC[C@@H](Oc3nc4cc([N+](=O)[O-])ccc4[n-]3)C2)nc(Cl)n1 ZINC001227744013 1035710031 /nfs/dbraw/zinc/71/00/31/1035710031.db2.gz CRTMNUMMFKZUDQ-LLVKDONJSA-N -1 3 374.788 2.881 20 5 FFBDHM C[C@@H](Oc1[n-]c(=O)nc2cccnc21)c1cc2c(cc1[N+](=O)[O-])OCO2 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/nfs/dbraw/zinc/74/20/74/1070742074.db2.gz MZIHLOAVGWMWKK-UHFFFAOYSA-N -1 3 357.326 2.634 20 5 FFBDHM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001291935782 1049003216 /nfs/dbraw/zinc/00/32/16/1049003216.db2.gz LFSDXBGXBMFKPC-UHFFFAOYSA-N -1 3 364.745 2.950 20 5 FFBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001293539658 1049578168 /nfs/dbraw/zinc/57/81/68/1049578168.db2.gz FVDALPPHBCWARO-UHFFFAOYSA-N -1 3 359.288 2.645 20 5 FFBDHM O=C(Nc1ccc(C(=O)C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302480736 1051119662 /nfs/dbraw/zinc/11/96/62/1051119662.db2.gz DIKIMWPBEUHNAM-UHFFFAOYSA-N -1 3 355.228 2.693 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)n1 ZINC001307207955 1052267636 /nfs/dbraw/zinc/26/76/36/1052267636.db2.gz BOCGLCLPHGAZCR-GFCCVEGCSA-N -1 3 366.381 2.638 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C/C=C/C1CC1 ZINC001348538148 1054773776 /nfs/dbraw/zinc/77/37/76/1054773776.db2.gz VCNNOUMVPTXSIL-OWOJBTEDSA-N -1 3 350.318 2.858 20 5 FFBDHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC001450225659 1058995823 /nfs/dbraw/zinc/99/58/23/1058995823.db2.gz AXHZAVSGSWABFL-UHFFFAOYSA-N -1 3 354.160 2.962 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccnc(-c2ccccn2)n1 ZINC001354578031 1059190367 /nfs/dbraw/zinc/19/03/67/1059190367.db2.gz SVWWFZAAARVWNU-UHFFFAOYSA-N -1 3 357.276 2.977 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[n-]1 ZINC001454469924 1059543914 /nfs/dbraw/zinc/54/39/14/1059543914.db2.gz YZQSHJITHKITSW-UHFFFAOYSA-N -1 3 366.761 2.719 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])c[n-]1 ZINC001454469924 1059543930 /nfs/dbraw/zinc/54/39/30/1059543930.db2.gz YZQSHJITHKITSW-UHFFFAOYSA-N -1 3 366.761 2.719 20 5 FFBDHM CC1(C)CNC(=O)c2c(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)coc2C1 ZINC001355469472 1060264577 /nfs/dbraw/zinc/26/45/77/1060264577.db2.gz FEIUWULETQPWBG-UHFFFAOYSA-N -1 3 361.329 2.891 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCC2)O1 ZINC001464358692 1062567150 /nfs/dbraw/zinc/56/71/50/1062567150.db2.gz ZUQPJXMNGXIBFS-NSHDSACASA-N -1 3 360.819 2.628 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001464618282 1062717222 /nfs/dbraw/zinc/71/72/22/1062717222.db2.gz HOTPTYZTXVOVPD-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001464618282 1062717238 /nfs/dbraw/zinc/71/72/38/1062717238.db2.gz HOTPTYZTXVOVPD-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM COc1cc2nc(C)sc2cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001546251292 1063600797 /nfs/dbraw/zinc/60/07/97/1063600797.db2.gz LUOREZFOYYQAME-UHFFFAOYSA-N -1 3 360.351 2.874 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1Cl ZINC001468756605 1064033458 /nfs/dbraw/zinc/03/34/58/1064033458.db2.gz KCKNKCMTFZNUBS-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1Cl ZINC001468756605 1064033463 /nfs/dbraw/zinc/03/34/63/1064033463.db2.gz KCKNKCMTFZNUBS-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001470777712 1064449467 /nfs/dbraw/zinc/44/94/67/1064449467.db2.gz MANFZIOZHUQHMR-AUUYWEPGSA-N -1 3 369.421 2.941 20 5 FFBDHM CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC001578856194 1078535564 /nfs/dbraw/zinc/53/55/64/1078535564.db2.gz YZQAGKQYIZXCJO-GJZGRUSLSA-N -1 3 364.365 2.541 20 5 FFBDHM CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC001578856194 1078535569 /nfs/dbraw/zinc/53/55/69/1078535569.db2.gz YZQAGKQYIZXCJO-GJZGRUSLSA-N -1 3 364.365 2.541 20 5 FFBDHM Cc1ccncc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001581290523 1078950470 /nfs/dbraw/zinc/95/04/70/1078950470.db2.gz FLAOCLXKZVLMKE-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1ccncc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001581290523 1078950476 /nfs/dbraw/zinc/95/04/76/1078950476.db2.gz FLAOCLXKZVLMKE-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM O=C(Nc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001582639426 1079083749 /nfs/dbraw/zinc/08/37/49/1079083749.db2.gz RISDAEOOLIMUFG-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001582639426 1079083754 /nfs/dbraw/zinc/08/37/54/1079083754.db2.gz RISDAEOOLIMUFG-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCc1ccc2ncccc2c1 ZINC001582804209 1079109443 /nfs/dbraw/zinc/10/94/43/1079109443.db2.gz NNDMPLKQBMMIBF-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCc1ccc2ncccc2c1 ZINC001582804209 1079109450 /nfs/dbraw/zinc/10/94/50/1079109450.db2.gz NNDMPLKQBMMIBF-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1nnc(C(F)(F)F)[n-]1 ZINC001584912291 1079404189 /nfs/dbraw/zinc/40/41/89/1079404189.db2.gz XQJXEZBQORXZON-UHFFFAOYSA-N -1 3 363.683 2.956 20 5 FFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1nc(C(F)(F)F)n[n-]1 ZINC001584912291 1079404190 /nfs/dbraw/zinc/40/41/90/1079404190.db2.gz XQJXEZBQORXZON-UHFFFAOYSA-N -1 3 363.683 2.956 20 5 FFBDHM Cc1cnn(Cc2ccccc2F)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001556290840 1075724927 /nfs/dbraw/zinc/72/49/27/1075724927.db2.gz OXSRFFZTANIOFA-UHFFFAOYSA-N -1 3 371.328 2.640 20 5 FFBDHM O=C(Nc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1)c1ccncc1 ZINC001559078398 1076123637 /nfs/dbraw/zinc/12/36/37/1076123637.db2.gz HLNCZFOSMSMRAY-UHFFFAOYSA-N -1 3 365.349 2.955 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC23CCCCC3)c(F)c1 ZINC001561986527 1076460652 /nfs/dbraw/zinc/46/06/52/1076460652.db2.gz ADNYSBOGOFTFNO-AWEZNQCLSA-N -1 3 358.391 2.504 20 5 FFBDHM C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589002708 1080300422 /nfs/dbraw/zinc/30/04/22/1080300422.db2.gz QNTHZFYIEVQVAA-LPDYGMJQSA-N -1 3 371.397 2.625 20 5 FFBDHM CC(C)(NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589317130 1080479986 /nfs/dbraw/zinc/47/99/86/1080479986.db2.gz IGNDSEQFOYTVMI-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM CC(C)(NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589317130 1080479987 /nfs/dbraw/zinc/47/99/87/1080479987.db2.gz IGNDSEQFOYTVMI-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001589504738 1080570623 /nfs/dbraw/zinc/57/06/23/1080570623.db2.gz YYRRFZDPZWVEDR-BDAKNGLRSA-N -1 3 350.766 2.659 20 5 FFBDHM CC(C)[C@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001589504738 1080570627 /nfs/dbraw/zinc/57/06/27/1080570627.db2.gz YYRRFZDPZWVEDR-BDAKNGLRSA-N -1 3 350.766 2.659 20 5 FFBDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001589894865 1080840682 /nfs/dbraw/zinc/84/06/82/1080840682.db2.gz NHUNFQXVFHAMGF-GFCCVEGCSA-N -1 3 367.365 2.697 20 5 FFBDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001589894865 1080840687 /nfs/dbraw/zinc/84/06/87/1080840687.db2.gz NHUNFQXVFHAMGF-GFCCVEGCSA-N -1 3 367.365 2.697 20 5 FFBDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001589894867 1080841473 /nfs/dbraw/zinc/84/14/73/1080841473.db2.gz NHUNFQXVFHAMGF-LBPRGKRZSA-N -1 3 367.365 2.697 20 5 FFBDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001589894867 1080841479 /nfs/dbraw/zinc/84/14/79/1080841479.db2.gz NHUNFQXVFHAMGF-LBPRGKRZSA-N -1 3 367.365 2.697 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589921533 1080862027 /nfs/dbraw/zinc/86/20/27/1080862027.db2.gz BEJNSECVQVPMCR-VMPCVLLUSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589921533 1080862033 /nfs/dbraw/zinc/86/20/33/1080862033.db2.gz BEJNSECVQVPMCR-VMPCVLLUSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001589937671 1080882144 /nfs/dbraw/zinc/88/21/44/1080882144.db2.gz VJGVLUSQFMIRBM-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001589937671 1080882147 /nfs/dbraw/zinc/88/21/47/1080882147.db2.gz VJGVLUSQFMIRBM-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H]1CC(C)(C)CN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590193530 1081085050 /nfs/dbraw/zinc/08/50/50/1081085050.db2.gz PASBUTHKUCIAKJ-JTQLQIEISA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@H]1CC(C)(C)CN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590193530 1081085052 /nfs/dbraw/zinc/08/50/52/1081085052.db2.gz PASBUTHKUCIAKJ-JTQLQIEISA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC001590261253 1081128786 /nfs/dbraw/zinc/12/87/86/1081128786.db2.gz LBAFCMDGGOLWIK-MNOVXSKESA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC001590261253 1081128790 /nfs/dbraw/zinc/12/87/90/1081128790.db2.gz LBAFCMDGGOLWIK-MNOVXSKESA-N -1 3 353.386 2.948 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268772127 251379888 /nfs/dbraw/zinc/37/98/88/251379888.db2.gz YNADBKZSHSSAFM-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C ZINC000272424163 252034979 /nfs/dbraw/zinc/03/49/79/252034979.db2.gz XUFFYHQBPUQXPO-RYUDHWBXSA-N -1 3 369.368 2.592 20 5 FFBDHM COc1cc(C(=O)N2CCCc3cccc([O-])c32)cc([N+](=O)[O-])c1OC ZINC000272507039 252055392 /nfs/dbraw/zinc/05/53/92/252055392.db2.gz OHNKSEQOVRXBOG-UHFFFAOYSA-N -1 3 358.350 2.911 20 5 FFBDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000275724584 256042636 /nfs/dbraw/zinc/04/26/36/256042636.db2.gz MROKLLWDFZOKGW-UHFFFAOYSA-N -1 3 367.402 2.639 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CCN(C)C ZINC000275715348 256041734 /nfs/dbraw/zinc/04/17/34/256041734.db2.gz LJBPQYXKEIDNIQ-UHFFFAOYSA-N -1 3 363.439 2.808 20 5 FFBDHM COc1cc(C[NH2+]C[C@H](Cc2ccc(C)cc2)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000277148135 256165808 /nfs/dbraw/zinc/16/58/08/256165808.db2.gz CKSTWMSAJFQSRM-HNNXBMFYSA-N -1 3 374.393 2.651 20 5 FFBDHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277844347 256246569 /nfs/dbraw/zinc/24/65/69/256246569.db2.gz JTCBIXIEKRQMDB-CQSZACIVSA-N -1 3 359.338 2.506 20 5 FFBDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330382623 258162861 /nfs/dbraw/zinc/16/28/61/258162861.db2.gz JBRYBKPHXSQQMK-GZMMTYOYSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000330842417 258171571 /nfs/dbraw/zinc/17/15/71/258171571.db2.gz MSYYSQPJMWBSRX-ZYHUDNBSSA-N -1 3 360.457 2.556 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000366728260 512160875 /nfs/dbraw/zinc/16/08/75/512160875.db2.gz HKJQEVJXIVMTOO-SUMWQHHRSA-N -1 3 355.394 2.551 20 5 FFBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000066106291 506423956 /nfs/dbraw/zinc/42/39/56/506423956.db2.gz AHLDPQODKROWSO-UHFFFAOYSA-N -1 3 369.468 2.969 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC2CCCCC2)c(F)c1 ZINC000055218604 506702244 /nfs/dbraw/zinc/70/22/44/506702244.db2.gz WTMSRHYWLCUMEJ-UHFFFAOYSA-N -1 3 360.407 2.752 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000067433564 506878291 /nfs/dbraw/zinc/87/82/91/506878291.db2.gz NCEWBGMCWORRPR-KBPBESRZSA-N -1 3 350.371 2.877 20 5 FFBDHM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000055991632 506905855 /nfs/dbraw/zinc/90/58/55/506905855.db2.gz WUIDNGRPLUCIBD-UHFFFAOYSA-N -1 3 369.830 2.663 20 5 FFBDHM CCOCc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056041149 506916491 /nfs/dbraw/zinc/91/64/91/506916491.db2.gz RYSZNUXWRLEZFX-UHFFFAOYSA-N -1 3 368.386 2.749 20 5 FFBDHM Cc1csc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000045807965 507025132 /nfs/dbraw/zinc/02/51/32/507025132.db2.gz XOMOBMKOGIAMHJ-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000057019570 507152586 /nfs/dbraw/zinc/15/25/86/507152586.db2.gz NUGDVUOOHFGEIA-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000057019569 507152617 /nfs/dbraw/zinc/15/26/17/507152617.db2.gz NUGDVUOOHFGEIA-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000068838726 507338293 /nfs/dbraw/zinc/33/82/93/507338293.db2.gz KKQMGSKQOFPJNH-UHFFFAOYSA-N -1 3 357.391 2.930 20 5 FFBDHM CC(=O)c1ccc(NCCCNC(=O)c2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000060363024 507531002 /nfs/dbraw/zinc/53/10/02/507531002.db2.gz SWFSJOHUUGLDNY-UHFFFAOYSA-N -1 3 357.366 2.735 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000064342887 507791817 /nfs/dbraw/zinc/79/18/17/507791817.db2.gz XIFRKNRDYZPYJN-UHFFFAOYSA-N -1 3 364.361 2.835 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000108875424 507923387 /nfs/dbraw/zinc/92/33/87/507923387.db2.gz NWWIAZDFKFNUON-CYBMUJFWSA-N -1 3 362.407 2.748 20 5 FFBDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000102823909 508286165 /nfs/dbraw/zinc/28/61/65/508286165.db2.gz BCQPDGXAGRVETM-UHFFFAOYSA-N -1 3 357.301 2.537 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(F)cc1F ZINC000084675052 508289729 /nfs/dbraw/zinc/28/97/29/508289729.db2.gz NJQPUFGTVSWMFD-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM COc1cccc(C2([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])CC2)c1 ZINC000127676556 508484803 /nfs/dbraw/zinc/48/48/03/508484803.db2.gz QZHZFYBNTZCRNZ-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)cc1C ZINC000127807550 508502837 /nfs/dbraw/zinc/50/28/37/508502837.db2.gz YFTUURYXFLLOMW-GOEBONIOSA-N -1 3 370.471 2.821 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCOc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000122855368 508596600 /nfs/dbraw/zinc/59/66/00/508596600.db2.gz IFYZVUOVHVMBLD-UHFFFAOYSA-N -1 3 356.425 2.630 20 5 FFBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000135683414 508640486 /nfs/dbraw/zinc/64/04/86/508640486.db2.gz PGHRXEGBMSGLDB-UHFFFAOYSA-N -1 3 350.396 2.515 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000123370216 508676224 /nfs/dbraw/zinc/67/62/24/508676224.db2.gz ZILOFMUPJJNKSF-RYUDHWBXSA-N -1 3 356.400 2.938 20 5 FFBDHM Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000130726023 508837310 /nfs/dbraw/zinc/83/73/10/508837310.db2.gz MTNMRPIVFTTYOT-UHFFFAOYSA-N -1 3 367.365 2.734 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)c1ccc(C)cc1 ZINC000159676235 508874593 /nfs/dbraw/zinc/87/45/93/508874593.db2.gz KQMHDNAVXSEUIY-ZDUSSCGKSA-N -1 3 364.423 2.994 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nc(C)cs1 ZINC000150810745 508898268 /nfs/dbraw/zinc/89/82/68/508898268.db2.gz POVSQTNTNZMOEJ-NSHDSACASA-N -1 3 371.440 2.798 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)c1C ZINC000120995441 509105482 /nfs/dbraw/zinc/10/54/82/509105482.db2.gz MTGJGPLNRKFHHG-CYBMUJFWSA-N -1 3 365.455 2.850 20 5 FFBDHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000126743894 509122025 /nfs/dbraw/zinc/12/20/25/509122025.db2.gz OAGNCUSPJNYSDN-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CC(C)OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000179023584 509228698 /nfs/dbraw/zinc/22/86/98/509228698.db2.gz VEKDRMNJZXUXFV-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM O=C(Nc1ccccc1O[C@@H]1CCOC1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000162963792 509324535 /nfs/dbraw/zinc/32/45/35/509324535.db2.gz AQDVFKNIHNBCJZ-GFCCVEGCSA-N -1 3 368.349 2.891 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1[N+](=O)[O-] ZINC000165263574 509564364 /nfs/dbraw/zinc/56/43/64/509564364.db2.gz REKWPYOWRVUYSR-UHFFFAOYSA-N -1 3 357.775 2.761 20 5 FFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000267610225 509564867 /nfs/dbraw/zinc/56/48/67/509564867.db2.gz HLQHCBIOAJJOOG-SNVBAGLBSA-N -1 3 371.440 2.546 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCc2ccccc2)cc1[N+](=O)[O-] ZINC000186185744 509565349 /nfs/dbraw/zinc/56/53/49/509565349.db2.gz SMYBYRLEWDINIY-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173516961 509639774 /nfs/dbraw/zinc/63/97/74/509639774.db2.gz ZXMLYEUJNFTUIY-SECBINFHSA-N -1 3 350.824 2.730 20 5 FFBDHM Cn1cnnc1[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192834583 509663859 /nfs/dbraw/zinc/66/38/59/509663859.db2.gz NWWGAWOQQDGQMH-UHFFFAOYSA-N -1 3 353.338 2.555 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)N(C)C ZINC000192865756 509677523 /nfs/dbraw/zinc/67/75/23/509677523.db2.gz FYYQEGNUTUDYII-IAQYHMDHSA-N -1 3 369.468 2.626 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000192928724 509703058 /nfs/dbraw/zinc/70/30/58/509703058.db2.gz YGEXRHYOWGTYAE-OAHLLOKOSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000186482585 509731922 /nfs/dbraw/zinc/73/19/22/509731922.db2.gz TWRUCLRBMFOVNU-MRVPVSSYSA-N -1 3 359.404 2.581 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccc(-c2nnco2)c1 ZINC000183387246 509754703 /nfs/dbraw/zinc/75/47/03/509754703.db2.gz AWOLRFSMQQYYNW-UHFFFAOYSA-N -1 3 360.351 2.587 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(Cl)cc2c1OCC2 ZINC000186557312 509770235 /nfs/dbraw/zinc/77/02/35/509770235.db2.gz UARNHQKTVWOYMV-UHFFFAOYSA-N -1 3 368.798 2.662 20 5 FFBDHM Cc1nccc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)n1 ZINC000193135795 509793104 /nfs/dbraw/zinc/79/31/04/509793104.db2.gz SIXOXGDUKZIAJP-UHFFFAOYSA-N -1 3 351.322 2.713 20 5 FFBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000189958057 509853094 /nfs/dbraw/zinc/85/30/94/509853094.db2.gz AHPGSQIMTXXRIO-UHFFFAOYSA-N -1 3 369.468 2.806 20 5 FFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C(C)=O)s2)cc1OC ZINC000265532305 510102323 /nfs/dbraw/zinc/10/23/23/510102323.db2.gz VYFBCWJVSFDURV-UHFFFAOYSA-N -1 3 365.367 2.914 20 5 FFBDHM COc1cc(CNC[C@@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])cc1[O-] ZINC000174441448 510116950 /nfs/dbraw/zinc/11/69/50/510116950.db2.gz BAKQFONDHMLNDT-QGZVFWFLSA-N -1 3 350.371 2.516 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000180815677 510123873 /nfs/dbraw/zinc/12/38/73/510123873.db2.gz GWMMBAFTBZFBAJ-UHFFFAOYSA-N -1 3 358.379 2.927 20 5 FFBDHM Cn1c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2nc1C1CC1 ZINC000187212259 510127207 /nfs/dbraw/zinc/12/72/07/510127207.db2.gz BALWHTNTYXKHFV-UHFFFAOYSA-N -1 3 353.338 2.712 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2scc(C(=O)OC)c2C)c1[N+](=O)[O-] ZINC000180929539 510188000 /nfs/dbraw/zinc/18/80/00/510188000.db2.gz NEGJYWDOELSNNS-UHFFFAOYSA-N -1 3 352.372 2.679 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000184400488 510305810 /nfs/dbraw/zinc/30/58/10/510305810.db2.gz JIHJWXZRVLXMHY-UHFFFAOYSA-N -1 3 360.301 2.892 20 5 FFBDHM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187560443 510331880 /nfs/dbraw/zinc/33/18/80/510331880.db2.gz FRUKLCFKPDVJOF-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000187845115 510466757 /nfs/dbraw/zinc/46/67/57/510466757.db2.gz BJBGRCRNBZZZKA-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000184695750 510467568 /nfs/dbraw/zinc/46/75/68/510467568.db2.gz NBFCIYZAUYDPOO-UHFFFAOYSA-N -1 3 355.441 2.794 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000175114229 510487773 /nfs/dbraw/zinc/48/77/73/510487773.db2.gz JLZBEIHHJFHQOO-GFCCVEGCSA-N -1 3 372.834 2.720 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000175402962 510630216 /nfs/dbraw/zinc/63/02/16/510630216.db2.gz NDHCIYYNIVTSII-UHFFFAOYSA-N -1 3 370.814 2.743 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000247036213 510811672 /nfs/dbraw/zinc/81/16/72/510811672.db2.gz UYPYIWQOWDWWOS-DAXOMENPSA-N -1 3 366.439 2.529 20 5 FFBDHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000365019635 511210012 /nfs/dbraw/zinc/21/00/12/511210012.db2.gz PJEBMAMWEUEQJT-LLVKDONJSA-N -1 3 353.425 2.716 20 5 FFBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000292001348 511424740 /nfs/dbraw/zinc/42/47/40/511424740.db2.gz UURLKZHMMFJTTO-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)N2CCCC2)cc1 ZINC000302997229 511722839 /nfs/dbraw/zinc/72/28/39/511722839.db2.gz GUHWTZIIHHJLFP-QGZVFWFLSA-N -1 3 370.409 2.571 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000323635325 511829788 /nfs/dbraw/zinc/82/97/88/511829788.db2.gz RGPAVDNLTOKQBZ-AWEZNQCLSA-N -1 3 370.409 2.646 20 5 FFBDHM C[C@@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397997928 512951460 /nfs/dbraw/zinc/95/14/60/512951460.db2.gz CQYDTVZLVTURHX-OCCSQVGLSA-N -1 3 356.382 2.763 20 5 FFBDHM Cc1c(Cl)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)nn1C ZINC000421434010 513262095 /nfs/dbraw/zinc/26/20/95/513262095.db2.gz QJVLHLHSHASXQY-UHFFFAOYSA-N -1 3 366.761 2.704 20 5 FFBDHM COC(=O)[C@@H]1CCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])s3)nc2C1 ZINC000421632987 513345275 /nfs/dbraw/zinc/34/52/75/513345275.db2.gz TUYPLUVGSQKTHU-SSDOTTSWSA-N -1 3 367.408 2.643 20 5 FFBDHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OC ZINC000446922510 513361109 /nfs/dbraw/zinc/36/11/09/513361109.db2.gz MQJRNFYIPPAJGP-CQSZACIVSA-N -1 3 362.423 2.854 20 5 FFBDHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])OC ZINC000446929884 513362385 /nfs/dbraw/zinc/36/23/85/513362385.db2.gz SNZXLUFIWBTBNZ-OAHLLOKOSA-N -1 3 374.459 2.723 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c(C(F)(F)F)c1 ZINC000425236903 513466139 /nfs/dbraw/zinc/46/61/39/513466139.db2.gz KPUYDIHTVHHBCI-AYMMMOKOSA-N -1 3 350.318 2.690 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cccc(OC)c3[N+](=O)[O-])[n-]c21 ZINC000435902648 513711879 /nfs/dbraw/zinc/71/18/79/513711879.db2.gz NMVUBMRMXUYEBR-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(OC)c3[N+](=O)[O-])nc21 ZINC000435902648 513711883 /nfs/dbraw/zinc/71/18/83/513711883.db2.gz NMVUBMRMXUYEBR-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM CC(C)(C)C(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416467545 513788338 /nfs/dbraw/zinc/78/83/38/513788338.db2.gz VLNAZHZNSJWPTI-UHFFFAOYSA-N -1 3 368.333 2.507 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000416484243 513796804 /nfs/dbraw/zinc/79/68/04/513796804.db2.gz RQOMYKYWLGJUHJ-UHFFFAOYSA-N -1 3 367.427 2.939 20 5 FFBDHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000416510994 513810308 /nfs/dbraw/zinc/81/03/08/513810308.db2.gz WKOOPKJIFHPIJK-UHFFFAOYSA-N -1 3 370.258 2.520 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc2c(s1)CCC2 ZINC000416527198 513817927 /nfs/dbraw/zinc/81/79/27/513817927.db2.gz ARUYFJPNYCITDJ-MRVPVSSYSA-N -1 3 371.415 2.719 20 5 FFBDHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CC1 ZINC000416587070 513850231 /nfs/dbraw/zinc/85/02/31/513850231.db2.gz HOYLBTULGQEONG-MLGOLLRUSA-N -1 3 356.444 2.694 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(O)CCCCCC2)c1C ZINC000443196046 513899919 /nfs/dbraw/zinc/89/99/19/513899919.db2.gz MQZYRTUWZROFLM-UHFFFAOYSA-N -1 3 356.444 2.575 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c2ncccc12 ZINC000451819658 514003197 /nfs/dbraw/zinc/00/31/97/514003197.db2.gz BGJQMMSCJNAEAG-JTQLQIEISA-N -1 3 371.365 2.857 20 5 FFBDHM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CCCCC1 ZINC000451891139 514049829 /nfs/dbraw/zinc/04/98/29/514049829.db2.gz OHFDQLILTAZCBZ-UHFFFAOYSA-N -1 3 370.427 2.773 20 5 FFBDHM O=C(c1cccc([O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432331841 514162567 /nfs/dbraw/zinc/16/25/67/514162567.db2.gz QXQRBNURCFCJAG-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c(F)c1 ZINC000420704596 514250799 /nfs/dbraw/zinc/25/07/99/514250799.db2.gz IXORJJOREPQZIB-SNVBAGLBSA-N -1 3 360.432 2.546 20 5 FFBDHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484267361 514611033 /nfs/dbraw/zinc/61/10/33/514611033.db2.gz JODOVRHBRSDGAU-UHFFFAOYSA-N -1 3 357.322 2.989 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000466588676 514701237 /nfs/dbraw/zinc/70/12/37/514701237.db2.gz WTSYYEQDWGMOOU-SJORKVTESA-N -1 3 368.455 2.695 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000479994367 514802566 /nfs/dbraw/zinc/80/25/66/514802566.db2.gz KCMSQJJGACSNNY-CYBMUJFWSA-N -1 3 368.411 2.861 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000480047164 514824066 /nfs/dbraw/zinc/82/40/66/514824066.db2.gz OZZBDATUZJMLPA-ZDUSSCGKSA-N -1 3 368.411 2.861 20 5 FFBDHM Nc1c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc(F)cc1[N+](=O)[O-] ZINC000484963018 514856749 /nfs/dbraw/zinc/85/67/49/514856749.db2.gz NGOKOIMBWPPQGL-UHFFFAOYSA-N -1 3 365.268 2.525 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000508745790 514880600 /nfs/dbraw/zinc/88/06/00/514880600.db2.gz GBGYCFOVZWBPFP-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000467066555 514884457 /nfs/dbraw/zinc/88/44/57/514884457.db2.gz WKWDOLSAJHHLMM-NSHDSACASA-N -1 3 352.393 2.571 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467083050 514893509 /nfs/dbraw/zinc/89/35/09/514893509.db2.gz DYRPUGHBCNGLNP-OLZOCXBDSA-N -1 3 352.437 2.874 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000462492264 515083318 /nfs/dbraw/zinc/08/33/18/515083318.db2.gz QAQRKGXCQBGUDS-ZFWWWQNUSA-N -1 3 362.407 2.513 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000456326213 515094994 /nfs/dbraw/zinc/09/49/94/515094994.db2.gz GLIKNIOOYBZELR-HNNXBMFYSA-N -1 3 369.421 2.895 20 5 FFBDHM COc1cc(Cc2nc3ccc([O-])cc3c(=O)[nH]2)c([N+](=O)[O-])c(OC)c1 ZINC000462524034 515105119 /nfs/dbraw/zinc/10/51/19/515105119.db2.gz VIXDCPVYRQHGGS-UHFFFAOYSA-N -1 3 357.322 2.557 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000481024023 515175939 /nfs/dbraw/zinc/17/59/39/515175939.db2.gz OJTKUVNKJGGWNX-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000481024559 515176208 /nfs/dbraw/zinc/17/62/08/515176208.db2.gz OZVVIAVXYNAAFG-JTQLQIEISA-N -1 3 354.359 2.782 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CC(=O)c2ccccc21 ZINC000476962000 515266059 /nfs/dbraw/zinc/26/60/59/515266059.db2.gz SNMHJGZYXGOPRQ-OAHLLOKOSA-N -1 3 362.345 2.716 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)ccc1[N+](=O)[O-] ZINC000499289608 515270921 /nfs/dbraw/zinc/27/09/21/515270921.db2.gz ZDWLHJZCVYSJML-UHFFFAOYSA-N -1 3 362.367 2.589 20 5 FFBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC1=CCCCC1)OCCO2 ZINC000477148436 515347981 /nfs/dbraw/zinc/34/79/81/515347981.db2.gz HZUSCHZJKGNUMT-UHFFFAOYSA-N -1 3 368.411 2.535 20 5 FFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1 ZINC000486255793 515404129 /nfs/dbraw/zinc/40/41/29/515404129.db2.gz LDTYGAFTXHMJHF-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM CCOC(=O)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000505226594 515480386 /nfs/dbraw/zinc/48/03/86/515480386.db2.gz WUATWTAQQAFTRJ-UHFFFAOYSA-N -1 3 354.322 2.900 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)c1C ZINC000510599383 515602575 /nfs/dbraw/zinc/60/25/75/515602575.db2.gz KHEYVFBYJRUMLQ-NSHDSACASA-N -1 3 353.375 2.785 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C1CCCCC1 ZINC000469179320 515707496 /nfs/dbraw/zinc/70/74/96/515707496.db2.gz QPIUZNRGYHKCEQ-NSHDSACASA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000505929497 515727694 /nfs/dbraw/zinc/72/76/94/515727694.db2.gz DOCMPUOMVGAASJ-CZUORRHYSA-N -1 3 355.394 2.866 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000473848264 515773636 /nfs/dbraw/zinc/77/36/36/515773636.db2.gz QTTXLLQLTHVZJE-GFCCVEGCSA-N -1 3 370.287 2.862 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000473848265 515773964 /nfs/dbraw/zinc/77/39/64/515773964.db2.gz QTTXLLQLTHVZJE-LBPRGKRZSA-N -1 3 370.287 2.862 20 5 FFBDHM CC[C@@H](C)c1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000478702535 515932094 /nfs/dbraw/zinc/93/20/94/515932094.db2.gz VRQRPWUXBQJPFW-GFCCVEGCSA-N -1 3 364.427 2.883 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCO[C@H]1CC(C)C ZINC000478786004 515962859 /nfs/dbraw/zinc/96/28/59/515962859.db2.gz YQIBHKYSTMWXTM-HIFRSBDPSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479129464 516070278 /nfs/dbraw/zinc/07/02/78/516070278.db2.gz LLBKFUBLVCOBQK-LBPRGKRZSA-N -1 3 352.334 2.913 20 5 FFBDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000507285924 516158512 /nfs/dbraw/zinc/15/85/12/516158512.db2.gz VVQAYHBELADXFU-CJNGLKHVSA-N -1 3 355.394 2.693 20 5 FFBDHM O=C(CCOCc1ccccc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523548473 516503777 /nfs/dbraw/zinc/50/37/77/516503777.db2.gz FBGONXYIUCOKLZ-UHFFFAOYSA-N -1 3 366.377 2.952 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C ZINC000544106145 516584072 /nfs/dbraw/zinc/58/40/72/516584072.db2.gz WPNUZPWJGKPDSV-CYBMUJFWSA-N -1 3 362.473 2.659 20 5 FFBDHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000544104625 516585103 /nfs/dbraw/zinc/58/51/03/516585103.db2.gz JGJDTJHYGRXKDU-GHMZBOCLSA-N -1 3 362.835 2.732 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCC2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000554928563 516702469 /nfs/dbraw/zinc/70/24/69/516702469.db2.gz JMGHYAXLEYICMU-STQMWFEESA-N -1 3 356.444 2.775 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c1 ZINC000555456931 516934552 /nfs/dbraw/zinc/93/45/52/516934552.db2.gz JXKBOSWOBMOGBW-WDEREUQCSA-N -1 3 367.196 2.526 20 5 FFBDHM CSC1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cc21 ZINC000545089483 517049013 /nfs/dbraw/zinc/04/90/13/517049013.db2.gz WNOGKSUUZBTKBG-LBPRGKRZSA-N -1 3 357.351 2.996 20 5 FFBDHM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc(Cl)cc1[O-] ZINC000532840852 517163967 /nfs/dbraw/zinc/16/39/67/517163967.db2.gz ZPLOPKWWFPCMPU-UHFFFAOYSA-N -1 3 364.741 2.906 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000545363285 517199461 /nfs/dbraw/zinc/19/94/61/517199461.db2.gz BOVDPTRJOUJLFB-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1ccc2c(c1)OCO2 ZINC000515714990 517456675 /nfs/dbraw/zinc/45/66/75/517456675.db2.gz HNXNYXLTVDEHNH-LLVKDONJSA-N -1 3 364.379 2.671 20 5 FFBDHM CCC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCN1CCOC ZINC000516572872 517748991 /nfs/dbraw/zinc/74/89/91/517748991.db2.gz QFTCHNWKRAQSAY-CQSZACIVSA-N -1 3 365.430 2.539 20 5 FFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000553547126 517774424 /nfs/dbraw/zinc/77/44/24/517774424.db2.gz IDCRLDOXZBIXJQ-UHFFFAOYSA-N -1 3 358.460 2.943 20 5 FFBDHM CC(C)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000549911442 517775615 /nfs/dbraw/zinc/77/56/15/517775615.db2.gz ZMWAGBYCWWXBLP-UHFFFAOYSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1cnn(C(C)C)c1 ZINC000522135069 517998236 /nfs/dbraw/zinc/99/82/36/517998236.db2.gz HPSLALDVIBKBKO-GFCCVEGCSA-N -1 3 352.416 2.720 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000557526727 518057179 /nfs/dbraw/zinc/05/71/79/518057179.db2.gz JETROYRVYNAXAI-UHFFFAOYSA-N -1 3 365.393 2.520 20 5 FFBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N=c1cc2ccccn2[n-]1 ZINC000557533104 518059961 /nfs/dbraw/zinc/05/99/61/518059961.db2.gz IYYYVLIEKBRJPB-UHFFFAOYSA-N -1 3 360.757 2.725 20 5 FFBDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000522436687 518106868 /nfs/dbraw/zinc/10/68/68/518106868.db2.gz VVJGWIFFOQCSBU-ZDUSSCGKSA-N -1 3 373.450 2.667 20 5 FFBDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000522435560 518108288 /nfs/dbraw/zinc/10/82/88/518108288.db2.gz WUYJBAPKJHXHJL-AWEZNQCLSA-N -1 3 373.450 2.667 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCN2CCc3ccccc3C2)n1 ZINC000582303924 518689387 /nfs/dbraw/zinc/68/93/87/518689387.db2.gz SUIYZRZXFHNCHB-UHFFFAOYSA-N -1 3 356.382 2.548 20 5 FFBDHM CCOC(=O)c1ccccc1N(C)C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000579523709 518720129 /nfs/dbraw/zinc/72/01/29/518720129.db2.gz WJMHNJQMGAJXRR-UHFFFAOYSA-N -1 3 368.349 2.924 20 5 FFBDHM CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000565425590 518948817 /nfs/dbraw/zinc/94/88/17/518948817.db2.gz GZQMLIKKBVTRBH-UHFFFAOYSA-N -1 3 360.366 2.569 20 5 FFBDHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000569236971 519448636 /nfs/dbraw/zinc/44/86/36/519448636.db2.gz GKXAMXCAKBNQFF-UHFFFAOYSA-N -1 3 364.489 2.820 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)cc1C ZINC000594483929 519991937 /nfs/dbraw/zinc/99/19/37/519991937.db2.gz LFRNTHYRIAXOME-CABCVRRESA-N -1 3 367.471 2.507 20 5 FFBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756393 520136372 /nfs/dbraw/zinc/13/63/72/520136372.db2.gz DPYWIMNUDSDFRT-NSHDSACASA-N -1 3 369.468 2.953 20 5 FFBDHM O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609113188 520195230 /nfs/dbraw/zinc/19/52/30/520195230.db2.gz NINDBZSIHCHJIQ-UHFFFAOYSA-N -1 3 352.278 2.836 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000609465661 520321521 /nfs/dbraw/zinc/32/15/21/520321521.db2.gz CANDPHOQMKMXPK-UHFFFAOYSA-N -1 3 352.387 2.953 20 5 FFBDHM O=C([O-])[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000595883441 520791371 /nfs/dbraw/zinc/79/13/71/520791371.db2.gz AXXTWFORBFUCFO-OAHLLOKOSA-N -1 3 369.377 2.607 20 5 FFBDHM O=C(C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000596090685 520905898 /nfs/dbraw/zinc/90/58/98/520905898.db2.gz RZNIJERQYDJGAO-UHFFFAOYSA-N -1 3 368.393 2.501 20 5 FFBDHM O=c1[n-]ccc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1[N+](=O)[O-] ZINC000596189348 520960832 /nfs/dbraw/zinc/96/08/32/520960832.db2.gz HNMUMVUSFHKGDS-VIFPVBQESA-N -1 3 357.292 2.752 20 5 FFBDHM CCOC(=O)c1nc(C2CCN(c3cc(C)sc3[N+](=O)[O-])CC2)n[n-]1 ZINC000596212128 520974254 /nfs/dbraw/zinc/97/42/54/520974254.db2.gz BUSIDIOPPWFNHL-UHFFFAOYSA-N -1 3 365.415 2.644 20 5 FFBDHM CCOC(=O)c1nnc(C2CCN(c3cc(C)sc3[N+](=O)[O-])CC2)[n-]1 ZINC000596212128 520974262 /nfs/dbraw/zinc/97/42/62/520974262.db2.gz BUSIDIOPPWFNHL-UHFFFAOYSA-N -1 3 365.415 2.644 20 5 FFBDHM CCOC(=O)c1n[n-]c(C2CCN(c3cc(C)sc3[N+](=O)[O-])CC2)n1 ZINC000596212128 520974267 /nfs/dbraw/zinc/97/42/67/520974267.db2.gz BUSIDIOPPWFNHL-UHFFFAOYSA-N -1 3 365.415 2.644 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000599464983 521240258 /nfs/dbraw/zinc/24/02/58/521240258.db2.gz ZJPCIEUGIMIKQC-GFCCVEGCSA-N -1 3 373.862 2.543 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COc2cc(F)cc(F)c21 ZINC000612172724 521518792 /nfs/dbraw/zinc/51/87/92/521518792.db2.gz HLOLQHYZTDCLCI-NSHDSACASA-N -1 3 370.333 2.593 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2F ZINC000619478400 521589233 /nfs/dbraw/zinc/58/92/33/521589233.db2.gz IJBRTQAEEIUBEA-ZDUSSCGKSA-N -1 3 366.370 2.708 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@]1(C)c1ccccc1 ZINC000619486989 521593989 /nfs/dbraw/zinc/59/39/89/521593989.db2.gz QNMZXUAKMXMCEP-DOTOQJQBSA-N -1 3 362.407 2.612 20 5 FFBDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])n[nH]2)[nH][n-]1 ZINC000493692345 561457656 /nfs/dbraw/zinc/45/76/56/561457656.db2.gz VMAYYSFAJGSGMC-UHFFFAOYSA-N -1 3 362.733 2.622 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000473847461 561058941 /nfs/dbraw/zinc/05/89/41/561058941.db2.gz CPQUSXYUALICDY-AWEZNQCLSA-N -1 3 353.338 2.970 20 5 FFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473850806 561059154 /nfs/dbraw/zinc/05/91/54/561059154.db2.gz PMFHYOCKBLJLRY-HNNXBMFYSA-N -1 3 355.354 2.832 20 5 FFBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000736615036 598977778 /nfs/dbraw/zinc/97/77/78/598977778.db2.gz XAAPOLLWDYSQMI-HZPDHXFCSA-N -1 3 372.429 2.949 20 5 FFBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000736615036 598977780 /nfs/dbraw/zinc/97/77/80/598977780.db2.gz XAAPOLLWDYSQMI-HZPDHXFCSA-N -1 3 372.429 2.949 20 5 FFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1sccc1-c1nnn[n-]1 ZINC000738229785 599062910 /nfs/dbraw/zinc/06/29/10/599062910.db2.gz ACNVBGQREAULGV-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821786839 599216319 /nfs/dbraw/zinc/21/63/19/599216319.db2.gz KLQGFHABBBRRSX-HNNXBMFYSA-N -1 3 367.369 2.520 20 5 FFBDHM COc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821786839 599216320 /nfs/dbraw/zinc/21/63/20/599216320.db2.gz KLQGFHABBBRRSX-HNNXBMFYSA-N -1 3 367.369 2.520 20 5 FFBDHM Cc1c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822076671 607281194 /nfs/dbraw/zinc/28/11/94/607281194.db2.gz QFRLGYCOTZUSNI-UHFFFAOYSA-N -1 3 367.369 2.747 20 5 FFBDHM Cc1c(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822076671 607281195 /nfs/dbraw/zinc/28/11/95/607281195.db2.gz QFRLGYCOTZUSNI-UHFFFAOYSA-N -1 3 367.369 2.747 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000736650231 598314801 /nfs/dbraw/zinc/31/48/01/598314801.db2.gz CJAOPLXHABZMSX-UHFFFAOYSA-N -1 3 372.360 2.603 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000736650231 598314803 /nfs/dbraw/zinc/31/48/03/598314803.db2.gz CJAOPLXHABZMSX-UHFFFAOYSA-N -1 3 372.360 2.603 20 5 FFBDHM C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736157172 598489148 /nfs/dbraw/zinc/48/91/48/598489148.db2.gz ZZGKYPJOLLPPJT-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736157172 598489149 /nfs/dbraw/zinc/48/91/49/598489149.db2.gz ZZGKYPJOLLPPJT-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735662708 598568186 /nfs/dbraw/zinc/56/81/86/598568186.db2.gz WHLDDEYZPGQZKQ-UHFFFAOYSA-N -1 3 373.348 2.723 20 5 FFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735662708 598568188 /nfs/dbraw/zinc/56/81/88/598568188.db2.gz WHLDDEYZPGQZKQ-UHFFFAOYSA-N -1 3 373.348 2.723 20 5 FFBDHM COc1ccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC000737090326 598612806 /nfs/dbraw/zinc/61/28/06/598612806.db2.gz MWUZBQLGQCCUKN-UHFFFAOYSA-N -1 3 358.333 2.577 20 5 FFBDHM COc1ccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC000737090326 598612808 /nfs/dbraw/zinc/61/28/08/598612808.db2.gz MWUZBQLGQCCUKN-UHFFFAOYSA-N -1 3 358.333 2.577 20 5 FFBDHM COc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737073789 598814135 /nfs/dbraw/zinc/81/41/35/598814135.db2.gz SXBUXGJMBPQDNQ-LLVKDONJSA-N -1 3 354.370 2.981 20 5 FFBDHM COc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737073789 598814137 /nfs/dbraw/zinc/81/41/37/598814137.db2.gz SXBUXGJMBPQDNQ-LLVKDONJSA-N -1 3 354.370 2.981 20 5 FFBDHM C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820392204 599524356 /nfs/dbraw/zinc/52/43/56/599524356.db2.gz SJGFWPYCSQGRMM-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820392204 599524358 /nfs/dbraw/zinc/52/43/58/599524358.db2.gz SJGFWPYCSQGRMM-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM CN(CCn1ccc([N+](=O)[O-])n1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830800707 601376978 /nfs/dbraw/zinc/37/69/78/601376978.db2.gz UUBLJQIHGLULOE-ZDUSSCGKSA-N -1 3 373.196 2.856 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2cccc(-c3ccccn3)c2)c(-c2nnn[n-]2)c1 ZINC000826501063 607678738 /nfs/dbraw/zinc/67/87/38/607678738.db2.gz XWORYEQPPYVAOY-UHFFFAOYSA-N -1 3 374.364 2.844 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2cccc(-c3ccccn3)c2)c(-c2nn[n-]n2)c1 ZINC000826501063 607678740 /nfs/dbraw/zinc/67/87/40/607678740.db2.gz XWORYEQPPYVAOY-UHFFFAOYSA-N -1 3 374.364 2.844 20 5 FFBDHM C[C@@]1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833568380 604815354 /nfs/dbraw/zinc/81/53/54/604815354.db2.gz DKRJNQFADSXWEJ-CXAGYDPISA-N -1 3 360.370 2.768 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCOc2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC000826498842 607736828 /nfs/dbraw/zinc/73/68/28/607736828.db2.gz LSZOEUZLUCBRKI-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCOc2ccccc2Cl)c(-c2nn[n-]n2)c1 ZINC000826498842 607736829 /nfs/dbraw/zinc/73/68/29/607736829.db2.gz LSZOEUZLUCBRKI-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM CCc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476046 606130870 /nfs/dbraw/zinc/13/08/70/606130870.db2.gz FKEWIUAWYTWRFA-UHFFFAOYSA-N -1 3 353.338 2.694 20 5 FFBDHM CCc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821476046 606130871 /nfs/dbraw/zinc/13/08/71/606130871.db2.gz FKEWIUAWYTWRFA-UHFFFAOYSA-N -1 3 353.338 2.694 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823346101 606273479 /nfs/dbraw/zinc/27/34/79/606273479.db2.gz ILNZPVWMQQNMMX-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823346101 606273481 /nfs/dbraw/zinc/27/34/81/606273481.db2.gz ILNZPVWMQQNMMX-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM CCCCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821072175 606402989 /nfs/dbraw/zinc/40/29/89/606402989.db2.gz RNFAWSYZTMMSCP-QWHCGFSZSA-N -1 3 361.406 2.566 20 5 FFBDHM CCCCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821072175 606402990 /nfs/dbraw/zinc/40/29/90/606402990.db2.gz RNFAWSYZTMMSCP-QWHCGFSZSA-N -1 3 361.406 2.566 20 5 FFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1C ZINC000820909161 606427713 /nfs/dbraw/zinc/42/77/13/606427713.db2.gz UWUBTMQFMZBTHV-CYBMUJFWSA-N -1 3 369.385 2.748 20 5 FFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1C ZINC000820909161 606427716 /nfs/dbraw/zinc/42/77/16/606427716.db2.gz UWUBTMQFMZBTHV-CYBMUJFWSA-N -1 3 369.385 2.748 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820461280 606592161 /nfs/dbraw/zinc/59/21/61/606592161.db2.gz GQVOMMFTMHFWEO-FTGAXOIBSA-N -1 3 367.369 2.535 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1Oc2ccccc2[C@H]1C ZINC000820461280 606592163 /nfs/dbraw/zinc/59/21/63/606592163.db2.gz GQVOMMFTMHFWEO-FTGAXOIBSA-N -1 3 367.369 2.535 20 5 FFBDHM Cc1ccc([C@H](C)OC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822230298 606623384 /nfs/dbraw/zinc/62/33/84/606623384.db2.gz BPHVCLJBWABADS-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1ccc([C@H](C)OC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822230298 606623385 /nfs/dbraw/zinc/62/33/85/606623385.db2.gz BPHVCLJBWABADS-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821609802 606626452 /nfs/dbraw/zinc/62/64/52/606626452.db2.gz MGRNRRGNXYLEET-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821609802 606626454 /nfs/dbraw/zinc/62/64/54/606626454.db2.gz MGRNRRGNXYLEET-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000820767130 606645426 /nfs/dbraw/zinc/64/54/26/606645426.db2.gz GKTCOXQEVQFTTB-YVEFUNNKSA-N -1 3 366.381 2.741 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822184456 606990238 /nfs/dbraw/zinc/99/02/38/606990238.db2.gz UWXRQSYNKPOVKJ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822184456 606990239 /nfs/dbraw/zinc/99/02/39/606990239.db2.gz UWXRQSYNKPOVKJ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822271049 607015982 /nfs/dbraw/zinc/01/59/82/607015982.db2.gz KHVKDUTVIYCFLU-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822271049 607015984 /nfs/dbraw/zinc/01/59/84/607015984.db2.gz KHVKDUTVIYCFLU-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820232517 607041538 /nfs/dbraw/zinc/04/15/38/607041538.db2.gz GOOWZCODYAVFPZ-QLJPJBMISA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820232517 607041541 /nfs/dbraw/zinc/04/15/41/607041541.db2.gz GOOWZCODYAVFPZ-QLJPJBMISA-N -1 3 372.360 2.838 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2-c2nnn[n-]2)nc1 ZINC000823645108 607046281 /nfs/dbraw/zinc/04/62/81/607046281.db2.gz OFQMLSJDMWFSRK-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2-c2nn[n-]n2)nc1 ZINC000823645108 607046283 /nfs/dbraw/zinc/04/62/83/607046283.db2.gz OFQMLSJDMWFSRK-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM CCc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821476293 607246277 /nfs/dbraw/zinc/24/62/77/607246277.db2.gz LVOIFLSCMRTMOG-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CCc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821476293 607246278 /nfs/dbraw/zinc/24/62/78/607246278.db2.gz LVOIFLSCMRTMOG-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000825825672 607787552 /nfs/dbraw/zinc/78/75/52/607787552.db2.gz HTUVJRANWGVXMR-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000825825672 607787553 /nfs/dbraw/zinc/78/75/53/607787553.db2.gz HTUVJRANWGVXMR-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826304229 608053069 /nfs/dbraw/zinc/05/30/69/608053069.db2.gz CVCNEBFHHDNPNE-MRXNPFEDSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826304229 608053070 /nfs/dbraw/zinc/05/30/70/608053070.db2.gz CVCNEBFHHDNPNE-MRXNPFEDSA-N -1 3 366.381 2.661 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000826184795 608154133 /nfs/dbraw/zinc/15/41/33/608154133.db2.gz LHRGYOMUQVIOLP-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000826184795 608154134 /nfs/dbraw/zinc/15/41/34/608154134.db2.gz LHRGYOMUQVIOLP-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000826498570 608240279 /nfs/dbraw/zinc/24/02/79/608240279.db2.gz AWKPZONRFFMECR-AWEZNQCLSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000826498570 608240280 /nfs/dbraw/zinc/24/02/80/608240280.db2.gz AWKPZONRFFMECR-AWEZNQCLSA-N -1 3 360.761 2.574 20 5 FFBDHM Cc1ccc(NCCCNc2nc(C)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826291351 608290403 /nfs/dbraw/zinc/29/04/03/608290403.db2.gz BBMAEHRSTCRHJL-UHFFFAOYSA-N -1 3 368.401 2.701 20 5 FFBDHM Cc1ccc(NCCCNc2nc(C)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826291351 608290405 /nfs/dbraw/zinc/29/04/05/608290405.db2.gz BBMAEHRSTCRHJL-UHFFFAOYSA-N -1 3 368.401 2.701 20 5 FFBDHM CC[C@@H](CSC)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825126089 608416786 /nfs/dbraw/zinc/41/67/86/608416786.db2.gz HFJXIIADTKOYQJ-VIFPVBQESA-N -1 3 359.415 2.877 20 5 FFBDHM CC[C@@H](CSC)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825126089 608416788 /nfs/dbraw/zinc/41/67/88/608416788.db2.gz HFJXIIADTKOYQJ-VIFPVBQESA-N -1 3 359.415 2.877 20 5 FFBDHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc([N+](=O)[O-])c1 ZINC000826261446 608444514 /nfs/dbraw/zinc/44/45/14/608444514.db2.gz FYBPGLZLAMVDPT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc([N+](=O)[O-])c1 ZINC000826261446 608444515 /nfs/dbraw/zinc/44/45/15/608444515.db2.gz FYBPGLZLAMVDPT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1ccsc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826500783 608583295 /nfs/dbraw/zinc/58/32/95/608583295.db2.gz MALIHSBWMYSIOW-UHFFFAOYSA-N -1 3 372.410 2.884 20 5 FFBDHM O=[N+]([O-])c1ccsc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826500783 608583298 /nfs/dbraw/zinc/58/32/98/608583298.db2.gz MALIHSBWMYSIOW-UHFFFAOYSA-N -1 3 372.410 2.884 20 5 FFBDHM CCOc1cccc([C@H]2C[C@H]2Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000825649793 608588959 /nfs/dbraw/zinc/58/89/59/608588959.db2.gz YEVYHBKCISULEE-UKRRQHHQSA-N -1 3 367.369 2.537 20 5 FFBDHM CCOc1cccc([C@H]2C[C@H]2Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000825649793 608588960 /nfs/dbraw/zinc/58/89/60/608588960.db2.gz YEVYHBKCISULEE-UKRRQHHQSA-N -1 3 367.369 2.537 20 5 FFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826498635 608869345 /nfs/dbraw/zinc/86/93/45/608869345.db2.gz DCXUBFNYKAHLBI-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826498635 608869347 /nfs/dbraw/zinc/86/93/47/608869347.db2.gz DCXUBFNYKAHLBI-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM CC(C)(C)Oc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000824124574 609431090 /nfs/dbraw/zinc/43/10/90/609431090.db2.gz VXDBQVTYRBUBRM-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000824124574 609431091 /nfs/dbraw/zinc/43/10/91/609431091.db2.gz VXDBQVTYRBUBRM-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2cn3ccccc3c2-c2nnn[n-]2)n1 ZINC000826263876 609436264 /nfs/dbraw/zinc/43/62/64/609436264.db2.gz UHOURDOMWZGEAP-UHFFFAOYSA-N -1 3 365.353 2.618 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCc2cn3ccccc3c2-c2nn[n-]n2)n1 ZINC000826263876 609436266 /nfs/dbraw/zinc/43/62/66/609436266.db2.gz UHOURDOMWZGEAP-UHFFFAOYSA-N -1 3 365.353 2.618 20 5 FFBDHM CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccccc1-c1nnn[n-]1 ZINC000825820678 609507207 /nfs/dbraw/zinc/50/72/07/609507207.db2.gz OWNYMJJEXIYQET-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccccc1-c1nn[n-]n1 ZINC000825820678 609507209 /nfs/dbraw/zinc/50/72/09/609507209.db2.gz OWNYMJJEXIYQET-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC=CO2)c(C(F)(F)F)c1 ZINC000780899751 738586958 /nfs/dbraw/zinc/58/69/58/738586958.db2.gz SCIQSFCUENOCJR-JTQLQIEISA-N -1 3 366.317 2.585 20 5 FFBDHM COC(=O)Nc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000782949132 738767277 /nfs/dbraw/zinc/76/72/77/738767277.db2.gz BQYPGHDXRBVSOS-UHFFFAOYSA-N -1 3 371.396 2.982 20 5 FFBDHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000731915757 734705256 /nfs/dbraw/zinc/70/52/56/734705256.db2.gz QNHIBANZCXUABW-QMMMGPOBSA-N -1 3 365.729 2.533 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000736157686 734977402 /nfs/dbraw/zinc/97/74/02/734977402.db2.gz DPHQVRLTRNASAB-UHFFFAOYSA-N -1 3 358.759 2.805 20 5 FFBDHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(N)c([N+](=O)[O-])c3)ccc2O1 ZINC000753362708 736059723 /nfs/dbraw/zinc/05/97/23/736059723.db2.gz VVGZYBJOQRCJPL-UHFFFAOYSA-N -1 3 363.395 2.691 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(Cl)n1 ZINC000760319837 736629000 /nfs/dbraw/zinc/62/90/00/736629000.db2.gz VXLKAXRRPMOJAL-UHFFFAOYSA-N -1 3 357.775 2.761 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000762273371 736809717 /nfs/dbraw/zinc/80/97/17/736809717.db2.gz FYPABRTZZIOYPO-UHFFFAOYSA-N -1 3 354.225 2.752 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCOC2)c(F)cc1[N+](=O)[O-] ZINC000921847560 738054689 /nfs/dbraw/zinc/05/46/89/738054689.db2.gz COWTWJIBUJEZCU-WBMJQRKESA-N -1 3 372.418 2.526 20 5 FFBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775596622 738104925 /nfs/dbraw/zinc/10/49/25/738104925.db2.gz KMPHDSQQPNEATP-UHFFFAOYSA-N -1 3 364.671 2.707 20 5 FFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)CO2 ZINC000778026489 738345032 /nfs/dbraw/zinc/34/50/32/738345032.db2.gz SCTOLBHVIMQBMA-CYBMUJFWSA-N -1 3 366.370 2.763 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000928979919 738928562 /nfs/dbraw/zinc/92/85/62/738928562.db2.gz DZPSCZMRVKVHDE-LLVKDONJSA-N -1 3 364.379 2.884 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnc(Cl)s2)c(Cl)c1 ZINC000809848415 741354179 /nfs/dbraw/zinc/35/41/79/741354179.db2.gz CQDAUUPOZJHWDC-UHFFFAOYSA-N -1 3 368.223 2.837 20 5 FFBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394506 741515030 /nfs/dbraw/zinc/51/50/30/741515030.db2.gz DQUYMLWGSVKTLJ-UHFFFAOYSA-N -1 3 367.770 2.810 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2ccc(Br)nc2)c(-c2nnn[n-]2)c1 ZINC000823645910 742954663 /nfs/dbraw/zinc/95/46/63/742954663.db2.gz VRHXTHXEDDAEOW-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2ccc(Br)nc2)c(-c2nn[n-]n2)c1 ZINC000823645910 742954665 /nfs/dbraw/zinc/95/46/65/742954665.db2.gz VRHXTHXEDDAEOW-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM CC(C)n1ccc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)n1 ZINC000848583211 748966075 /nfs/dbraw/zinc/96/60/75/748966075.db2.gz AAWBZCUAGNYXPE-UHFFFAOYSA-N -1 3 354.313 2.660 20 5 FFBDHM NC(=O)c1ccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c([N+](=O)[O-])c1 ZINC000011810734 845022182 /nfs/dbraw/zinc/02/21/82/845022182.db2.gz ABKYUTKGVGELQP-UHFFFAOYSA-N -1 3 358.137 2.686 20 5 FFBDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783952384 945270622 /nfs/dbraw/zinc/27/06/22/945270622.db2.gz SYAFOYVVBMBESO-KHPPLWFESA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783952384 945270635 /nfs/dbraw/zinc/27/06/35/945270635.db2.gz SYAFOYVVBMBESO-KHPPLWFESA-N -1 3 350.338 2.817 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](COc2ccccc2)C1 ZINC000826497606 948411993 /nfs/dbraw/zinc/41/19/93/948411993.db2.gz NDLHCXQQBAULGW-CYBMUJFWSA-N -1 3 366.381 2.680 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](COc2ccccc2)C1 ZINC000826497606 948411999 /nfs/dbraw/zinc/41/19/99/948411999.db2.gz NDLHCXQQBAULGW-CYBMUJFWSA-N -1 3 366.381 2.680 20 5 FFBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000748067994 959125554 /nfs/dbraw/zinc/12/55/54/959125554.db2.gz NCQKWPJOPKOZFW-UHFFFAOYSA-N -1 3 373.390 2.985 20 5 FFBDHM O=C1[N-]C(=O)C(=CN=c2[nH]c3ccc([N+](=O)[O-])cc3s2)c2ccccc21 ZINC000255070880 961015330 /nfs/dbraw/zinc/01/53/30/961015330.db2.gz LALSFFOYZQPQQE-WQLSENKSSA-N -1 3 366.358 2.928 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2nnc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC000177842439 969359035 /nfs/dbraw/zinc/35/90/35/969359035.db2.gz PYETVXSQDRRSBS-NSHDSACASA-N -1 3 352.350 2.631 20 5 FFBDHM CN(CCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccncc1 ZINC000910379057 981927639 /nfs/dbraw/zinc/92/76/39/981927639.db2.gz VSLRYRUSNHAHPF-UHFFFAOYSA-N -1 3 358.398 2.646 20 5 FFBDHM CCO[C@H]1C[C@@](NCc2cc(Cl)ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596838866 985511516 /nfs/dbraw/zinc/51/15/16/985511516.db2.gz PLXPPEQIJGCQFD-XJKSGUPXSA-N -1 3 356.806 2.996 20 5 FFBDHM CC[C@@H](c1ccccc1)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001137021127 997321569 /nfs/dbraw/zinc/32/15/69/997321569.db2.gz KIUALDWBMJIPFY-INIZCTEOSA-N -1 3 370.409 2.605 20 5 FFBDHM COC[C@](C)(CC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001599149809 998276274 /nfs/dbraw/zinc/27/62/74/998276274.db2.gz RIKUSOUYBSEZDY-ZDUSSCGKSA-N -1 3 350.293 2.583 20 5 FFBDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000732216773 998540292 /nfs/dbraw/zinc/54/02/92/998540292.db2.gz XPRJEEHZVYUWHC-UHFFFAOYSA-N -1 3 373.390 2.985 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C12CCC2 ZINC001187082112 1003561677 /nfs/dbraw/zinc/56/16/77/1003561677.db2.gz OSBQGHWOBUBJEI-CABCVRRESA-N -1 3 372.418 2.668 20 5 FFBDHM COC(=O)c1nc(Cl)nc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815101 1005034564 /nfs/dbraw/zinc/03/45/64/1005034564.db2.gz UQNWZICNPSYGMN-UHFFFAOYSA-N -1 3 359.125 2.927 20 5 FFBDHM COc1ccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001202425011 1005348558 /nfs/dbraw/zinc/34/85/58/1005348558.db2.gz LHCQTQJKKFVJLB-ZCFIWIBFSA-N -1 3 374.279 2.623 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000853644660 1006491693 /nfs/dbraw/zinc/49/16/93/1006491693.db2.gz VLHWSRWJUCIJAL-RYUDHWBXSA-N -1 3 364.402 2.531 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853664337 1006498698 /nfs/dbraw/zinc/49/86/98/1006498698.db2.gz LVQCFIPSPSKANR-JTQLQIEISA-N -1 3 374.344 2.752 20 5 FFBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1CNC(=O)OC(C)(C)C ZINC000853679324 1006503679 /nfs/dbraw/zinc/50/36/79/1006503679.db2.gz WQYNXOWBJCDZEM-NEPJUHHUSA-N -1 3 366.418 2.683 20 5 FFBDHM CC(C)(C)OC(=O)NCCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853716092 1006513256 /nfs/dbraw/zinc/51/32/56/1006513256.db2.gz LFUHMDZKKVKGHR-UHFFFAOYSA-N -1 3 366.418 2.827 20 5 FFBDHM COc1c([O-])ccc(CN(CC(=O)OC(C)(C)C)CC2CC2)c1[N+](=O)[O-] ZINC001206560444 1032343779 /nfs/dbraw/zinc/34/37/79/1032343779.db2.gz PWAPQLGQWPSEJZ-UHFFFAOYSA-N -1 3 366.414 2.863 20 5 FFBDHM O=c1cccc2oc3cc([O-])c(O[C@@H]4C[NH2+]CCC4(F)F)cc3c([O-])c1-2 ZINC001218447935 1033160579 /nfs/dbraw/zinc/16/05/79/1033160579.db2.gz KHLBKXCWIDCBFI-OAHLLOKOSA-N -1 3 363.316 2.733 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000779722821 1024500920 /nfs/dbraw/zinc/50/09/20/1024500920.db2.gz QUZGJGLBYVFZGI-UHFFFAOYSA-N -1 3 374.338 2.612 20 5 FFBDHM CNc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1[N+](=O)[O-] ZINC001162885110 1028697151 /nfs/dbraw/zinc/69/71/51/1028697151.db2.gz DWRSZOZMKGRHSL-UHFFFAOYSA-N -1 3 361.358 2.567 20 5 FFBDHM CNc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1[N+](=O)[O-] ZINC001162885110 1028697161 /nfs/dbraw/zinc/69/71/61/1028697161.db2.gz DWRSZOZMKGRHSL-UHFFFAOYSA-N -1 3 361.358 2.567 20 5 FFBDHM O=C([N-]c1nnc2ccc(Cl)nn21)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001115849639 1031985374 /nfs/dbraw/zinc/98/53/74/1031985374.db2.gz ZOPNQIXFXZBOIC-UHFFFAOYSA-N -1 3 358.701 2.684 20 5 FFBDHM O=c1ncc(C(F)(F)F)c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]1 ZINC001225577349 1034317664 /nfs/dbraw/zinc/31/76/64/1034317664.db2.gz VWFKJYCZCPNABR-VIFPVBQESA-N -1 3 370.287 2.767 20 5 FFBDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227693889 1035677665 /nfs/dbraw/zinc/67/76/65/1035677665.db2.gz ZKYOHPLXMYMLCC-AOOOYVTPSA-N -1 3 363.374 2.643 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCN(c4ccnc(Cl)n4)C3)[n-]c2c1 ZINC001227742541 1035709101 /nfs/dbraw/zinc/70/91/01/1035709101.db2.gz AXRGDZNCMKCSQC-SNVBAGLBSA-N -1 3 360.761 2.572 20 5 FFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCN(c4ccnc(Cl)n4)C3)nc2c1 ZINC001227742541 1035709119 /nfs/dbraw/zinc/70/91/19/1035709119.db2.gz AXRGDZNCMKCSQC-SNVBAGLBSA-N -1 3 360.761 2.572 20 5 FFBDHM CCOC(=O)[C@@H](C)[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227745870 1035712022 /nfs/dbraw/zinc/71/20/22/1035712022.db2.gz OTJURIHVGMOXEN-WRWORJQWSA-N -1 3 361.276 2.980 20 5 FFBDHM CCOC(=O)[C@@H](C)[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227745870 1035712042 /nfs/dbraw/zinc/71/20/42/1035712042.db2.gz OTJURIHVGMOXEN-WRWORJQWSA-N -1 3 361.276 2.980 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228688105 1036256404 /nfs/dbraw/zinc/25/64/04/1036256404.db2.gz DSZIHUBGANQBHQ-UEKVPHQBSA-N -1 3 365.386 2.781 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228687654 1036258148 /nfs/dbraw/zinc/25/81/48/1036258148.db2.gz ZFMUWCWWYZLCSO-MWLCHTKSSA-N -1 3 353.375 2.781 20 5 FFBDHM Cc1cc([O-])c(O[C@H]2COCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001229754076 1036873842 /nfs/dbraw/zinc/87/38/42/1036873842.db2.gz MDGGIKZVBFXQPP-MRXNPFEDSA-N -1 3 358.394 2.889 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC23CCCCC3)c(F)cc1[N+](=O)[O-] ZINC001309921374 1043590087 /nfs/dbraw/zinc/59/00/87/1043590087.db2.gz QWBPGTPAAWRLOQ-HNNXBMFYSA-N -1 3 372.418 2.812 20 5 FFBDHM CC(C)[C@@H](CO)O[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001298377525 1050427812 /nfs/dbraw/zinc/42/78/12/1050427812.db2.gz ODYHCEMKDLGYBL-MRVPVSSYSA-N -1 3 355.149 2.719 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccc([N+](=O)[O-])c4cnccc34)C2)n1 ZINC001307207960 1052267491 /nfs/dbraw/zinc/26/74/91/1052267491.db2.gz BOCGLCLPHGAZCR-LBPRGKRZSA-N -1 3 366.381 2.638 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])s1 ZINC001309402295 1052612912 /nfs/dbraw/zinc/61/29/12/1052612912.db2.gz FAVJSHMTKDLPLX-UHFFFAOYSA-N -1 3 371.396 2.660 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])[n-]n1 ZINC001456329143 1060090417 /nfs/dbraw/zinc/09/04/17/1060090417.db2.gz GOBVSGINARDUIJ-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[n-]1 ZINC001456329143 1060090435 /nfs/dbraw/zinc/09/04/35/1060090435.db2.gz GOBVSGINARDUIJ-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H](O)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC001458335788 1060568405 /nfs/dbraw/zinc/56/84/05/1060568405.db2.gz FPQWLOFRCKEQSP-LLVKDONJSA-N -1 3 354.160 2.603 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3occc3c2)c(F)c1 ZINC001475474631 1061105156 /nfs/dbraw/zinc/10/51/56/1061105156.db2.gz CPMVGIZKYXGTIP-UHFFFAOYSA-N -1 3 350.327 2.959 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCOc2ccccc2C)c([N+](=O)[O-])s1 ZINC001462894216 1061828394 /nfs/dbraw/zinc/82/83/94/1061828394.db2.gz ZRDZLESSOYTQLQ-UHFFFAOYSA-N -1 3 356.425 2.630 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC001464174085 1062463501 /nfs/dbraw/zinc/46/35/01/1062463501.db2.gz HADPZRDUBRPFOI-HOCLYGCPSA-N -1 3 372.418 2.668 20 5 FFBDHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001472241880 1064986649 /nfs/dbraw/zinc/98/66/49/1064986649.db2.gz WVDLZRCTQQWNJY-UHFFFAOYSA-N -1 3 366.333 2.927 20 5 FFBDHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001472241880 1064986665 /nfs/dbraw/zinc/98/66/65/1064986665.db2.gz WVDLZRCTQQWNJY-UHFFFAOYSA-N -1 3 366.333 2.927 20 5 FFBDHM O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1SCCc1nnn[n-]1 ZINC001472812585 1065149568 /nfs/dbraw/zinc/14/95/68/1065149568.db2.gz RONXENKBHCOBPS-UHFFFAOYSA-N -1 3 355.379 2.674 20 5 FFBDHM O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1SCCc1nn[n-]n1 ZINC001472812585 1065149570 /nfs/dbraw/zinc/14/95/70/1065149570.db2.gz RONXENKBHCOBPS-UHFFFAOYSA-N -1 3 355.379 2.674 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2F)C2CC2)nc1 ZINC001475033750 1065681214 /nfs/dbraw/zinc/68/12/14/1065681214.db2.gz VQHLIDAEHSWNHD-OAHLLOKOSA-N -1 3 369.349 2.698 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC001475055300 1065688832 /nfs/dbraw/zinc/68/88/32/1065688832.db2.gz XXMDWQWFJZINJE-ZDUSSCGKSA-N -1 3 360.407 2.526 20 5 FFBDHM CCOc1cc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001578393451 1078469261 /nfs/dbraw/zinc/46/92/61/1078469261.db2.gz UNGQNPPGQYAMBQ-UHFFFAOYSA-N -1 3 372.297 2.874 20 5 FFBDHM CCOc1cc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC001578393451 1078469263 /nfs/dbraw/zinc/46/92/63/1078469263.db2.gz UNGQNPPGQYAMBQ-UHFFFAOYSA-N -1 3 372.297 2.874 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001580612437 1078835288 /nfs/dbraw/zinc/83/52/88/1078835288.db2.gz OYHXGNXSHUAMOL-UHFFFAOYSA-N -1 3 366.381 2.630 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001580612437 1078835298 /nfs/dbraw/zinc/83/52/98/1078835298.db2.gz OYHXGNXSHUAMOL-UHFFFAOYSA-N -1 3 366.381 2.630 20 5 FFBDHM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(C)c1-c1nnn[n-]1 ZINC001580885422 1078885214 /nfs/dbraw/zinc/88/52/14/1078885214.db2.gz WXYYFDREGQOHTO-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(C)c1-c1nn[n-]n1 ZINC001580885422 1078885217 /nfs/dbraw/zinc/88/52/17/1078885217.db2.gz WXYYFDREGQOHTO-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC001580985033 1078903729 /nfs/dbraw/zinc/90/37/29/1078903729.db2.gz KDQHMJDABFEPRO-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC001580985033 1078903734 /nfs/dbraw/zinc/90/37/34/1078903734.db2.gz KDQHMJDABFEPRO-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001581044494 1078911998 /nfs/dbraw/zinc/91/19/98/1078911998.db2.gz BEYGLOSBWZUYID-UHFFFAOYSA-N -1 3 359.729 2.956 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001581044494 1078912001 /nfs/dbraw/zinc/91/20/01/1078912001.db2.gz BEYGLOSBWZUYID-UHFFFAOYSA-N -1 3 359.729 2.956 20 5 FFBDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC001581171496 1078928287 /nfs/dbraw/zinc/92/82/87/1078928287.db2.gz UNQHHIIAEMGDKA-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC001581171496 1078928290 /nfs/dbraw/zinc/92/82/90/1078928290.db2.gz UNQHHIIAEMGDKA-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC001581213917 1078939970 /nfs/dbraw/zinc/93/99/70/1078939970.db2.gz QVFQBXNEUJRWOE-UHFFFAOYSA-N -1 3 357.301 2.750 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC001581213917 1078939972 /nfs/dbraw/zinc/93/99/72/1078939972.db2.gz QVFQBXNEUJRWOE-UHFFFAOYSA-N -1 3 357.301 2.750 20 5 FFBDHM CC(C)Oc1cc(C(=O)[N-]N2Cc3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC001556161018 1075710873 /nfs/dbraw/zinc/71/08/73/1075710873.db2.gz ZMQSJHWRBXMTSV-UHFFFAOYSA-N -1 3 355.350 2.683 20 5 FFBDHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2c1=O ZINC001559000823 1076112947 /nfs/dbraw/zinc/11/29/47/1076112947.db2.gz PIWCIZPXIHTFIV-UHFFFAOYSA-N -1 3 355.354 2.522 20 5 FFBDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001561086270 1076330485 /nfs/dbraw/zinc/33/04/85/1076330485.db2.gz BMPPBIFUIKQQPK-UHFFFAOYSA-N -1 3 370.452 2.803 20 5 FFBDHM CC(C)(NCc1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001573919727 1077847592 /nfs/dbraw/zinc/84/75/92/1077847592.db2.gz IURDUMQTAZAESW-UHFFFAOYSA-N -1 3 356.361 2.939 20 5 FFBDHM COc1c([O-])ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1[N+](=O)[O-] ZINC001574177078 1077916350 /nfs/dbraw/zinc/91/63/50/1077916350.db2.gz HNBAQLWAYZMVSE-ZMLRMANQSA-N -1 3 352.387 2.534 20 5 FFBDHM C[C@@H](C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589020051 1080309307 /nfs/dbraw/zinc/30/93/07/1080309307.db2.gz BPYHQOOOSZPLHY-MRVPVSSYSA-N -1 3 373.760 2.566 20 5 FFBDHM C[C@@H](C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589020051 1080309313 /nfs/dbraw/zinc/30/93/13/1080309313.db2.gz BPYHQOOOSZPLHY-MRVPVSSYSA-N -1 3 373.760 2.566 20 5 FFBDHM CC(C)(C)OCc1cc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)no1 ZINC001589198323 1080411605 /nfs/dbraw/zinc/41/16/05/1080411605.db2.gz FLMMCVICNFCPSI-UHFFFAOYSA-N -1 3 373.373 2.690 20 5 FFBDHM CC(C)(CC(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589269992 1080455505 /nfs/dbraw/zinc/45/55/05/1080455505.db2.gz QKEIPSRVLDJTJZ-UHFFFAOYSA-N -1 3 373.291 2.797 20 5 FFBDHM CC(C)(CC(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589269992 1080455509 /nfs/dbraw/zinc/45/55/09/1080455509.db2.gz QKEIPSRVLDJTJZ-UHFFFAOYSA-N -1 3 373.291 2.797 20 5 FFBDHM CC(C)COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001589648228 1080650129 /nfs/dbraw/zinc/65/01/29/1080650129.db2.gz NNBXCFNEPBUZQA-UHFFFAOYSA-N -1 3 356.342 2.997 20 5 FFBDHM CC(C)COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001589648228 1080650135 /nfs/dbraw/zinc/65/01/35/1080650135.db2.gz NNBXCFNEPBUZQA-UHFFFAOYSA-N -1 3 356.342 2.997 20 5 FFBDHM CC(C)c1nc(CCNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cs1 ZINC001589775886 1080730267 /nfs/dbraw/zinc/73/02/67/1080730267.db2.gz UUVXNTHMNVSRRN-UHFFFAOYSA-N -1 3 374.430 2.592 20 5 FFBDHM CC(C)c1nc(CCNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cs1 ZINC001589775886 1080730274 /nfs/dbraw/zinc/73/02/74/1080730274.db2.gz UUVXNTHMNVSRRN-UHFFFAOYSA-N -1 3 374.430 2.592 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589921530 1080862275 /nfs/dbraw/zinc/86/22/75/1080862275.db2.gz BEJNSECVQVPMCR-PRDAAYKISA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589921530 1080862279 /nfs/dbraw/zinc/86/22/79/1080862279.db2.gz BEJNSECVQVPMCR-PRDAAYKISA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589945372 1080888848 /nfs/dbraw/zinc/88/88/48/1080888848.db2.gz UAQNNIWAXLCECO-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589945372 1080888850 /nfs/dbraw/zinc/88/88/50/1080888850.db2.gz UAQNNIWAXLCECO-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590052805 1080980844 /nfs/dbraw/zinc/98/08/44/1080980844.db2.gz UXPLPIQBWHKMBA-WBMJQRKESA-N -1 3 365.397 2.942 20 5 FFBDHM C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590052805 1080980848 /nfs/dbraw/zinc/98/08/48/1080980848.db2.gz UXPLPIQBWHKMBA-WBMJQRKESA-N -1 3 365.397 2.942 20 5 FFBDHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC001590104940 1081015414 /nfs/dbraw/zinc/01/54/14/1081015414.db2.gz ZOAKGEVFHADFCK-MRXNPFEDSA-N -1 3 365.397 2.753 20 5 FFBDHM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC001590104940 1081015421 /nfs/dbraw/zinc/01/54/21/1081015421.db2.gz ZOAKGEVFHADFCK-MRXNPFEDSA-N -1 3 365.397 2.753 20 5 FFBDHM CC1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)Cc2ccccc2C1 ZINC001590135573 1081041763 /nfs/dbraw/zinc/04/17/63/1081041763.db2.gz LPZLGBLVFIEPMF-UHFFFAOYSA-N -1 3 365.397 2.574 20 5 FFBDHM CC1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)Cc2ccccc2C1 ZINC001590135573 1081041768 /nfs/dbraw/zinc/04/17/68/1081041768.db2.gz LPZLGBLVFIEPMF-UHFFFAOYSA-N -1 3 365.397 2.574 20 5 FFBDHM C[C@@H]1C[C@@H](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590188460 1081077983 /nfs/dbraw/zinc/07/79/83/1081077983.db2.gz DZQBSQDBVKRFKW-JGPRNRPPSA-N -1 3 364.381 2.920 20 5 FFBDHM C[C@@H]1C[C@@H](CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590188460 1081077994 /nfs/dbraw/zinc/07/79/94/1081077994.db2.gz DZQBSQDBVKRFKW-JGPRNRPPSA-N -1 3 364.381 2.920 20 5 FFBDHM C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590215393 1081098254 /nfs/dbraw/zinc/09/82/54/1081098254.db2.gz VCZYVYMGDCQTQD-ABAIWWIYSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@@H]1C[C@@H](c2cccnc2)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590215393 1081098260 /nfs/dbraw/zinc/09/82/60/1081098260.db2.gz VCZYVYMGDCQTQD-ABAIWWIYSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC001590276144 1081135653 /nfs/dbraw/zinc/13/56/53/1081135653.db2.gz JOHUKRADWWPDRJ-JTQLQIEISA-N -1 3 371.426 2.655 20 5 FFBDHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC001590276144 1081135656 /nfs/dbraw/zinc/13/56/56/1081135656.db2.gz JOHUKRADWWPDRJ-JTQLQIEISA-N -1 3 371.426 2.655 20 5 FFBDHM C[C@](O)(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000272317918 252007925 /nfs/dbraw/zinc/00/79/25/252007925.db2.gz JJSYCPANWHYVEI-AWEZNQCLSA-N -1 3 356.350 2.772 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1CCN(C)C ZINC000275701541 256039897 /nfs/dbraw/zinc/03/98/97/256039897.db2.gz JQLOLGYZLFCKCT-UHFFFAOYSA-N -1 3 363.439 2.808 20 5 FFBDHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000330626734 258166967 /nfs/dbraw/zinc/16/69/67/258166967.db2.gz JJANCMPCHLTNRE-WCQYABFASA-N -1 3 362.835 2.730 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)c1 ZINC000370965186 512156505 /nfs/dbraw/zinc/15/65/05/512156505.db2.gz KZOHKWSKTKBGJP-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000066106384 506424049 /nfs/dbraw/zinc/42/40/49/506424049.db2.gz ZIKCBUNDTYPDGN-UHFFFAOYSA-N -1 3 355.441 2.661 20 5 FFBDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000066327458 506480605 /nfs/dbraw/zinc/48/06/05/506480605.db2.gz ONMBYLCUVJWIEK-MRVPVSSYSA-N -1 3 360.388 2.844 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)cc1[N+](=O)[O-] ZINC000409895420 512162450 /nfs/dbraw/zinc/16/24/50/512162450.db2.gz FJIXJJJHTXSAQP-UHFFFAOYSA-N -1 3 365.436 2.967 20 5 FFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(OC)c1 ZINC000066000438 506409144 /nfs/dbraw/zinc/40/91/44/506409144.db2.gz VSGZPZUEPIYZMG-VIFPVBQESA-N -1 3 372.424 2.713 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1C ZINC000055265748 506713941 /nfs/dbraw/zinc/71/39/41/506713941.db2.gz JJWIOYTZWJPKIF-ZDUSSCGKSA-N -1 3 364.423 2.821 20 5 FFBDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000011901725 506801780 /nfs/dbraw/zinc/80/17/80/506801780.db2.gz DBJXZPQKJZAVSJ-UHFFFAOYSA-N -1 3 362.407 2.614 20 5 FFBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000056068638 506923983 /nfs/dbraw/zinc/92/39/83/506923983.db2.gz JHRCGZXYINRJGG-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(OC(F)F)cc1 ZINC000020003420 507208611 /nfs/dbraw/zinc/20/86/11/507208611.db2.gz GLJTZQMDZVVHPH-UHFFFAOYSA-N -1 3 372.349 2.717 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060496260 507552763 /nfs/dbraw/zinc/55/27/63/507552763.db2.gz DHUVGYRWKCIIEI-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000026880752 507616285 /nfs/dbraw/zinc/61/62/85/507616285.db2.gz HAZOSFJPURDJSA-JTQLQIEISA-N -1 3 356.425 2.574 20 5 FFBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000107704965 507864039 /nfs/dbraw/zinc/86/40/39/507864039.db2.gz KQUFTDPMKSTVOE-UHFFFAOYSA-N -1 3 365.411 2.566 20 5 FFBDHM C[C@@H]1CN(CC2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000092586996 508084198 /nfs/dbraw/zinc/08/41/98/508084198.db2.gz KNKSHHSNXHKHEO-GASCZTMLSA-N -1 3 363.458 2.622 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000111363729 508094497 /nfs/dbraw/zinc/09/44/97/508094497.db2.gz KICVEQFPYRJSOV-JTQLQIEISA-N -1 3 355.441 2.962 20 5 FFBDHM CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075411223 508106122 /nfs/dbraw/zinc/10/61/22/508106122.db2.gz QENFLJPXCGKQLN-MRXNPFEDSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458302 508177682 /nfs/dbraw/zinc/17/76/82/508177682.db2.gz FNEQUWKKLVMAAO-UHFFFAOYSA-N -1 3 358.276 2.853 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1 ZINC000115582774 508412687 /nfs/dbraw/zinc/41/26/87/508412687.db2.gz LHIKPONUGFHFSY-CQSZACIVSA-N -1 3 361.423 2.542 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)c2nccs2)cc1C ZINC000116377186 508504697 /nfs/dbraw/zinc/50/46/97/508504697.db2.gz CRDNSBUFEAVYTB-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000153655237 508618124 /nfs/dbraw/zinc/61/81/24/508618124.db2.gz PLANQMRNZWFXHY-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000135553141 508622702 /nfs/dbraw/zinc/62/27/02/508622702.db2.gz QEJZIMAAPZXUGM-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000135553141 508622705 /nfs/dbraw/zinc/62/27/05/508622705.db2.gz QEJZIMAAPZXUGM-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000123056147 508628649 /nfs/dbraw/zinc/62/86/49/508628649.db2.gz KEVIVIIFKZWXAF-UHFFFAOYSA-N -1 3 360.388 2.591 20 5 FFBDHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])nc21 ZINC000129926326 508780392 /nfs/dbraw/zinc/78/03/92/508780392.db2.gz YCWJXLYEFIVWQG-UHFFFAOYSA-N -1 3 360.395 2.566 20 5 FFBDHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000155020884 508904810 /nfs/dbraw/zinc/90/48/10/508904810.db2.gz ICPREISFZWHOML-ZDUSSCGKSA-N -1 3 364.851 2.570 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125027665 508920232 /nfs/dbraw/zinc/92/02/32/508920232.db2.gz AMHICCAEYFAXEA-GXSJLCMTSA-N -1 3 350.487 2.917 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c(F)c1 ZINC000155410869 508995286 /nfs/dbraw/zinc/99/52/86/508995286.db2.gz KTBKTVNHSUMIFU-CQSZACIVSA-N -1 3 366.370 2.926 20 5 FFBDHM Cc1cncc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000120889127 509083615 /nfs/dbraw/zinc/08/36/15/509083615.db2.gz BMEHIZMBTZXVFG-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM C[C@@H](c1ccccc1)N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000185671616 509297589 /nfs/dbraw/zinc/29/75/89/509297589.db2.gz VHZLPOFPGHYALC-ZDUSSCGKSA-N -1 3 370.409 2.651 20 5 FFBDHM CC(C)(C)n1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000179304445 509366057 /nfs/dbraw/zinc/36/60/57/509366057.db2.gz GRJUTFPCJWOVRJ-UHFFFAOYSA-N -1 3 352.416 2.531 20 5 FFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(Br)ccc21 ZINC000185876024 509400868 /nfs/dbraw/zinc/40/08/68/509400868.db2.gz ZOFIWWYGYUVKRF-UHFFFAOYSA-N -1 3 364.155 2.661 20 5 FFBDHM Cc1cccc([O-])c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000179544711 509504371 /nfs/dbraw/zinc/50/43/71/509504371.db2.gz JKOLDOGZFJKPTE-UHFFFAOYSA-N -1 3 371.349 2.936 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)cc1 ZINC000173348727 509546149 /nfs/dbraw/zinc/54/61/49/509546149.db2.gz SPSMCXVCPDOZRD-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000179657497 509559618 /nfs/dbraw/zinc/55/96/18/509559618.db2.gz DODCKWWXCGXDOL-UHFFFAOYSA-N -1 3 358.379 2.522 20 5 FFBDHM COc1ccc([N-]C(=O)c2cc(C)nc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000186216763 509583326 /nfs/dbraw/zinc/58/33/26/509583326.db2.gz KTSWKXZDGDBUGN-UHFFFAOYSA-N -1 3 356.260 2.973 20 5 FFBDHM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189507839 509609072 /nfs/dbraw/zinc/60/90/72/509609072.db2.gz QSEKZSDXPQPUNN-UHFFFAOYSA-N -1 3 365.305 2.855 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCc1cccn1C ZINC000173606156 509671302 /nfs/dbraw/zinc/67/13/02/509671302.db2.gz OSEQQNJUPODUMN-CYBMUJFWSA-N -1 3 351.428 2.541 20 5 FFBDHM O=C([N-]O[C@@H]1CCCCO1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267950985 509685229 /nfs/dbraw/zinc/68/52/29/509685229.db2.gz QHDDTGSQUBGSMT-SNVBAGLBSA-N -1 3 363.139 2.684 20 5 FFBDHM COCc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000189838543 509779422 /nfs/dbraw/zinc/77/94/22/509779422.db2.gz BQUWKXRDTHPBOE-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000189937144 509839877 /nfs/dbraw/zinc/83/98/77/509839877.db2.gz LGAUAYIODQIEKZ-HNNXBMFYSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1[N+](=O)[O-] ZINC000190077510 509925972 /nfs/dbraw/zinc/92/59/72/509925972.db2.gz BVSJYRYVQDQCFM-OWCLPIDISA-N -1 3 358.419 2.828 20 5 FFBDHM CCO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000193543053 509957962 /nfs/dbraw/zinc/95/79/62/509957962.db2.gz YKJFJMNGCOOWCT-HNNXBMFYSA-N -1 3 350.396 2.651 20 5 FFBDHM O=c1[n-]nc(SCc2cc([N+](=O)[O-])ccc2Cl)n1C[C@@H]1CCCO1 ZINC000172023103 510504113 /nfs/dbraw/zinc/50/41/13/510504113.db2.gz YZAVLMQDZYGKLZ-NSHDSACASA-N -1 3 370.818 2.604 20 5 FFBDHM O=C(c1cccc2[n-]nnc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000188209781 510648781 /nfs/dbraw/zinc/64/87/81/510648781.db2.gz SUAROAVHSWXKCM-UHFFFAOYSA-N -1 3 367.365 2.550 20 5 FFBDHM O=C(c1cccc2nn[n-]c21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000188209781 510648787 /nfs/dbraw/zinc/64/87/87/510648787.db2.gz SUAROAVHSWXKCM-UHFFFAOYSA-N -1 3 367.365 2.550 20 5 FFBDHM O=C(c1cccc2n[n-]nc21)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000188209781 510648793 /nfs/dbraw/zinc/64/87/93/510648793.db2.gz SUAROAVHSWXKCM-UHFFFAOYSA-N -1 3 367.365 2.550 20 5 FFBDHM CC(C)CCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000195235766 510729167 /nfs/dbraw/zinc/72/91/67/510729167.db2.gz ZPQXBOHXCYJGJS-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM Cc1nc(-c2cccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)c2)n[nH]1 ZINC000364486680 510892958 /nfs/dbraw/zinc/89/29/58/510892958.db2.gz VCEDRCNIYLZXQO-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)c(C(=O)OC)s2)c1 ZINC000282716561 511084919 /nfs/dbraw/zinc/08/49/19/511084919.db2.gz VNYUELRIRMWDFZ-UHFFFAOYSA-N -1 3 365.367 2.797 20 5 FFBDHM COC[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000271421896 511199817 /nfs/dbraw/zinc/19/98/17/511199817.db2.gz RGXKSCUMSPRZOK-SECBINFHSA-N -1 3 360.413 2.761 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291575569 511253271 /nfs/dbraw/zinc/25/32/71/511253271.db2.gz OHFVZUKPTRJHKQ-GFCCVEGCSA-N -1 3 359.348 2.794 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000291944385 511401402 /nfs/dbraw/zinc/40/14/02/511401402.db2.gz NMAYPPAZICVFSV-ZUZCIYMTSA-N -1 3 368.436 2.637 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000323604772 511830929 /nfs/dbraw/zinc/83/09/29/511830929.db2.gz IZFAKPJZHOLYPV-CQSZACIVSA-N -1 3 370.409 2.646 20 5 FFBDHM O=C(NC1CCN(CCc2ccccc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377771850 512442723 /nfs/dbraw/zinc/44/27/23/512442723.db2.gz BACJNQPDGLJAFH-UHFFFAOYSA-N -1 3 369.421 2.737 20 5 FFBDHM O=C([N-]Cc1ccc(-n2ccnc2)nc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000367868000 512697019 /nfs/dbraw/zinc/69/70/19/512697019.db2.gz CZBQVOHMWWTGNJ-UHFFFAOYSA-N -1 3 373.319 2.584 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000382596360 512878078 /nfs/dbraw/zinc/87/80/78/512878078.db2.gz MKLCSJHZFALKRA-AWEZNQCLSA-N -1 3 370.409 2.789 20 5 FFBDHM CN(C[C@H]1CCN(Cc2ccccc2)C1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000383122953 512880755 /nfs/dbraw/zinc/88/07/55/512880755.db2.gz CQZRCTOYNMMPME-OAHLLOKOSA-N -1 3 370.409 2.646 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCCCCC1 ZINC000389533283 512902424 /nfs/dbraw/zinc/90/24/24/512902424.db2.gz IXWZJOQUZUBUNO-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM O=C([O-])c1ccnc(NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000390414308 512907429 /nfs/dbraw/zinc/90/74/29/512907429.db2.gz GNRJHPOWTPIKEJ-AWEZNQCLSA-N -1 3 356.382 2.765 20 5 FFBDHM CCOC(=O)c1csc(=NCCc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000450431449 513191802 /nfs/dbraw/zinc/19/18/02/513191802.db2.gz ZIECTXDQKJSVBV-UHFFFAOYSA-N -1 3 355.803 2.958 20 5 FFBDHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000447391901 513463900 /nfs/dbraw/zinc/46/39/00/513463900.db2.gz ALDWOHOIIYJMFM-UHFFFAOYSA-N -1 3 356.331 2.552 20 5 FFBDHM CCCOc1cccnc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000430651200 513712499 /nfs/dbraw/zinc/71/24/99/513712499.db2.gz VVYZAWBXYFKBIU-UHFFFAOYSA-N -1 3 367.365 2.843 20 5 FFBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC(F)(F)F ZINC000416602939 513861347 /nfs/dbraw/zinc/86/13/47/513861347.db2.gz VBDYDAQOIWHOBW-VIFPVBQESA-N -1 3 370.349 2.860 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451608098 513864855 /nfs/dbraw/zinc/86/48/55/513864855.db2.gz MIODKLIYMKXEOP-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)c3ccccc3[O-])CC2)n1 ZINC000436528759 513885374 /nfs/dbraw/zinc/88/53/74/513885374.db2.gz PFQPKNSKFLIZHK-UHFFFAOYSA-N -1 3 356.382 2.721 20 5 FFBDHM CC1(C)Cc2ccc(C(=O)NCCc3ccccc3[N+](=O)[O-])c([O-])c2O1 ZINC000436586290 513908554 /nfs/dbraw/zinc/90/85/54/513908554.db2.gz BEJLXMMLSZXLPH-UHFFFAOYSA-N -1 3 356.378 2.986 20 5 FFBDHM C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccccc1 ZINC000436752838 513966208 /nfs/dbraw/zinc/96/62/08/513966208.db2.gz YSXNXVVTANUJFX-GUYCJALGSA-N -1 3 355.394 2.693 20 5 FFBDHM O=[N+]([O-])c1cccc(-n2cc(-c3nc(-c4ccc([O-])cc4)no3)nn2)c1 ZINC000436779748 513976933 /nfs/dbraw/zinc/97/69/33/513976933.db2.gz YASWRCRXRPQBGW-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(C)(C)C ZINC000451781510 513977242 /nfs/dbraw/zinc/97/72/42/513977242.db2.gz PJLIQOOAYQBPQM-CQSZACIVSA-N -1 3 372.443 2.875 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)cc1C ZINC000451798768 513987754 /nfs/dbraw/zinc/98/77/54/513987754.db2.gz CZAKLZOLKMUKMO-CQSZACIVSA-N -1 3 368.455 2.839 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436935925 514042405 /nfs/dbraw/zinc/04/24/05/514042405.db2.gz FARJLMJWYITNLU-DYVFJYSZSA-N -1 3 355.394 2.551 20 5 FFBDHM COc1ccc(-c2ccc(CN[C@H]3C=C[C@@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000417628397 514441538 /nfs/dbraw/zinc/44/15/38/514441538.db2.gz WFPCBPYWPQYQRM-NEPJUHHUSA-N -1 3 358.350 2.982 20 5 FFBDHM Cc1ccc([O-])c(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000445704543 514507929 /nfs/dbraw/zinc/50/79/29/514507929.db2.gz JXANCMDTYKMJBM-UHFFFAOYSA-N -1 3 368.349 2.518 20 5 FFBDHM Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]1 ZINC000452895118 514539452 /nfs/dbraw/zinc/53/94/52/514539452.db2.gz YHVYMVUMWRMOHG-HNNXBMFYSA-N -1 3 370.409 2.656 20 5 FFBDHM O=C(Cc1ccc([O-])cc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461404450 514597596 /nfs/dbraw/zinc/59/75/96/514597596.db2.gz VGJMATMPIXRUSD-UHFFFAOYSA-N -1 3 362.769 2.918 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)o1 ZINC000479922985 514778794 /nfs/dbraw/zinc/77/87/94/514778794.db2.gz XORHVDHBUJKMBW-AWEZNQCLSA-N -1 3 368.411 2.861 20 5 FFBDHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)n1 ZINC000503220566 514965530 /nfs/dbraw/zinc/96/55/30/514965530.db2.gz PQZHWVPYGUAVLS-UHFFFAOYSA-N -1 3 372.472 2.830 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000462492261 515082921 /nfs/dbraw/zinc/08/29/21/515082921.db2.gz QAQRKGXCQBGUDS-DZGCQCFKSA-N -1 3 362.407 2.513 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000462499827 515089067 /nfs/dbraw/zinc/08/90/67/515089067.db2.gz GRTZKYQVYJBNSA-ZFWWWQNUSA-N -1 3 362.407 2.513 20 5 FFBDHM O=C(COc1ccc([N+](=O)[O-])cc1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467715737 515090225 /nfs/dbraw/zinc/09/02/25/515090225.db2.gz XEEYXMKDZHWLPN-UHFFFAOYSA-N -1 3 374.303 2.703 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)c1C ZINC000480992118 515164121 /nfs/dbraw/zinc/16/41/21/515164121.db2.gz VIYXJCMUGOTKBZ-GDBMZVCRSA-N -1 3 370.471 2.941 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)Oc1ccccc1F ZINC000462710432 515206651 /nfs/dbraw/zinc/20/66/51/515206651.db2.gz WIGWJYNIJXOKDJ-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000462718951 515212249 /nfs/dbraw/zinc/21/22/49/515212249.db2.gz FIZWTMKHMBLNNO-FRRDWIJNSA-N -1 3 354.428 2.851 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000490443657 515213277 /nfs/dbraw/zinc/21/32/77/515213277.db2.gz AWHHYRCQDHKMMR-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000481499097 515349561 /nfs/dbraw/zinc/34/95/61/515349561.db2.gz BOCDZZSNOOQLRS-SNVBAGLBSA-N -1 3 364.851 2.714 20 5 FFBDHM Cc1cnn(-c2ccncc2NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000504771685 515371188 /nfs/dbraw/zinc/37/11/88/515371188.db2.gz XCSIEVLRDZIGHS-UHFFFAOYSA-N -1 3 363.337 2.613 20 5 FFBDHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000486844256 515657589 /nfs/dbraw/zinc/65/75/89/515657589.db2.gz UCUCWVGVCHGYKI-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000457148799 515688186 /nfs/dbraw/zinc/68/81/86/515688186.db2.gz NROJFRSUBXQQGO-UHFFFAOYSA-N -1 3 366.175 2.537 20 5 FFBDHM O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ncccc1[O-] ZINC000473637283 515699725 /nfs/dbraw/zinc/69/97/25/515699725.db2.gz AZVBJUAYNVXPCQ-UHFFFAOYSA-N -1 3 359.385 2.572 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cc(C)c(O)c(C)c2)cc1[N+](=O)[O-] ZINC000469186235 515710348 /nfs/dbraw/zinc/71/03/48/515710348.db2.gz QYFRGSSIPUSOQW-UHFFFAOYSA-N -1 3 370.452 2.808 20 5 FFBDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC000469244676 515738752 /nfs/dbraw/zinc/73/87/52/515738752.db2.gz JJBVKGUJXATRKR-VXGBXAGGSA-N -1 3 370.427 2.629 20 5 FFBDHM COc1cc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)cc([N+](=O)[O-])c1C ZINC000464646564 515909938 /nfs/dbraw/zinc/90/99/38/515909938.db2.gz XHTMZXTUHNZIQZ-UHFFFAOYSA-N -1 3 361.745 2.860 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000478786764 515962694 /nfs/dbraw/zinc/96/26/94/515962694.db2.gz XYUVMHAVVSMSNI-AAEUAGOBSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000511940235 516085923 /nfs/dbraw/zinc/08/59/23/516085923.db2.gz IMXCZIFRWZMWRO-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000479364699 516166686 /nfs/dbraw/zinc/16/66/86/516166686.db2.gz OTSKJPKIIBDUNQ-IUODEOHRSA-N -1 3 356.444 2.775 20 5 FFBDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000524334619 516696739 /nfs/dbraw/zinc/69/67/39/516696739.db2.gz FAACPRBJSYIGQA-CQSZACIVSA-N -1 3 364.423 2.903 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)n1 ZINC000536808502 516941718 /nfs/dbraw/zinc/94/17/18/516941718.db2.gz ZLXQSMHWLBYGJY-UHFFFAOYSA-N -1 3 361.358 2.767 20 5 FFBDHM O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)n1 ZINC000514902860 517114563 /nfs/dbraw/zinc/11/45/63/517114563.db2.gz UKMGOSKDWZZNEH-UHFFFAOYSA-N -1 3 374.320 2.769 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000555944853 517198086 /nfs/dbraw/zinc/19/80/86/517198086.db2.gz HFYLYVCPAMGPIN-VIFPVBQESA-N -1 3 371.802 2.691 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000555947556 517199780 /nfs/dbraw/zinc/19/97/80/517199780.db2.gz UHZYNBIXWTZSMU-VIFPVBQESA-N -1 3 371.802 2.691 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(F)cc1C ZINC000552689248 517350503 /nfs/dbraw/zinc/35/05/03/517350503.db2.gz UDKSPUYBEOPUJQ-UHFFFAOYSA-N -1 3 363.301 2.572 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc([C@H]3C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000515707152 517452034 /nfs/dbraw/zinc/45/20/34/517452034.db2.gz KOJQFKSRRONQOI-MFKMUULPSA-N -1 3 366.395 2.798 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)c1C ZINC000538281818 517538820 /nfs/dbraw/zinc/53/88/20/517538820.db2.gz FRLBGSIRSPCCGT-ZDUSSCGKSA-N -1 3 370.471 2.679 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000546179209 517586019 /nfs/dbraw/zinc/58/60/19/517586019.db2.gz WZBUWKDDSDISFV-UHFFFAOYSA-N -1 3 352.334 2.921 20 5 FFBDHM O=C(Cn1c2ccccc2c(=O)c2ccccc21)N=c1cc2ccccn2[n-]1 ZINC000553316349 517641067 /nfs/dbraw/zinc/64/10/67/517641067.db2.gz ODLXRWZAZNMVBN-UHFFFAOYSA-N -1 3 368.396 2.863 20 5 FFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000546883122 517903949 /nfs/dbraw/zinc/90/39/49/517903949.db2.gz CQJKJKPYOWQBRJ-MRVPVSSYSA-N -1 3 356.322 2.613 20 5 FFBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc2ccccn2[n-]1 ZINC000557532220 518060463 /nfs/dbraw/zinc/06/04/63/518060463.db2.gz ZAAOULFZDCAXID-UHFFFAOYSA-N -1 3 372.406 2.655 20 5 FFBDHM O=C([O-])c1ccnc(NC[C@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000578630816 518301876 /nfs/dbraw/zinc/30/18/76/518301876.db2.gz CKTZMNDALCTYIW-OAHLLOKOSA-N -1 3 356.382 2.937 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000567739293 518685303 /nfs/dbraw/zinc/68/53/03/518685303.db2.gz IXHBSYWXYYGTRF-LRDDRELGSA-N -1 3 370.409 2.929 20 5 FFBDHM Cc1cc(NCCCN2CCCO[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576640239 518689393 /nfs/dbraw/zinc/68/93/93/518689393.db2.gz RRWVWHLBZHLZFK-CYBMUJFWSA-N -1 3 351.403 2.514 20 5 FFBDHM Cc1cc(N2CCN(C)[C@H](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582423018 518746255 /nfs/dbraw/zinc/74/62/55/518746255.db2.gz DCSCNVRGQSUHMY-QGZVFWFLSA-N -1 3 369.421 2.965 20 5 FFBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000577325495 519022758 /nfs/dbraw/zinc/02/27/58/519022758.db2.gz CGKUYHDNKFLFJC-UHFFFAOYSA-N -1 3 360.407 2.609 20 5 FFBDHM Cc1ccc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000568638431 519143020 /nfs/dbraw/zinc/14/30/20/519143020.db2.gz XVMTYVRFXZVPGC-UHFFFAOYSA-N -1 3 362.407 2.823 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000590549874 519262968 /nfs/dbraw/zinc/26/29/68/519262968.db2.gz GRISEAHXFJIGFR-UHFFFAOYSA-N -1 3 371.393 2.984 20 5 FFBDHM Cc1cc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)ccc1F ZINC000590590438 519277587 /nfs/dbraw/zinc/27/75/87/519277587.db2.gz ZWPFGQIDEDQDRT-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000569183411 519418982 /nfs/dbraw/zinc/41/89/82/519418982.db2.gz PKPFNSNWVQRHIY-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)cc1C ZINC000594475242 519986189 /nfs/dbraw/zinc/98/61/89/519986189.db2.gz UBNUMHNPXZLRFU-DOTOQJQBSA-N -1 3 368.455 2.838 20 5 FFBDHM CSCC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000594815827 520172670 /nfs/dbraw/zinc/17/26/70/520172670.db2.gz KDIXBODBYKRHQY-UHFFFAOYSA-N -1 3 350.487 2.776 20 5 FFBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603739038 520352209 /nfs/dbraw/zinc/35/22/09/520352209.db2.gz UKOMNKPKTYSEBI-UHFFFAOYSA-N -1 3 362.323 2.622 20 5 FFBDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595353719 520424462 /nfs/dbraw/zinc/42/44/62/520424462.db2.gz LMEGVQOOROUTHC-IRXDYDNUSA-N -1 3 364.423 2.631 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC000609767957 520426322 /nfs/dbraw/zinc/42/63/22/520426322.db2.gz VIBLODVKMWQRNV-UHFFFAOYSA-N -1 3 366.826 2.942 20 5 FFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1OC1CCOCC1 ZINC000610011796 520505352 /nfs/dbraw/zinc/50/53/52/520505352.db2.gz QUYYCMUYEUQWJI-UHFFFAOYSA-N -1 3 373.365 2.814 20 5 FFBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000610266093 520612817 /nfs/dbraw/zinc/61/28/17/520612817.db2.gz QEIJPYIGXZSAOQ-HONMWMINSA-N -1 3 374.846 2.730 20 5 FFBDHM O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613913638 520724432 /nfs/dbraw/zinc/72/44/32/520724432.db2.gz SCKUCTUIZXBKLF-INIZCTEOSA-N -1 3 369.421 2.942 20 5 FFBDHM O=c1[n-]ccc(NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000596165966 520946588 /nfs/dbraw/zinc/94/65/88/520946588.db2.gz NXPROEPGLGFEND-LLVKDONJSA-N -1 3 371.315 2.977 20 5 FFBDHM O=[N+]([O-])c1sccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000611030761 520954078 /nfs/dbraw/zinc/95/40/78/520954078.db2.gz LJYWGCNRCZUYHG-UHFFFAOYSA-N -1 3 367.861 2.762 20 5 FFBDHM Cc1nc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc1Cc1ccccc1 ZINC000611335022 521103744 /nfs/dbraw/zinc/10/37/44/521103744.db2.gz FWHRHCQDADDQGY-UHFFFAOYSA-N -1 3 357.395 2.936 20 5 FFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000599480484 521249538 /nfs/dbraw/zinc/24/95/38/521249538.db2.gz CYOUBLCYXAMDAC-PBKGOJFUSA-N -1 3 361.423 2.858 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)[n-]1 ZINC000619446928 521571113 /nfs/dbraw/zinc/57/11/13/521571113.db2.gz DOUUNTOPKIOMNM-UHFFFAOYSA-N -1 3 364.383 2.859 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC)c[n-]1 ZINC000619446928 521571120 /nfs/dbraw/zinc/57/11/20/521571120.db2.gz DOUUNTOPKIOMNM-UHFFFAOYSA-N -1 3 364.383 2.859 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000619500435 521599371 /nfs/dbraw/zinc/59/93/71/521599371.db2.gz WDKQJDRNBJTDPJ-QWHCGFSZSA-N -1 3 366.370 2.577 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735581123 598831922 /nfs/dbraw/zinc/83/19/22/598831922.db2.gz NZTVGUZXTMICDH-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735581123 598831924 /nfs/dbraw/zinc/83/19/24/598831924.db2.gz NZTVGUZXTMICDH-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820280611 599066379 /nfs/dbraw/zinc/06/63/79/599066379.db2.gz KOHIAQGRTIHMJE-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820280611 599066381 /nfs/dbraw/zinc/06/63/81/599066381.db2.gz KOHIAQGRTIHMJE-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820281575 599069438 /nfs/dbraw/zinc/06/94/38/599069438.db2.gz WLUIVGCPULECCA-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820281575 599069440 /nfs/dbraw/zinc/06/94/40/599069440.db2.gz WLUIVGCPULECCA-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM O=[N+]([O-])c1cc(N2CCc3[nH]c4ccccc4c3C2)ccc1-c1nnn[n-]1 ZINC000823635092 607347311 /nfs/dbraw/zinc/34/73/11/607347311.db2.gz RFPQEEIGLWHEQU-UHFFFAOYSA-N -1 3 361.365 2.819 20 5 FFBDHM Cc1nc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nc2ccccc12 ZINC000737476318 598353533 /nfs/dbraw/zinc/35/35/33/598353533.db2.gz BGMZTTBDAJDNCX-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1nc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nc2ccccc12 ZINC000737476318 598353535 /nfs/dbraw/zinc/35/35/35/598353535.db2.gz BGMZTTBDAJDNCX-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM CC(C)OCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735903567 598498944 /nfs/dbraw/zinc/49/89/44/598498944.db2.gz IKOXPWZNDUPPRL-UHFFFAOYSA-N -1 3 355.358 2.839 20 5 FFBDHM CC(C)OCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735903567 598498947 /nfs/dbraw/zinc/49/89/47/598498947.db2.gz IKOXPWZNDUPPRL-UHFFFAOYSA-N -1 3 355.358 2.839 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(NC3CCCC3)nc2)c(-c2nnn[n-]2)c1 ZINC000738374976 598501456 /nfs/dbraw/zinc/50/14/56/598501456.db2.gz VWPUZKSTARSVOU-UHFFFAOYSA-N -1 3 367.373 2.663 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(NC3CCCC3)nc2)c(-c2nn[n-]n2)c1 ZINC000738374976 598501457 /nfs/dbraw/zinc/50/14/57/598501457.db2.gz VWPUZKSTARSVOU-UHFFFAOYSA-N -1 3 367.373 2.663 20 5 FFBDHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822226498 599540828 /nfs/dbraw/zinc/54/08/28/599540828.db2.gz VLWHWICYQIPFAT-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822226498 599540830 /nfs/dbraw/zinc/54/08/30/599540830.db2.gz VLWHWICYQIPFAT-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](Cc2ccccc2)C1 ZINC000823630266 599580749 /nfs/dbraw/zinc/58/07/49/599580749.db2.gz UWKLHFGSWDBMOP-AWEZNQCLSA-N -1 3 350.382 2.844 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](Cc2ccccc2)C1 ZINC000823630266 599580751 /nfs/dbraw/zinc/58/07/51/599580751.db2.gz UWKLHFGSWDBMOP-AWEZNQCLSA-N -1 3 350.382 2.844 20 5 FFBDHM O=C([O-])N1CCC(N(Cn2ncc3ccc([N+](=O)[O-])cc32)C2CC2)CC1 ZINC000740504869 601913607 /nfs/dbraw/zinc/91/36/07/601913607.db2.gz GZSMUVUJJYCAFJ-UHFFFAOYSA-N -1 3 359.386 2.509 20 5 FFBDHM Cc1c(CN2CCC(OCCCNC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000829858769 604104380 /nfs/dbraw/zinc/10/43/80/604104380.db2.gz DJSLSBBAYKYJMQ-UHFFFAOYSA-N -1 3 351.403 2.542 20 5 FFBDHM C[C@]1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833570895 604813425 /nfs/dbraw/zinc/81/34/25/604813425.db2.gz VGDIGTLPVHQHDB-GUYCJALGSA-N -1 3 360.370 2.768 20 5 FFBDHM O=[N+]([O-])c1ccc(F)c(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823639464 606864574 /nfs/dbraw/zinc/86/45/74/606864574.db2.gz AUDCRFYRTKEXAQ-UHFFFAOYSA-N -1 3 358.333 2.795 20 5 FFBDHM O=[N+]([O-])c1ccc(F)c(NCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823639464 606864575 /nfs/dbraw/zinc/86/45/75/606864575.db2.gz AUDCRFYRTKEXAQ-UHFFFAOYSA-N -1 3 358.333 2.795 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822213050 607012231 /nfs/dbraw/zinc/01/22/31/607012231.db2.gz RZPYTBHLKYGIHM-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822213050 607012233 /nfs/dbraw/zinc/01/22/33/607012233.db2.gz RZPYTBHLKYGIHM-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000821304643 607099978 /nfs/dbraw/zinc/09/99/78/607099978.db2.gz PKVODCWJTLFLIA-UHFFFAOYSA-N -1 3 367.369 2.767 20 5 FFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820001648 607235503 /nfs/dbraw/zinc/23/55/03/607235503.db2.gz WXCMNMBELSMOFT-UHFFFAOYSA-N -1 3 368.353 2.571 20 5 FFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820001648 607235504 /nfs/dbraw/zinc/23/55/04/607235504.db2.gz WXCMNMBELSMOFT-UHFFFAOYSA-N -1 3 368.353 2.571 20 5 FFBDHM Cc1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c([N+](=O)[O-])c1 ZINC000826290186 608052320 /nfs/dbraw/zinc/05/23/20/608052320.db2.gz DWVWOIGRCZIQOY-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000826290186 608052321 /nfs/dbraw/zinc/05/23/21/608052321.db2.gz DWVWOIGRCZIQOY-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000826497497 608098797 /nfs/dbraw/zinc/09/87/97/608098797.db2.gz JFNVIKINPPNJBF-KGYLQXTDSA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000826497497 608098798 /nfs/dbraw/zinc/09/87/98/608098798.db2.gz JFNVIKINPPNJBF-KGYLQXTDSA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000826497499 608098839 /nfs/dbraw/zinc/09/88/39/608098839.db2.gz JFNVIKINPPNJBF-RTXFEEFZSA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000826497499 608098840 /nfs/dbraw/zinc/09/88/40/608098840.db2.gz JFNVIKINPPNJBF-RTXFEEFZSA-N -1 3 364.456 2.566 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCSCC1 ZINC000826450843 608163875 /nfs/dbraw/zinc/16/38/75/608163875.db2.gz GFCYVSXFAIPRSB-UHFFFAOYSA-N -1 3 368.806 2.510 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCSCC1 ZINC000826450843 608163876 /nfs/dbraw/zinc/16/38/76/608163876.db2.gz GFCYVSXFAIPRSB-UHFFFAOYSA-N -1 3 368.806 2.510 20 5 FFBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826466632 608576162 /nfs/dbraw/zinc/57/61/62/608576162.db2.gz MOIDQFNIOQTAMD-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826466632 608576163 /nfs/dbraw/zinc/57/61/63/608576163.db2.gz MOIDQFNIOQTAMD-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM CC[C@@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccn1 ZINC000825074936 609172719 /nfs/dbraw/zinc/17/27/19/609172719.db2.gz LKTYPOCOURFSAV-LLVKDONJSA-N -1 3 369.385 2.959 20 5 FFBDHM CC[C@@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccn1 ZINC000825074936 609172720 /nfs/dbraw/zinc/17/27/20/609172720.db2.gz LKTYPOCOURFSAV-LLVKDONJSA-N -1 3 369.385 2.959 20 5 FFBDHM Cc1nnc(SCc2ccc([N+](=O)[O-])cc2F)c(-c2nnn[n-]2)c1C ZINC000826337240 609306620 /nfs/dbraw/zinc/30/66/20/609306620.db2.gz IDHSYLRPMFEKPV-UHFFFAOYSA-N -1 3 361.362 2.613 20 5 FFBDHM Cc1nnc(SCc2ccc([N+](=O)[O-])cc2F)c(-c2nn[n-]n2)c1C ZINC000826337240 609306622 /nfs/dbraw/zinc/30/66/22/609306622.db2.gz IDHSYLRPMFEKPV-UHFFFAOYSA-N -1 3 361.362 2.613 20 5 FFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000126187217 728695133 /nfs/dbraw/zinc/69/51/33/728695133.db2.gz XBSPDBFXWHNKME-UHFFFAOYSA-N -1 3 352.232 2.532 20 5 FFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000126187217 728695134 /nfs/dbraw/zinc/69/51/34/728695134.db2.gz XBSPDBFXWHNKME-UHFFFAOYSA-N -1 3 352.232 2.532 20 5 FFBDHM COCc1nsc([N-]C(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 ZINC000784486969 738897453 /nfs/dbraw/zinc/89/74/53/738897453.db2.gz QJCHBTJAYMLIFV-UHFFFAOYSA-N -1 3 373.188 2.608 20 5 FFBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000910454882 737076584 /nfs/dbraw/zinc/07/65/84/737076584.db2.gz GJDRBXWVSNXUCM-JTQLQIEISA-N -1 3 361.320 2.599 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCOC2)c(F)cc1[N+](=O)[O-] ZINC000921847556 738054721 /nfs/dbraw/zinc/05/47/21/738054721.db2.gz COWTWJIBUJEZCU-MLGOLLRUSA-N -1 3 372.418 2.526 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1OC ZINC000800052066 740479192 /nfs/dbraw/zinc/47/91/92/740479192.db2.gz FHOBKNKBAISKLD-UHFFFAOYSA-N -1 3 370.358 2.860 20 5 FFBDHM COCc1cccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800052405 740479246 /nfs/dbraw/zinc/47/92/46/740479246.db2.gz VREUPQSOMKMEMC-UHFFFAOYSA-N -1 3 354.359 2.990 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(Cc2cccs2)nn1 ZINC000800143427 740491322 /nfs/dbraw/zinc/49/13/22/740491322.db2.gz CGWWJFRQGBYWLZ-UHFFFAOYSA-N -1 3 361.358 2.996 20 5 FFBDHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000800153765 740493080 /nfs/dbraw/zinc/49/30/80/740493080.db2.gz ZEALQBFEQGRBCM-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC000808342341 741216199 /nfs/dbraw/zinc/21/61/99/741216199.db2.gz LGNDONIJGPPSOB-ZUZCIYMTSA-N -1 3 370.814 2.649 20 5 FFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826466333 743387837 /nfs/dbraw/zinc/38/78/37/743387837.db2.gz XXFJMWFRHKTHSK-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826466333 743387841 /nfs/dbraw/zinc/38/78/41/743387841.db2.gz XXFJMWFRHKTHSK-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=[N+]([O-])c1ccc([C@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826498349 743389007 /nfs/dbraw/zinc/38/90/07/743389007.db2.gz QUXCRZPWGSJDBI-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc([C@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826498349 743389013 /nfs/dbraw/zinc/38/90/13/743389013.db2.gz 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CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001596811530 985364436 /nfs/dbraw/zinc/36/44/36/985364436.db2.gz VUSHGPNGLBPRKQ-HZPDHXFCSA-N -1 3 366.414 2.694 20 5 FFBDHM COc1cc(CO[N-]C(=O)CCOc2ccccc2)c([N+](=O)[O-])cc1F ZINC000766068871 989909658 /nfs/dbraw/zinc/90/96/58/989909658.db2.gz IZBHIKAQSLDKOJ-UHFFFAOYSA-N -1 3 364.329 2.759 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nncn1Cc1ccccc1 ZINC001147397636 1000888816 /nfs/dbraw/zinc/88/88/16/1000888816.db2.gz NGLQHXWBPJFKFA-UHFFFAOYSA-N -1 3 367.365 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](Sc3ccccc3)C2)nc1 ZINC001193171838 1004385144 /nfs/dbraw/zinc/38/51/44/1004385144.db2.gz LQUXDVHKAZETKH-YEORSEQZSA-N -1 3 365.436 2.591 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCC(C)(C)CO2)c([N+](=O)[O-])s1 ZINC001195472481 1004971638 /nfs/dbraw/zinc/97/16/38/1004971638.db2.gz MICAIMJWUTYOQS-LLVKDONJSA-N -1 3 362.473 2.838 20 5 FFBDHM CCOC(=O)c1noc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c1C 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/nfs/dbraw/zinc/77/19/05/1022771905.db2.gz GAGAMLITEJRCFV-UHFFFAOYSA-N -1 3 363.257 2.666 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001212936888 1027441996 /nfs/dbraw/zinc/44/19/96/1027441996.db2.gz BWCCMUUJVNUMKV-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001225664336 1034357032 /nfs/dbraw/zinc/35/70/32/1034357032.db2.gz NGRHTNFAVUGYRI-SECBINFHSA-N -1 3 370.818 2.849 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2F)c1[N+](=O)[O-] ZINC001228685230 1036255379 /nfs/dbraw/zinc/25/53/79/1036255379.db2.gz FCEWGHLEKYHVBK-JQWIXIFHSA-N -1 3 371.365 2.730 20 5 FFBDHM O=C1CCc2cc([O-])c(O[C@@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc21 ZINC001228855559 1036365201 /nfs/dbraw/zinc/36/52/01/1036365201.db2.gz MPGBRVUWEFFGQK-SFHVURJKSA-N -1 3 357.318 2.647 20 5 FFBDHM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccccc3)C2)cc1[O-] ZINC001231222176 1037502284 /nfs/dbraw/zinc/50/22/84/1037502284.db2.gz YNYUKCIOOJCSFS-CYBMUJFWSA-N -1 3 359.338 2.862 20 5 FFBDHM CC(=O)Nc1cc(Cl)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC001537567775 1070211697 /nfs/dbraw/zinc/21/16/97/1070211697.db2.gz HSJXWQSVRRFPBK-UHFFFAOYSA-N -1 3 372.168 2.846 20 5 FFBDHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc(C)n1 ZINC001253049267 1039945301 /nfs/dbraw/zinc/94/53/01/1039945301.db2.gz NKRDBXQMPFTNJX-UHFFFAOYSA-N -1 3 355.803 2.791 20 5 FFBDHM COC([O-])=NC(=S)N(c1ccccc1N)c1cc([N+](=O)[O-])cnc1C ZINC001249549003 1040860130 /nfs/dbraw/zinc/86/01/30/1040860130.db2.gz GORXGRTVAMWGBA-UHFFFAOYSA-N -1 3 361.383 2.659 20 5 FFBDHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC001309893351 1043577332 /nfs/dbraw/zinc/57/73/32/1043577332.db2.gz YPZLUVJLXARQCS-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001309918012 1043588986 /nfs/dbraw/zinc/58/89/86/1043588986.db2.gz SADBEJWTFZXVRA-WPRPVWTQSA-N -1 3 350.849 2.811 20 5 FFBDHM Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC001448619382 1058798533 /nfs/dbraw/zinc/79/85/33/1058798533.db2.gz LSJGADJVYPZEAZ-UHFFFAOYSA-N -1 3 367.365 2.809 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001451868612 1059159908 /nfs/dbraw/zinc/15/99/08/1059159908.db2.gz BWBAPZRHBULXPP-QAPCUYQASA-N -1 3 367.405 2.647 20 5 FFBDHM COc1c([O-])ccc(CN(CC(=O)OC(C)(C)C)C(C)C)c1[N+](=O)[O-] ZINC001461916287 1061449827 /nfs/dbraw/zinc/44/98/27/1061449827.db2.gz WWBDVZWYZZDLQF-UHFFFAOYSA-N -1 3 354.403 2.861 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@](C)(O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001463994536 1062372419 /nfs/dbraw/zinc/37/24/19/1062372419.db2.gz KBUJGHMUOOIHOV-NHYWBVRUSA-N -1 3 370.452 2.539 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC001464174083 1062463785 /nfs/dbraw/zinc/46/37/85/1062463785.db2.gz HADPZRDUBRPFOI-GOEBONIOSA-N -1 3 372.418 2.668 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469327255 1064128399 /nfs/dbraw/zinc/12/83/99/1064128399.db2.gz VVPLXMWIVKOIAT-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469327255 1064128401 /nfs/dbraw/zinc/12/84/01/1064128401.db2.gz VVPLXMWIVKOIAT-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472288706 1065003110 /nfs/dbraw/zinc/00/31/10/1065003110.db2.gz PXUAILDKICBKSP-HAQNSBGRSA-N -1 3 371.397 2.588 20 5 FFBDHM CCC(=O)c1ccc(N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001472877655 1065164687 /nfs/dbraw/zinc/16/46/87/1065164687.db2.gz ZSQPQSPCNHZQFB-ZDUSSCGKSA-N -1 3 371.397 2.682 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCc1ccco1 ZINC001474785240 1065606822 /nfs/dbraw/zinc/60/68/22/1065606822.db2.gz YWPSCJUHFRDJAQ-UHFFFAOYSA-N -1 3 364.301 2.728 20 5 FFBDHM CN(c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001579266347 1078605626 /nfs/dbraw/zinc/60/56/26/1078605626.db2.gz IXJHLWGRKQMHJN-AWEZNQCLSA-N -1 3 350.382 2.769 20 5 FFBDHM CN(c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC001579266347 1078605632 /nfs/dbraw/zinc/60/56/32/1078605632.db2.gz IXJHLWGRKQMHJN-AWEZNQCLSA-N -1 3 350.382 2.769 20 5 FFBDHM COC(=O)[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001579433667 1078629098 /nfs/dbraw/zinc/62/90/98/1078629098.db2.gz MBHZMAUJYAYKSZ-ZDUSSCGKSA-N -1 3 374.401 2.556 20 5 FFBDHM COC(=O)[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C1CCCCC1 ZINC001579433667 1078629103 /nfs/dbraw/zinc/62/91/03/1078629103.db2.gz MBHZMAUJYAYKSZ-ZDUSSCGKSA-N -1 3 374.401 2.556 20 5 FFBDHM Cc1c(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC001580557852 1078824646 /nfs/dbraw/zinc/82/46/46/1078824646.db2.gz NJYVWFSJEZQZEY-UHFFFAOYSA-N -1 3 370.344 2.794 20 5 FFBDHM Cc1c(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC001580557852 1078824661 /nfs/dbraw/zinc/82/46/61/1078824661.db2.gz NJYVWFSJEZQZEY-UHFFFAOYSA-N -1 3 370.344 2.794 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001581136872 1078923653 /nfs/dbraw/zinc/92/36/53/1078923653.db2.gz OVENRPUCUMMIIJ-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC001581136872 1078923659 /nfs/dbraw/zinc/92/36/59/1078923659.db2.gz OVENRPUCUMMIIJ-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM O=C(c1cc(-c2nnn[n-]2)ccc1F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001582684757 1079097466 /nfs/dbraw/zinc/09/74/66/1079097466.db2.gz ICXPAEJGKPHUIN-UHFFFAOYSA-N -1 3 368.328 2.507 20 5 FFBDHM O=C(c1cc(-c2nn[n-]n2)ccc1F)N1CCCc2c([N+](=O)[O-])cccc21 ZINC001582684757 1079097471 /nfs/dbraw/zinc/09/74/71/1079097471.db2.gz ICXPAEJGKPHUIN-UHFFFAOYSA-N -1 3 368.328 2.507 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCc1ccc(Br)o1 ZINC001582804674 1079110512 /nfs/dbraw/zinc/11/05/12/1079110512.db2.gz YEDLJZPZSOPCMR-UHFFFAOYSA-N -1 3 365.147 2.743 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCc1ccc(Br)o1 ZINC001582804674 1079110517 /nfs/dbraw/zinc/11/05/17/1079110517.db2.gz YEDLJZPZSOPCMR-UHFFFAOYSA-N -1 3 365.147 2.743 20 5 FFBDHM O=C(Nc1ccccc1Sc1ncccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001583481463 1079221671 /nfs/dbraw/zinc/22/16/71/1079221671.db2.gz RMMDYRCLDCKNGS-UHFFFAOYSA-N -1 3 369.362 2.889 20 5 FFBDHM Cc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC001559166695 1076131771 /nfs/dbraw/zinc/13/17/71/1076131771.db2.gz GZQKBQJIJPOFIP-UHFFFAOYSA-N -1 3 360.761 2.850 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccoc2)c(C(F)(F)F)c1 ZINC001561755713 1076418014 /nfs/dbraw/zinc/41/80/14/1076418014.db2.gz QXGHEPZWZJNNDH-UHFFFAOYSA-N -1 3 364.301 2.728 20 5 FFBDHM CC(C)(C)[C@H](NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589094751 1080350436 /nfs/dbraw/zinc/35/04/36/1080350436.db2.gz BRDCLMZPCLEQJD-LBPRGKRZSA-N -1 3 358.324 2.842 20 5 FFBDHM CC(C)(C)[C@H](NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589094751 1080350441 /nfs/dbraw/zinc/35/04/41/1080350441.db2.gz BRDCLMZPCLEQJD-LBPRGKRZSA-N -1 3 358.324 2.842 20 5 FFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001589257495 1080450523 /nfs/dbraw/zinc/45/05/23/1080450523.db2.gz IEIWISQHLSGHQX-UHFFFAOYSA-N -1 3 355.358 2.584 20 5 FFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001589257495 1080450525 /nfs/dbraw/zinc/45/05/25/1080450525.db2.gz IEIWISQHLSGHQX-UHFFFAOYSA-N -1 3 355.358 2.584 20 5 FFBDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001589301631 1080472203 /nfs/dbraw/zinc/47/22/03/1080472203.db2.gz NHEZPJZUWCBRNQ-UHFFFAOYSA-N -1 3 372.410 2.588 20 5 FFBDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001589301631 1080472207 /nfs/dbraw/zinc/47/22/07/1080472207.db2.gz NHEZPJZUWCBRNQ-UHFFFAOYSA-N -1 3 372.410 2.588 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945178 1080887874 /nfs/dbraw/zinc/88/78/74/1080887874.db2.gz KAHCKCHFUBQPLD-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945178 1080887882 /nfs/dbraw/zinc/88/78/82/1080887882.db2.gz KAHCKCHFUBQPLD-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001590042056 1080967499 /nfs/dbraw/zinc/96/74/99/1080967499.db2.gz HLBVETKQINVTDG-SNVBAGLBSA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001590042056 1080967503 /nfs/dbraw/zinc/96/75/03/1080967503.db2.gz HLBVETKQINVTDG-SNVBAGLBSA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590169726 1081066477 /nfs/dbraw/zinc/06/64/77/1081066477.db2.gz YDGRVWALIOJFSS-HTRCEHHLSA-N -1 3 360.271 2.691 20 5 FFBDHM C[C@@H]1[C@H](C(F)(F)F)CCN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590169726 1081066483 /nfs/dbraw/zinc/06/64/83/1081066483.db2.gz YDGRVWALIOJFSS-HTRCEHHLSA-N -1 3 360.271 2.691 20 5 FFBDHM Cc1nn(C)c(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000153174715 251110007 /nfs/dbraw/zinc/11/00/07/251110007.db2.gz YJEJRMNCRKJXKV-UHFFFAOYSA-N -1 3 358.276 2.517 20 5 FFBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)c(Br)cc1[N+](=O)[O-] ZINC000276692436 256122050 /nfs/dbraw/zinc/12/20/50/256122050.db2.gz WJHQTGJRIIIAEN-UHFFFAOYSA-N -1 3 365.187 2.724 20 5 FFBDHM CCOC(=O)c1csc([N-]C(=O)c2c(OCC)cccc2[N+](=O)[O-])n1 ZINC000279151172 256387275 /nfs/dbraw/zinc/38/72/75/256387275.db2.gz AUKPBMDVNBZTTG-UHFFFAOYSA-N -1 3 365.367 2.879 20 5 FFBDHM CCOc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000301939286 258076860 /nfs/dbraw/zinc/07/68/60/258076860.db2.gz YABAZNBNZWNLHA-UHFFFAOYSA-N -1 3 371.393 2.662 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000331105099 258177318 /nfs/dbraw/zinc/17/73/18/258177318.db2.gz QJSIGIYVLZEVNQ-CABCVRRESA-N -1 3 370.471 2.821 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)c1ccccc1 ZINC000032405813 506248534 /nfs/dbraw/zinc/24/85/34/506248534.db2.gz XFORWMZEDYQQSP-GFCCVEGCSA-N -1 3 350.396 2.685 20 5 FFBDHM CCCCS(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000052781311 506249055 /nfs/dbraw/zinc/24/90/55/506249055.db2.gz KIRYBNZFEIJKAS-CQSZACIVSA-N -1 3 372.443 2.697 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000065795245 506368447 /nfs/dbraw/zinc/36/84/47/506368447.db2.gz RIVLYPAKTOLYJG-ZIAGYGMSSA-N -1 3 366.370 2.577 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)c(F)c1 ZINC000409899648 512163718 /nfs/dbraw/zinc/16/37/18/512163718.db2.gz UEVKSRVSHGAKOD-UHFFFAOYSA-N -1 3 363.370 2.736 20 5 FFBDHM CN(CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000053671450 506426972 /nfs/dbraw/zinc/42/69/72/506426972.db2.gz BVWILSRWSPEXDN-UHFFFAOYSA-N -1 3 363.439 2.790 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1F ZINC000053671181 506426992 /nfs/dbraw/zinc/42/69/92/506426992.db2.gz YXNXTLFIKHRJES-LLVKDONJSA-N -1 3 368.386 2.652 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000054389814 506550085 /nfs/dbraw/zinc/55/00/85/506550085.db2.gz BQGMUNZBLJOPBZ-UHFFFAOYSA-N -1 3 373.481 2.665 20 5 FFBDHM COCc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000056066967 506923690 /nfs/dbraw/zinc/92/36/90/506923690.db2.gz DSBCNZQEKPUKIW-UHFFFAOYSA-N -1 3 370.814 2.873 20 5 FFBDHM COCc1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000056066960 506923837 /nfs/dbraw/zinc/92/38/37/506923837.db2.gz CSXRSSQRJSTKKX-UHFFFAOYSA-N -1 3 350.396 2.528 20 5 FFBDHM CCOc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000056071222 506925542 /nfs/dbraw/zinc/92/55/42/506925542.db2.gz ZRPMGWWPNPGXDE-UHFFFAOYSA-N -1 3 354.359 2.611 20 5 FFBDHM Cc1sc(C(=O)[N-]c2ccccc2SCC(N)=O)cc1[N+](=O)[O-] ZINC000045203246 506933936 /nfs/dbraw/zinc/93/39/36/506933936.db2.gz HVLMTZUVLUWHPM-UHFFFAOYSA-N -1 3 351.409 2.794 20 5 FFBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022463939 507294540 /nfs/dbraw/zinc/29/45/40/507294540.db2.gz PPGTYPJFULGHTM-KRWDZBQOSA-N -1 3 355.394 2.867 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000058313120 507405513 /nfs/dbraw/zinc/40/55/13/507405513.db2.gz ZXRDTECCSBFTDW-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(F)c1 ZINC000030496267 507809376 /nfs/dbraw/zinc/80/93/76/507809376.db2.gz VZQNQOXYLJBBSR-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM CC(=O)N(C)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000073362892 507916895 /nfs/dbraw/zinc/91/68/95/507916895.db2.gz ZKQOSFQYNSMMQV-UHFFFAOYSA-N -1 3 353.338 2.706 20 5 FFBDHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000073462481 507922586 /nfs/dbraw/zinc/92/25/86/507922586.db2.gz QNGOHUODRZJVCF-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073954754 507971260 /nfs/dbraw/zinc/97/12/60/507971260.db2.gz JKPSAJKATPOBCG-UHFFFAOYSA-N -1 3 369.421 2.737 20 5 FFBDHM COc1ccc([N-]C(=O)c2cn(Cc3cccs3)nn2)c([N+](=O)[O-])c1 ZINC000074234734 508000723 /nfs/dbraw/zinc/00/07/23/508000723.db2.gz WQVLCWRYORQWBF-UHFFFAOYSA-N -1 3 359.367 2.557 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000111350161 508092517 /nfs/dbraw/zinc/09/25/17/508092517.db2.gz PVUPOKAUDODQMI-ZDUSSCGKSA-N -1 3 362.407 2.612 20 5 FFBDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000102412795 508275045 /nfs/dbraw/zinc/27/50/45/508275045.db2.gz LUWNPMMGULSXSR-UHFFFAOYSA-N -1 3 373.431 2.835 20 5 FFBDHM COc1ccc(N(C)C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000127627861 508478410 /nfs/dbraw/zinc/47/84/10/508478410.db2.gz VVUOBHJQBTXPRO-UHFFFAOYSA-N -1 3 356.338 2.765 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000156825965 508483181 /nfs/dbraw/zinc/48/31/81/508483181.db2.gz DIPATRBULSPBAL-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM C[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000119188458 508744275 /nfs/dbraw/zinc/74/42/75/508744275.db2.gz ZYNNKEQWXAMUKV-BBRMVZONSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000159872807 508903970 /nfs/dbraw/zinc/90/39/70/508903970.db2.gz VQQYWSHNQDFUPP-QMMMGPOBSA-N -1 3 373.818 2.763 20 5 FFBDHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000131322861 508915264 /nfs/dbraw/zinc/91/52/64/508915264.db2.gz IQGDHTOMKAADGD-CQSZACIVSA-N -1 3 367.452 2.930 20 5 FFBDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000125113437 508932431 /nfs/dbraw/zinc/93/24/31/508932431.db2.gz PTJMGJVEEXDSJB-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000151458619 509020726 /nfs/dbraw/zinc/02/07/26/509020726.db2.gz DLJGZYHHYZTTFZ-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000132862923 509083931 /nfs/dbraw/zinc/08/39/31/509083931.db2.gz ZYIPARZATAAQQU-UHFFFAOYSA-N -1 3 373.384 2.972 20 5 FFBDHM O=C([N-]c1nc2ccccn2n1)c1ccc([N+](=O)[O-])cc1Br ZINC000133125449 509120060 /nfs/dbraw/zinc/12/00/60/509120060.db2.gz UQDHVYSRZPZDGL-UHFFFAOYSA-N -1 3 362.143 2.652 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000163415928 509374656 /nfs/dbraw/zinc/37/46/56/509374656.db2.gz SFFRVFDBCMOGHY-QMMMGPOBSA-N -1 3 370.374 2.788 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000164700686 509526630 /nfs/dbraw/zinc/52/66/30/509526630.db2.gz SOTLOCPPOYISFB-UHFFFAOYSA-N -1 3 367.452 2.591 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000189788143 509751979 /nfs/dbraw/zinc/75/19/79/509751979.db2.gz CEFBFYTYIUDQPX-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM CCc1nc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cs1 ZINC000189935153 509837905 /nfs/dbraw/zinc/83/79/05/509837905.db2.gz FNQWGBMYDOPDSP-UHFFFAOYSA-N -1 3 369.468 2.752 20 5 FFBDHM O=C(Nc1ncc(Cc2ccccc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186825224 509906015 /nfs/dbraw/zinc/90/60/15/509906015.db2.gz MAKCEAOOXLISJW-UHFFFAOYSA-N -1 3 356.363 2.995 20 5 FFBDHM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186978710 509984158 /nfs/dbraw/zinc/98/41/58/509984158.db2.gz YYZZVDJLWTXGBW-UHFFFAOYSA-N -1 3 364.308 2.826 20 5 FFBDHM Cc1cnn(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2F)c1 ZINC000193600270 509985182 /nfs/dbraw/zinc/98/51/82/509985182.db2.gz WMVVTYMKXLTFFH-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FFBDHM O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187548652 510326553 /nfs/dbraw/zinc/32/65/53/510326553.db2.gz BFMGIYDCTMWTIF-UHFFFAOYSA-N -1 3 373.756 2.846 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000266161237 510441305 /nfs/dbraw/zinc/44/13/05/510441305.db2.gz HIZMDVAPBMQINF-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM Cc1ccnc2nc(C(=O)[N-]c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)nn21 ZINC000181948614 510674268 /nfs/dbraw/zinc/67/42/68/510674268.db2.gz FJFWLILUZHIHFM-UHFFFAOYSA-N -1 3 366.259 2.612 20 5 FFBDHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000294120166 510963064 /nfs/dbraw/zinc/96/30/64/510963064.db2.gz SFDFGPKMHOUACL-UHFFFAOYSA-N -1 3 367.358 2.893 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])nc1C(C)C ZINC000270748667 510972773 /nfs/dbraw/zinc/97/27/73/510972773.db2.gz MKGRFJVXYVTQDW-UHFFFAOYSA-N -1 3 367.387 2.635 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 ZINC000282730249 511089904 /nfs/dbraw/zinc/08/99/04/511089904.db2.gz XIUDLROERRJDAM-UHFFFAOYSA-N -1 3 374.353 2.601 20 5 FFBDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000282934942 511167066 /nfs/dbraw/zinc/16/70/66/511167066.db2.gz XRACWIDVCFGHLF-UHFFFAOYSA-N -1 3 362.317 2.732 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000291944382 511401412 /nfs/dbraw/zinc/40/14/12/511401412.db2.gz NMAYPPAZICVFSV-BONVTDFDSA-N -1 3 368.436 2.637 20 5 FFBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000365810221 511662851 /nfs/dbraw/zinc/66/28/51/511662851.db2.gz ZVNAZDGTWRDSHA-UHFFFAOYSA-N -1 3 357.757 2.718 20 5 FFBDHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000327536214 511876937 /nfs/dbraw/zinc/87/69/37/511876937.db2.gz PSFIRMCKNVRXRW-GFCCVEGCSA-N -1 3 372.443 2.876 20 5 FFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]OCCC(F)(F)F)cc1SC ZINC000275094280 512039644 /nfs/dbraw/zinc/03/96/44/512039644.db2.gz RQQMPMJNCRXCRB-UHFFFAOYSA-N -1 3 354.306 2.939 20 5 FFBDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000367701309 512623162 /nfs/dbraw/zinc/62/31/62/512623162.db2.gz YYXIGCBBTAQJBV-HIFRSBDPSA-N -1 3 355.394 2.693 20 5 FFBDHM O=C([O-])c1cnc(NC[C@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000390437511 512907676 /nfs/dbraw/zinc/90/76/76/512907676.db2.gz SYRVFOFZBDMMRD-OAHLLOKOSA-N -1 3 356.382 2.765 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)CC(C)C ZINC000391093807 512913990 /nfs/dbraw/zinc/91/39/90/512913990.db2.gz QSUDPUONKXWEQB-UHFFFAOYSA-N -1 3 372.443 2.732 20 5 FFBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000368613192 513026202 /nfs/dbraw/zinc/02/62/02/513026202.db2.gz JDAUDIBSTXJAQX-OAHLLOKOSA-N -1 3 355.394 2.647 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000440674464 513379410 /nfs/dbraw/zinc/37/94/10/513379410.db2.gz OVRJHPXSDWTQEY-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000416421838 513764690 /nfs/dbraw/zinc/76/46/90/513764690.db2.gz GEAXREFQJXMJRE-VIFPVBQESA-N -1 3 370.374 2.788 20 5 FFBDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000416606273 513864667 /nfs/dbraw/zinc/86/46/67/513864667.db2.gz WYLCHDCYCCLTAN-OTYXRUKQSA-N -1 3 362.835 2.730 20 5 FFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000436526704 513885539 /nfs/dbraw/zinc/88/55/39/513885539.db2.gz RGPNGEITRRTNNL-UHFFFAOYSA-N -1 3 352.350 2.877 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000443209524 513902372 /nfs/dbraw/zinc/90/23/72/513902372.db2.gz GDRXUPFBGUGQOJ-GFCCVEGCSA-N -1 3 368.798 2.920 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c1C ZINC000443214738 513903400 /nfs/dbraw/zinc/90/34/00/513903400.db2.gz LRQPJJSOGMTSSY-AWEZNQCLSA-N -1 3 362.407 2.883 20 5 FFBDHM Cc1cnc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000436660034 513933854 /nfs/dbraw/zinc/93/38/54/513933854.db2.gz TWXTVFFKUKOCMW-UHFFFAOYSA-N -1 3 356.382 2.721 20 5 FFBDHM COc1cc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc(OC)c1[O-] ZINC000436685861 513944250 /nfs/dbraw/zinc/94/42/50/513944250.db2.gz CEAYARANYKIUNZ-UHFFFAOYSA-N -1 3 358.310 2.617 20 5 FFBDHM COc1cc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc(OC)c1[O-] ZINC000436692932 513945821 /nfs/dbraw/zinc/94/58/21/513945821.db2.gz YZVKGQIRBHRKQI-UHFFFAOYSA-N -1 3 357.322 2.958 20 5 FFBDHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000451821210 514002705 /nfs/dbraw/zinc/00/27/05/514002705.db2.gz CIYIMENABVFOJD-KRWDZBQOSA-N -1 3 364.423 2.576 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000451830946 514010596 /nfs/dbraw/zinc/01/05/96/514010596.db2.gz YZKWXGBHTRNVCZ-HIFRSBDPSA-N -1 3 356.444 2.633 20 5 FFBDHM Cc1csc(C2([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CCC2)n1 ZINC000443753096 514035830 /nfs/dbraw/zinc/03/58/30/514035830.db2.gz DXYFHVZGVBLFRX-UHFFFAOYSA-N -1 3 367.452 2.859 20 5 FFBDHM O=C(c1ccccc1[O-])N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000436948981 514046096 /nfs/dbraw/zinc/04/60/96/514046096.db2.gz QLVHATXXXLWFJP-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C1CCCC1 ZINC000451994280 514117707 /nfs/dbraw/zinc/11/77/07/514117707.db2.gz LRENVTMREKNZHC-AWEZNQCLSA-N -1 3 370.427 2.629 20 5 FFBDHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000451997703 514121676 /nfs/dbraw/zinc/12/16/76/514121676.db2.gz RNSFJDQONHVXDM-AWEZNQCLSA-N -1 3 361.423 2.844 20 5 FFBDHM COC1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000427271526 514168125 /nfs/dbraw/zinc/16/81/25/514168125.db2.gz GGYXIYUCEHHCJK-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452071908 514174556 /nfs/dbraw/zinc/17/45/56/514174556.db2.gz VNLMUGFPOTXODK-DGCLKSJQSA-N -1 3 362.835 2.874 20 5 FFBDHM Cc1csc(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)n1 ZINC000444825589 514344641 /nfs/dbraw/zinc/34/46/41/514344641.db2.gz KXOLBZURUPTXJZ-UHFFFAOYSA-N -1 3 357.395 2.743 20 5 FFBDHM CCc1ccc([C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000427919945 514345894 /nfs/dbraw/zinc/34/58/94/514345894.db2.gz CKMZYKHHGAMOCJ-SFHVURJKSA-N -1 3 357.410 2.896 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000427939562 514350661 /nfs/dbraw/zinc/35/06/61/514350661.db2.gz IYRLBLDNXIZMFL-UHFFFAOYSA-N -1 3 371.328 2.704 20 5 FFBDHM CC(C)CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000438955533 514471683 /nfs/dbraw/zinc/47/16/83/514471683.db2.gz UMJRAEZEMMMXMO-CYBMUJFWSA-N -1 3 373.450 2.523 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN(C)c2ccccc2)cc1C ZINC000497780551 514635898 /nfs/dbraw/zinc/63/58/98/514635898.db2.gz GNXIBGIIXXQDIU-UHFFFAOYSA-N -1 3 363.439 2.626 20 5 FFBDHM CO[C@H]1CCC[C@H](CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000479859185 514747461 /nfs/dbraw/zinc/74/74/61/514747461.db2.gz LVVBVPLCMOIOFH-WFASDCNBSA-N -1 3 358.398 2.941 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCOC2CCCCCC2)cc1[N+](=O)[O-] ZINC000467092384 514896589 /nfs/dbraw/zinc/89/65/89/514896589.db2.gz SRTVNCTUNMBAEH-UHFFFAOYSA-N -1 3 362.473 2.982 20 5 FFBDHM Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000489765956 514966733 /nfs/dbraw/zinc/96/67/33/514966733.db2.gz AYKVNKDSUKCVJV-UHFFFAOYSA-N -1 3 371.378 2.832 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000462325084 514997331 /nfs/dbraw/zinc/99/73/31/514997331.db2.gz GXFVALDMQFANRM-KBPBESRZSA-N -1 3 374.846 2.874 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)cc1C ZINC000480865295 515116916 /nfs/dbraw/zinc/11/69/16/515116916.db2.gz HXYKRUHCPIUDHK-KRWDZBQOSA-N -1 3 370.471 2.821 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOc2ccccc2)c1C ZINC000480936764 515141335 /nfs/dbraw/zinc/14/13/35/515141335.db2.gz OYENYXQTZPNGKR-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000503854621 515153832 /nfs/dbraw/zinc/15/38/32/515153832.db2.gz KEPXUZAEBCDTLX-CYBMUJFWSA-N -1 3 354.384 2.552 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000462666772 515178597 /nfs/dbraw/zinc/17/85/97/515178597.db2.gz NEAYHGHUHGKPKM-JTQLQIEISA-N -1 3 368.415 2.623 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)c1[N+](=O)[O-] ZINC000481063491 515193988 /nfs/dbraw/zinc/19/39/88/515193988.db2.gz XHGIJRXNAPLXCV-MRXNPFEDSA-N -1 3 358.460 2.677 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2F)c([N+](=O)[O-])c1 ZINC000462705017 515200362 /nfs/dbraw/zinc/20/03/62/515200362.db2.gz MRTOBVCCIXKTJH-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000462713045 515208680 /nfs/dbraw/zinc/20/86/80/515208680.db2.gz WVVFCZVNINIKMJ-NSHDSACASA-N -1 3 368.411 2.804 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cnc3ccccc3n2)c(C)c([N+](=O)[O-])c1 ZINC000468137573 515237298 /nfs/dbraw/zinc/23/72/98/515237298.db2.gz XUDCRJRURCFQJH-UHFFFAOYSA-N -1 3 366.333 2.885 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000481336099 515296990 /nfs/dbraw/zinc/29/69/90/515296990.db2.gz GGKGUTRYPAGJIA-WCQYABFASA-N -1 3 360.457 2.556 20 5 FFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000481349953 515299115 /nfs/dbraw/zinc/29/91/15/515299115.db2.gz PIWBVWBTDIWJSI-YPMHNXCESA-N -1 3 360.457 2.556 20 5 FFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000486263798 515407351 /nfs/dbraw/zinc/40/73/51/515407351.db2.gz YOLAONPKNLVEBV-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000486631724 515570572 /nfs/dbraw/zinc/57/05/72/515570572.db2.gz QLUFYRBWQXQNQD-JGVFFNPUSA-N -1 3 373.460 2.636 20 5 FFBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469051194 515646686 /nfs/dbraw/zinc/64/66/86/515646686.db2.gz VGCJWIROOCKMPI-FZMZJTMJSA-N -1 3 370.427 2.629 20 5 FFBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ncccc1[O-] ZINC000473638077 515698479 /nfs/dbraw/zinc/69/84/79/515698479.db2.gz XXLAYRNMDCPTHI-UHFFFAOYSA-N -1 3 353.787 2.757 20 5 FFBDHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487102864 515759115 /nfs/dbraw/zinc/75/91/15/515759115.db2.gz ULGVACFRFSTBDR-JTQLQIEISA-N -1 3 355.803 2.553 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000511359065 515876962 /nfs/dbraw/zinc/87/69/62/515876962.db2.gz HMWZACGDNGHUNE-UHFFFAOYSA-N -1 3 368.333 2.614 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)c([N+](=O)[O-])c1 ZINC000511387284 515886501 /nfs/dbraw/zinc/88/65/01/515886501.db2.gz YAVSIIZTUYQNPR-UHFFFAOYSA-N -1 3 361.423 2.698 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(c2ccccn2)CCC1 ZINC000511424918 515900566 /nfs/dbraw/zinc/90/05/66/515900566.db2.gz IXHZDEGKZRUDCU-UHFFFAOYSA-N -1 3 361.423 2.698 20 5 FFBDHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507302443 516164579 /nfs/dbraw/zinc/16/45/79/516164579.db2.gz JAUJOISYNBAPSA-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc2c(c1)COC2 ZINC000523163313 516400984 /nfs/dbraw/zinc/40/09/84/516400984.db2.gz IQIMWVYJLMSNHA-UHFFFAOYSA-N -1 3 350.334 2.689 20 5 FFBDHM C[C@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000557859857 516476897 /nfs/dbraw/zinc/47/68/97/516476897.db2.gz FLKBURJNNVEWQR-CQSZACIVSA-N -1 3 364.423 2.869 20 5 FFBDHM Cc1cc2c[nH]nc2c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000517881620 516477416 /nfs/dbraw/zinc/47/74/16/516477416.db2.gz RFEQHRKLTYDIRJ-UHFFFAOYSA-N -1 3 362.349 2.844 20 5 FFBDHM COc1cc(CN(CC(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000517966523 516507813 /nfs/dbraw/zinc/50/78/13/516507813.db2.gz XPUAUGNVNIYCGE-UHFFFAOYSA-N -1 3 374.340 2.686 20 5 FFBDHM Cc1ccccc1-c1cc(=NC(=O)CN(C)c2ccccc2[N+](=O)[O-])[nH][n-]1 ZINC000540422301 516549191 /nfs/dbraw/zinc/54/91/91/516549191.db2.gz YIBISMBFZIXEAC-UHFFFAOYSA-N -1 3 365.393 2.790 20 5 FFBDHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000540484258 516576523 /nfs/dbraw/zinc/57/65/23/516576523.db2.gz CEDJLEGVBNCNSU-BDJLRTHQSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C ZINC000544106146 516585163 /nfs/dbraw/zinc/58/51/63/516585163.db2.gz WPNUZPWJGKPDSV-ZDUSSCGKSA-N -1 3 362.473 2.659 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)cc1C ZINC000544104268 516585789 /nfs/dbraw/zinc/58/57/89/516585789.db2.gz IWGMPZYWVRCBDD-ZIAGYGMSSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000524123168 516647285 /nfs/dbraw/zinc/64/72/85/516647285.db2.gz OHIIWBOLNYTPRV-CYBMUJFWSA-N -1 3 364.423 2.994 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000536553657 516821442 /nfs/dbraw/zinc/82/14/42/516821442.db2.gz JNFWKRJXVAGGKQ-UHFFFAOYSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000544698542 516881244 /nfs/dbraw/zinc/88/12/44/516881244.db2.gz OMPCXYPYAXDUQR-UHFFFAOYSA-N -1 3 353.375 2.651 20 5 FFBDHM COc1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc1F ZINC000532338727 516922134 /nfs/dbraw/zinc/92/21/34/516922134.db2.gz GIVUVZDZNXPPGP-UHFFFAOYSA-N -1 3 366.276 2.905 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000548473724 517005788 /nfs/dbraw/zinc/00/57/88/517005788.db2.gz XRUQOUMJTMHXHO-NSHDSACASA-N -1 3 356.322 2.613 20 5 FFBDHM Cc1ccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)n[n-]2)o1 ZINC000545071076 517040477 /nfs/dbraw/zinc/04/04/77/517040477.db2.gz ZDFAQOOIOYTJFR-UHFFFAOYSA-N -1 3 352.310 2.922 20 5 FFBDHM Cc1ccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)[n-]n2)o1 ZINC000545071076 517040485 /nfs/dbraw/zinc/04/04/85/517040485.db2.gz ZDFAQOOIOYTJFR-UHFFFAOYSA-N -1 3 352.310 2.922 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000525700688 517124829 /nfs/dbraw/zinc/12/48/29/517124829.db2.gz PKPKRYDBDIGDDI-LLVKDONJSA-N -1 3 370.814 2.994 20 5 FFBDHM COc1cc(CNC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000532881108 517183139 /nfs/dbraw/zinc/18/31/39/517183139.db2.gz HPUKVPRRRPQKJP-UHFFFAOYSA-N -1 3 360.313 2.692 20 5 FFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000520155203 517283410 /nfs/dbraw/zinc/28/34/10/517283410.db2.gz WGOIFIZOSYCBSL-JTQLQIEISA-N -1 3 354.359 2.782 20 5 FFBDHM CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000520558332 517435182 /nfs/dbraw/zinc/43/51/82/517435182.db2.gz XMRJPPAICRMPIH-UHFFFAOYSA-N -1 3 369.468 2.870 20 5 FFBDHM COC(=O)[C@]1(c2ccccc2)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000550105835 517864380 /nfs/dbraw/zinc/86/43/80/517864380.db2.gz VBQVCJLDTIWHIM-LJQANCHMSA-N -1 3 356.378 2.617 20 5 FFBDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000522360080 518086947 /nfs/dbraw/zinc/08/69/47/518086947.db2.gz WAUGSURGUYBJIF-UHFFFAOYSA-N -1 3 367.358 2.802 20 5 FFBDHM CC(C)Oc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cn1 ZINC000522358491 518087691 /nfs/dbraw/zinc/08/76/91/518087691.db2.gz XBSFZCLLFXYDBI-UHFFFAOYSA-N -1 3 367.365 2.841 20 5 FFBDHM COc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[n-]1 ZINC000539815892 518167863 /nfs/dbraw/zinc/16/78/63/518167863.db2.gz XYZHSWLISOAYEY-UHFFFAOYSA-N -1 3 355.310 2.766 20 5 FFBDHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000539815892 518167864 /nfs/dbraw/zinc/16/78/64/518167864.db2.gz XYZHSWLISOAYEY-UHFFFAOYSA-N -1 3 355.310 2.766 20 5 FFBDHM COc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n[n-]1 ZINC000539815892 518167867 /nfs/dbraw/zinc/16/78/67/518167867.db2.gz XYZHSWLISOAYEY-UHFFFAOYSA-N -1 3 355.310 2.766 20 5 FFBDHM CCc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000563886653 518215414 /nfs/dbraw/zinc/21/54/14/518215414.db2.gz UJBRMMKCBZOYIG-UHFFFAOYSA-N -1 3 352.334 2.921 20 5 FFBDHM O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)n2)cc1 ZINC000575806680 518289731 /nfs/dbraw/zinc/28/97/31/518289731.db2.gz BUZHBFWVEIBVBH-UHFFFAOYSA-N -1 3 374.320 2.769 20 5 FFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000584500716 518369451 /nfs/dbraw/zinc/36/94/51/518369451.db2.gz UDORWBLFAVKZPU-MRVPVSSYSA-N -1 3 356.322 2.613 20 5 FFBDHM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000567396194 518503512 /nfs/dbraw/zinc/50/35/12/518503512.db2.gz WEHNHTBIRVGPRK-GOSISDBHSA-N -1 3 355.394 2.851 20 5 FFBDHM Cc1ccc2[n-]cc(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c(=O)c2c1 ZINC000567718676 518674975 /nfs/dbraw/zinc/67/49/75/518674975.db2.gz NDAOQTXEAGUERV-UHFFFAOYSA-N -1 3 363.373 2.943 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000567739295 518685981 /nfs/dbraw/zinc/68/59/81/518685981.db2.gz IXHBSYWXYYGTRF-WBMJQRKESA-N -1 3 370.409 2.929 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCCC2)n1 ZINC000565037455 518755486 /nfs/dbraw/zinc/75/54/86/518755486.db2.gz UJBQCAGSQXQYIX-CYBMUJFWSA-N -1 3 362.411 2.999 20 5 FFBDHM O=C([N-]c1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000577293455 519009323 /nfs/dbraw/zinc/00/93/23/519009323.db2.gz LXPNAQICDYDIPH-UHFFFAOYSA-N -1 3 366.424 2.660 20 5 FFBDHM O=C([O-])c1cnc(NC[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000580894998 519414979 /nfs/dbraw/zinc/41/49/79/519414979.db2.gz NKSXPWGMGRWXTK-MRXNPFEDSA-N -1 3 356.382 2.937 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000591304770 519580617 /nfs/dbraw/zinc/58/06/17/519580617.db2.gz OESJRSVDTJBCJG-UHFFFAOYSA-N -1 3 363.395 2.835 20 5 FFBDHM O=C([N-]c1nncn1C1CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599915509 519948380 /nfs/dbraw/zinc/94/83/80/519948380.db2.gz XFSAELQCFVYNSE-UHFFFAOYSA-N -1 3 352.148 2.536 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594486851 519996098 /nfs/dbraw/zinc/99/60/98/519996098.db2.gz JTLRIQKMUSWTPO-DZGCQCFKSA-N -1 3 356.444 2.838 20 5 FFBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616417592 520008712 /nfs/dbraw/zinc/00/87/12/520008712.db2.gz SRVOSZJJKTVVND-NSHDSACASA-N -1 3 353.400 2.856 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000594849511 520187855 /nfs/dbraw/zinc/18/78/55/520187855.db2.gz BVCBKWBTMWBBOJ-UHFFFAOYSA-N -1 3 356.425 2.590 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594854473 520190344 /nfs/dbraw/zinc/19/03/44/520190344.db2.gz LWYJAGGPOPMPFH-LBPRGKRZSA-N -1 3 373.500 2.650 20 5 FFBDHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592112820 520192906 /nfs/dbraw/zinc/19/29/06/520192906.db2.gz MDHGWEAUJPHOHT-OIBJUYFYSA-N -1 3 370.374 2.786 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccc(F)c2)c(F)c1 ZINC000609465787 520322104 /nfs/dbraw/zinc/32/21/04/520322104.db2.gz UJEHOUIIEDBUDG-UHFFFAOYSA-N -1 3 356.350 2.784 20 5 FFBDHM COc1cc(CNCc2ccc3c(c2)OC(F)(F)O3)c([N+](=O)[O-])cc1[O-] ZINC000592372531 520356541 /nfs/dbraw/zinc/35/65/41/520356541.db2.gz HOSCRHUHMPRDAR-UHFFFAOYSA-N -1 3 368.292 2.920 20 5 FFBDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1(F)F ZINC000595350761 520421842 /nfs/dbraw/zinc/42/18/42/520421842.db2.gz HVJWEAZGAVQDRF-LBPRGKRZSA-N -1 3 371.365 2.713 20 5 FFBDHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000604042177 520434669 /nfs/dbraw/zinc/43/46/69/520434669.db2.gz MKZDAKQRFOUEJE-SNVBAGLBSA-N -1 3 354.359 2.782 20 5 FFBDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000598195179 520487520 /nfs/dbraw/zinc/48/75/20/520487520.db2.gz LOTAZSAKFJXIKJ-KRWDZBQOSA-N -1 3 369.421 2.689 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2ccc([N+](=O)[O-])cc2OC)[nH][n-]1 ZINC000617422537 520490567 /nfs/dbraw/zinc/49/05/67/520490567.db2.gz NMRNNHJQKVAVPL-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM COc1cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])cc1F ZINC000595529423 520531253 /nfs/dbraw/zinc/53/12/53/520531253.db2.gz WPVNIIIYDQWSSZ-UHFFFAOYSA-N -1 3 350.350 2.571 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000610136130 520555211 /nfs/dbraw/zinc/55/52/11/520555211.db2.gz LQATUSCYIUYPGA-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CCCCn1c(=O)[n-]nc1SCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610219230 520586436 /nfs/dbraw/zinc/58/64/36/520586436.db2.gz ALHIWVRVXMTIMU-UHFFFAOYSA-N -1 3 368.415 2.872 20 5 FFBDHM Cc1ccccc1CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000613890016 520717386 /nfs/dbraw/zinc/71/73/86/520717386.db2.gz URFNYOPBNGIDOC-UHFFFAOYSA-N -1 3 369.421 2.957 20 5 FFBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598604121 520737522 /nfs/dbraw/zinc/73/75/22/520737522.db2.gz JJMRMMJKUOBLEN-GFCCVEGCSA-N -1 3 370.452 2.593 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000610956516 520919462 /nfs/dbraw/zinc/91/94/62/520919462.db2.gz GHVKWJCHFNLKBT-QMMMGPOBSA-N -1 3 363.233 2.682 20 5 FFBDHM COc1ccc(Cl)c(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596291480 521011434 /nfs/dbraw/zinc/01/14/34/521011434.db2.gz YBERVDGWDSAUHT-UHFFFAOYSA-N -1 3 364.789 2.684 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C ZINC000593627035 521118219 /nfs/dbraw/zinc/11/82/19/521118219.db2.gz LHLIBKPQMDOWSR-UONOGXRCSA-N -1 3 362.407 2.746 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000599466458 521242354 /nfs/dbraw/zinc/24/23/54/521242354.db2.gz AWZPGNXEGHNETB-IUIKQTSFSA-N -1 3 364.810 2.865 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(F)c1 ZINC000619473475 521586266 /nfs/dbraw/zinc/58/62/66/521586266.db2.gz ZKJYLIILKHAFNE-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C12CC3CC(CC(C3)C1)C2 ZINC000619472713 521586402 /nfs/dbraw/zinc/58/64/02/521586402.db2.gz FZBRWPWXNIFBDG-UHFFFAOYSA-N -1 3 366.439 2.851 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000619714744 521835204 /nfs/dbraw/zinc/83/52/04/521835204.db2.gz GNLIQWAIORRAPS-AWEZNQCLSA-N -1 3 374.846 2.876 20 5 FFBDHM CCNc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000491000492 561441397 /nfs/dbraw/zinc/44/13/97/561441397.db2.gz FFBVAYRLTBGKIR-UHFFFAOYSA-N -1 3 355.301 2.614 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000473852477 561059163 /nfs/dbraw/zinc/05/91/63/561059163.db2.gz BLFIGGVSFQDNMG-HNNXBMFYSA-N -1 3 368.353 2.607 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3c(Cl)cccc3C2)c(-c2nnn[n-]2)c1 ZINC000738371957 598854485 /nfs/dbraw/zinc/85/44/85/598854485.db2.gz ZRJMBELKISEDGQ-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3c(Cl)cccc3C2)c(-c2nn[n-]n2)c1 ZINC000738371957 598854487 /nfs/dbraw/zinc/85/44/87/598854487.db2.gz ZRJMBELKISEDGQ-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000737033128 598938785 /nfs/dbraw/zinc/93/87/85/598938785.db2.gz SKNMXFZSBLXXJF-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000737033128 598938787 /nfs/dbraw/zinc/93/87/87/598938787.db2.gz SKNMXFZSBLXXJF-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC(F)F ZINC000737362157 598944115 /nfs/dbraw/zinc/94/41/15/598944115.db2.gz OJYLGMOCMSJKNQ-UHFFFAOYSA-N -1 3 363.284 2.823 20 5 FFBDHM Cc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC(F)F ZINC000737362157 598944117 /nfs/dbraw/zinc/94/41/17/598944117.db2.gz OJYLGMOCMSJKNQ-UHFFFAOYSA-N -1 3 363.284 2.823 20 5 FFBDHM Cc1ccc(CSCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822239789 599300155 /nfs/dbraw/zinc/30/01/55/599300155.db2.gz DQQCOFWCCVCNAK-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM Cc1ccc(CSCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822239789 599300158 /nfs/dbraw/zinc/30/01/58/599300158.db2.gz DQQCOFWCCVCNAK-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM Cc1cnc(NCCSCc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822395236 599105519 /nfs/dbraw/zinc/10/55/19/599105519.db2.gz XMEVNLZYSZESAY-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM Cc1cnc(NCCSCc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822395236 599105520 /nfs/dbraw/zinc/10/55/20/599105520.db2.gz XMEVNLZYSZESAY-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM CC(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000820191923 599208327 /nfs/dbraw/zinc/20/83/27/599208327.db2.gz ATQNGTQOGJBKGN-UHFFFAOYSA-N -1 3 353.386 2.930 20 5 FFBDHM CC(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000820191923 599208330 /nfs/dbraw/zinc/20/83/30/599208330.db2.gz ATQNGTQOGJBKGN-UHFFFAOYSA-N -1 3 353.386 2.930 20 5 FFBDHM Cc1c(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822092373 599247975 /nfs/dbraw/zinc/24/79/75/599247975.db2.gz XEOUZDIZEGNHOL-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1c(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822092373 599247976 /nfs/dbraw/zinc/24/79/76/599247976.db2.gz XEOUZDIZEGNHOL-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM O=[N+]([O-])c1cc(F)ccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738361673 598364011 /nfs/dbraw/zinc/36/40/11/598364011.db2.gz XQMRTDKSFQYOMP-UHFFFAOYSA-N -1 3 359.317 2.762 20 5 FFBDHM CCN(C)c1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736511305 598389700 /nfs/dbraw/zinc/38/97/00/598389700.db2.gz FYGVGSZCMIAEMD-UHFFFAOYSA-N -1 3 353.386 2.843 20 5 FFBDHM CCN(C)c1ccccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736511305 598389701 /nfs/dbraw/zinc/38/97/01/598389701.db2.gz FYGVGSZCMIAEMD-UHFFFAOYSA-N -1 3 353.386 2.843 20 5 FFBDHM CCCOc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000736491687 598468542 /nfs/dbraw/zinc/46/85/42/598468542.db2.gz WZCNIYDBTJDOAG-UHFFFAOYSA-N -1 3 355.358 2.571 20 5 FFBDHM CCCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000736491687 598468543 /nfs/dbraw/zinc/46/85/43/598468543.db2.gz WZCNIYDBTJDOAG-UHFFFAOYSA-N -1 3 355.358 2.571 20 5 FFBDHM Cc1cc([N+](=O)[O-])cnc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737284860 598497893 /nfs/dbraw/zinc/49/78/93/598497893.db2.gz NVVKKFPTNRGKAA-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM Cc1cc([N+](=O)[O-])cnc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737284860 598497894 /nfs/dbraw/zinc/49/78/94/598497894.db2.gz NVVKKFPTNRGKAA-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737947934 598599544 /nfs/dbraw/zinc/59/95/44/598599544.db2.gz TYOGZFFBGSBVGY-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737947934 598599546 /nfs/dbraw/zinc/59/95/46/598599546.db2.gz TYOGZFFBGSBVGY-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738165340 598599917 /nfs/dbraw/zinc/59/99/17/598599917.db2.gz CGMYVYMJCXQYST-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738165340 598599919 /nfs/dbraw/zinc/59/99/19/598599919.db2.gz CGMYVYMJCXQYST-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM Cc1sc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737562219 598706938 /nfs/dbraw/zinc/70/69/38/598706938.db2.gz LLPPZDJUGJFTQN-UHFFFAOYSA-N -1 3 363.330 2.641 20 5 FFBDHM Cc1sc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737562219 598706939 /nfs/dbraw/zinc/70/69/39/598706939.db2.gz LLPPZDJUGJFTQN-UHFFFAOYSA-N -1 3 363.330 2.641 20 5 FFBDHM CN(CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821604673 599327666 /nfs/dbraw/zinc/32/76/66/599327666.db2.gz ABUATOPIYHIMNZ-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM CN(CCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821604673 599327668 /nfs/dbraw/zinc/32/76/68/599327668.db2.gz ABUATOPIYHIMNZ-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NC3CCSCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645964 599512914 /nfs/dbraw/zinc/51/29/14/599512914.db2.gz YHKDGAKERJLTMM-UHFFFAOYSA-N -1 3 357.399 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NC3CCSCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645964 599512916 /nfs/dbraw/zinc/51/29/16/599512916.db2.gz YHKDGAKERJLTMM-UHFFFAOYSA-N -1 3 357.399 2.631 20 5 FFBDHM Cc1cccc2c(CCNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c[nH]c21 ZINC000822331295 599580084 /nfs/dbraw/zinc/58/00/84/599580084.db2.gz CDAIHZKTMVERFN-UHFFFAOYSA-N -1 3 364.369 2.614 20 5 FFBDHM Cc1cccc2c(CCNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c[nH]c21 ZINC000822331295 599580085 /nfs/dbraw/zinc/58/00/85/599580085.db2.gz CDAIHZKTMVERFN-UHFFFAOYSA-N -1 3 364.369 2.614 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821882649 599586103 /nfs/dbraw/zinc/58/61/03/599586103.db2.gz GTIXHRZASWQIBZ-AEFFLSMTSA-N -1 3 366.381 2.926 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821882649 599586105 /nfs/dbraw/zinc/58/61/05/599586105.db2.gz GTIXHRZASWQIBZ-AEFFLSMTSA-N -1 3 366.381 2.926 20 5 FFBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000823413202 599695439 /nfs/dbraw/zinc/69/54/39/599695439.db2.gz CFWZFHWGLPOETC-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000823413202 599695440 /nfs/dbraw/zinc/69/54/40/599695440.db2.gz CFWZFHWGLPOETC-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000826498542 607465676 /nfs/dbraw/zinc/46/56/76/607465676.db2.gz ZXKNIDRGFYVUCC-UHFFFAOYSA-N -1 3 350.260 2.804 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000826498542 607465677 /nfs/dbraw/zinc/46/56/77/607465677.db2.gz ZXKNIDRGFYVUCC-UHFFFAOYSA-N -1 3 350.260 2.804 20 5 FFBDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834103149 605818943 /nfs/dbraw/zinc/81/89/43/605818943.db2.gz AAFNIYLQKORALE-BBWFWOEESA-N -1 3 363.414 2.625 20 5 FFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000823112455 606145551 /nfs/dbraw/zinc/14/55/51/606145551.db2.gz ZZEPWFMQEQXASR-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000823112455 606145552 /nfs/dbraw/zinc/14/55/52/606145552.db2.gz ZZEPWFMQEQXASR-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM CN(Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821617007 606164101 /nfs/dbraw/zinc/16/41/01/606164101.db2.gz RYHGEDCFXOCENU-UHFFFAOYSA-N -1 3 371.426 2.747 20 5 FFBDHM CN(Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821617007 606164102 /nfs/dbraw/zinc/16/41/02/606164102.db2.gz RYHGEDCFXOCENU-UHFFFAOYSA-N -1 3 371.426 2.747 20 5 FFBDHM CCN(C[C@@H](O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821170457 606241139 /nfs/dbraw/zinc/24/11/39/606241139.db2.gz QXFPCJCMOUWZST-QGZVFWFLSA-N -1 3 368.397 2.643 20 5 FFBDHM CCN(C[C@@H](O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821170457 606241140 /nfs/dbraw/zinc/24/11/40/606241140.db2.gz QXFPCJCMOUWZST-QGZVFWFLSA-N -1 3 368.397 2.643 20 5 FFBDHM CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821572163 606414742 /nfs/dbraw/zinc/41/47/42/606414742.db2.gz TYJZECBJIGVBJB-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM CN(C(=O)Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821572163 606414744 /nfs/dbraw/zinc/41/47/44/606414744.db2.gz TYJZECBJIGVBJB-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM Cc1nc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000822444258 606457511 /nfs/dbraw/zinc/45/75/11/606457511.db2.gz JCNXGBGFTZRIJZ-UHFFFAOYSA-N -1 3 368.382 2.700 20 5 FFBDHM Cc1nc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000822444258 606457512 /nfs/dbraw/zinc/45/75/12/606457512.db2.gz JCNXGBGFTZRIJZ-UHFFFAOYSA-N -1 3 368.382 2.700 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC000822229534 606542845 /nfs/dbraw/zinc/54/28/45/606542845.db2.gz WOQCJZQZXJNIBN-VIFPVBQESA-N -1 3 358.383 2.636 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000822229534 606542847 /nfs/dbraw/zinc/54/28/47/606542847.db2.gz WOQCJZQZXJNIBN-VIFPVBQESA-N -1 3 358.383 2.636 20 5 FFBDHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820384293 606671488 /nfs/dbraw/zinc/67/14/88/606671488.db2.gz ASHSIMBEHOTXCS-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820384293 606671489 /nfs/dbraw/zinc/67/14/89/606671489.db2.gz ASHSIMBEHOTXCS-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000821465156 606674442 /nfs/dbraw/zinc/67/44/42/606674442.db2.gz CNWMUZOSLDPKLQ-UHFFFAOYSA-N -1 3 372.410 2.970 20 5 FFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000821465156 606674443 /nfs/dbraw/zinc/67/44/43/606674443.db2.gz CNWMUZOSLDPKLQ-UHFFFAOYSA-N -1 3 372.410 2.970 20 5 FFBDHM Cc1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826292031 607863589 /nfs/dbraw/zinc/86/35/89/607863589.db2.gz FXPSERAXWNHEBQ-UHFFFAOYSA-N -1 3 355.354 2.931 20 5 FFBDHM Cc1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826292031 607863590 /nfs/dbraw/zinc/86/35/90/607863590.db2.gz FXPSERAXWNHEBQ-UHFFFAOYSA-N -1 3 355.354 2.931 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826498392 607875968 /nfs/dbraw/zinc/87/59/68/607875968.db2.gz SKCZDBGSTCHFHG-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826498392 607875969 /nfs/dbraw/zinc/87/59/69/607875969.db2.gz SKCZDBGSTCHFHG-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc[nH]1 ZINC000824648601 608016767 /nfs/dbraw/zinc/01/67/67/608016767.db2.gz HDGQUFOYTWZXEG-VIFPVBQESA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc[nH]1 ZINC000824648601 608016768 /nfs/dbraw/zinc/01/67/68/608016768.db2.gz HDGQUFOYTWZXEG-VIFPVBQESA-N -1 3 350.342 2.824 20 5 FFBDHM Cc1cncc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000826319414 608017213 /nfs/dbraw/zinc/01/72/13/608017213.db2.gz BPTGFLGYNIMHEU-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1cncc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000826319414 608017214 /nfs/dbraw/zinc/01/72/14/608017214.db2.gz BPTGFLGYNIMHEU-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824658521 608415820 /nfs/dbraw/zinc/41/58/20/608415820.db2.gz XPLPTEIMPCCSSY-VIFPVBQESA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824658521 608415821 /nfs/dbraw/zinc/41/58/21/608415821.db2.gz XPLPTEIMPCCSSY-VIFPVBQESA-N -1 3 355.314 2.856 20 5 FFBDHM COc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(F)cc1[N+](=O)[O-] ZINC000826180832 608546478 /nfs/dbraw/zinc/54/64/78/608546478.db2.gz YRKIVTSYDPXUBX-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM COc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(F)cc1[N+](=O)[O-] ZINC000826180832 608546479 /nfs/dbraw/zinc/54/64/79/608546479.db2.gz YRKIVTSYDPXUBX-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(c3cccnc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498806 608554217 /nfs/dbraw/zinc/55/42/17/608554217.db2.gz KJYCTQIYMIDQGD-UHFFFAOYSA-N -1 3 351.370 2.554 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(c3cccnc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498806 608554218 /nfs/dbraw/zinc/55/42/18/608554218.db2.gz KJYCTQIYMIDQGD-UHFFFAOYSA-N -1 3 351.370 2.554 20 5 FFBDHM O=C(Nc1sccc1-c1nnn[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826460732 609305518 /nfs/dbraw/zinc/30/55/18/609305518.db2.gz PVMPWBXPXUZIPS-UHFFFAOYSA-N -1 3 366.309 2.567 20 5 FFBDHM O=C(Nc1sccc1-c1nn[n-]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826460732 609305519 /nfs/dbraw/zinc/30/55/19/609305519.db2.gz PVMPWBXPXUZIPS-UHFFFAOYSA-N -1 3 366.309 2.567 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000826465931 609342277 /nfs/dbraw/zinc/34/22/77/609342277.db2.gz IVPWXAPTKFCYRX-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000826465931 609342278 /nfs/dbraw/zinc/34/22/78/609342278.db2.gz IVPWXAPTKFCYRX-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C12CCC(CC1)C2 ZINC000826450226 609511101 /nfs/dbraw/zinc/51/11/01/609511101.db2.gz BTEZDFCVMZPVQX-UHFFFAOYSA-N -1 3 362.777 2.947 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C12CCC(CC1)C2 ZINC000826450226 609511102 /nfs/dbraw/zinc/51/11/02/609511102.db2.gz BTEZDFCVMZPVQX-UHFFFAOYSA-N -1 3 362.777 2.947 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCc2cc(F)c(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000826498660 609572119 /nfs/dbraw/zinc/57/21/19/609572119.db2.gz DQBSTAZXQWLYIG-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCc2cc(F)c(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000826498660 609572122 /nfs/dbraw/zinc/57/21/22/609572122.db2.gz DQBSTAZXQWLYIG-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824907982 609576258 /nfs/dbraw/zinc/57/62/58/609576258.db2.gz LVKAPOBAHQZVBN-IUCAKERBSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824907982 609576260 /nfs/dbraw/zinc/57/62/60/609576260.db2.gz LVKAPOBAHQZVBN-IUCAKERBSA-N -1 3 356.308 2.942 20 5 FFBDHM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119471604 728595113 /nfs/dbraw/zinc/59/51/13/728595113.db2.gz ZUQCDNCFRRNXFF-AWEZNQCLSA-N -1 3 370.814 2.569 20 5 FFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000125485212 728684127 /nfs/dbraw/zinc/68/41/27/728684127.db2.gz GYZMPHHBSUPWGH-UHFFFAOYSA-N -1 3 363.182 2.602 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSC(F)(F)F)c1C ZINC000178300002 729158823 /nfs/dbraw/zinc/15/88/23/729158823.db2.gz MIMGOVKSPACAPM-UHFFFAOYSA-N -1 3 358.363 2.743 20 5 FFBDHM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1 ZINC000732537674 734746803 /nfs/dbraw/zinc/74/68/03/734746803.db2.gz SQVXDQFDFZAMLZ-UHFFFAOYSA-N -1 3 370.333 2.919 20 5 FFBDHM Cc1nc(C)c(CC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000734891048 734920676 /nfs/dbraw/zinc/92/06/76/734920676.db2.gz JNZQNKGRPVMJBN-UHFFFAOYSA-N -1 3 351.746 2.647 20 5 FFBDHM O=C(COC(=O)c1cccc(Cl)c1[O-])Nc1ccccc1[N+](=O)[O-] ZINC000775935213 738144664 /nfs/dbraw/zinc/14/46/64/738144664.db2.gz IZGQYIWZVRPPAU-UHFFFAOYSA-N -1 3 350.714 2.749 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccnc(F)c2F)c(C)c([N+](=O)[O-])c1 ZINC000791746101 739598499 /nfs/dbraw/zinc/59/84/99/739598499.db2.gz XWTIVQQDWISHLF-UHFFFAOYSA-N -1 3 351.265 2.615 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848510493 748946273 /nfs/dbraw/zinc/94/62/73/748946273.db2.gz TXEPIJRAFUUAEN-OLZOCXBDSA-N -1 3 373.862 2.543 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc([N+](=O)[O-])cc1F ZINC000822936713 946222546 /nfs/dbraw/zinc/22/25/46/946222546.db2.gz XBOLSJSCJDMFMC-SOFGYWHQSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc([N+](=O)[O-])cc1F ZINC000822936713 946222553 /nfs/dbraw/zinc/22/25/53/946222553.db2.gz XBOLSJSCJDMFMC-SOFGYWHQSA-N -1 3 369.312 2.671 20 5 FFBDHM C[C@@H]1COc2ccccc2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825012187 947043522 /nfs/dbraw/zinc/04/35/22/947043522.db2.gz DVVFFTGDHQSTCH-LLVKDONJSA-N -1 3 352.354 2.562 20 5 FFBDHM C[C@@H]1COc2ccccc2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825012187 947043533 /nfs/dbraw/zinc/04/35/33/947043533.db2.gz DVVFFTGDHQSTCH-LLVKDONJSA-N -1 3 352.354 2.562 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001525059133 948537334 /nfs/dbraw/zinc/53/73/34/948537334.db2.gz CIXROLLXNZWEIE-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001525059133 948537343 /nfs/dbraw/zinc/53/73/43/948537343.db2.gz CIXROLLXNZWEIE-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM CC(C)(C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787769 949187415 /nfs/dbraw/zinc/18/74/15/949187415.db2.gz AHAQSSSLRATKBG-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM CC(C)(C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787769 949187425 /nfs/dbraw/zinc/18/74/25/949187425.db2.gz AHAQSSSLRATKBG-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000109625058 980663547 /nfs/dbraw/zinc/66/35/47/980663547.db2.gz KKYHTUQMQPFDLU-UHFFFAOYSA-N -1 3 372.272 2.680 20 5 FFBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1nnc2ccccc2c1[O-] ZINC000804178315 990618042 /nfs/dbraw/zinc/61/80/42/990618042.db2.gz IKYQULTYPBKEFO-UHFFFAOYSA-N -1 3 352.350 2.558 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)cc1F ZINC001185413706 1002949199 /nfs/dbraw/zinc/94/91/99/1002949199.db2.gz WXTVBQKSQXCUBX-QWHCGFSZSA-N -1 3 373.450 2.584 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCC3(CCC3)O2)c([N+](=O)[O-])s1 ZINC001195225103 1004919768 /nfs/dbraw/zinc/91/97/68/1004919768.db2.gz PVQWURWOHCPTEV-NSHDSACASA-N -1 3 360.457 2.735 20 5 FFBDHM CS(=O)(=O)c1cccc2cc(Nc3cc([O-])cc([N+](=O)[O-])c3)cnc21 ZINC001199828505 1005043690 /nfs/dbraw/zinc/04/36/90/1005043690.db2.gz KPCWJZXKYZMTTQ-UHFFFAOYSA-N -1 3 359.363 2.996 20 5 FFBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc([N+](=O)[O-])c3)nc21 ZINC001134753473 1006473533 /nfs/dbraw/zinc/47/35/33/1006473533.db2.gz NPQAEFKDPAINHM-UHFFFAOYSA-N -1 3 368.349 2.829 20 5 FFBDHM CN(C[C@@H](O)c1ccccc1Br)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001163507356 1028953812 /nfs/dbraw/zinc/95/38/12/1028953812.db2.gz DLYMSAMMPFAADO-GFCCVEGCSA-N -1 3 368.187 2.628 20 5 FFBDHM COc1ccccc1CO[N-]C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000799097284 1031649515 /nfs/dbraw/zinc/64/95/15/1031649515.db2.gz LLKFMXSJPBWPFS-UHFFFAOYSA-N -1 3 369.333 2.719 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@H](F)C1 ZINC001225660843 1034355960 /nfs/dbraw/zinc/35/59/60/1034355960.db2.gz HJUWWURBNNJNEV-PWSUYJOCSA-N -1 3 371.365 2.812 20 5 FFBDHM COC(=O)[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1Cl ZINC001227692098 1035675888 /nfs/dbraw/zinc/67/58/88/1035675888.db2.gz UAGOUJKXWXGMBG-CYBMUJFWSA-N -1 3 362.729 2.813 20 5 FFBDHM Cc1cc2[n-]c(O[C@H]3CC(=O)N(Cc4ccccc4)C3)nc2cc1[N+](=O)[O-] ZINC001228672748 1036247701 /nfs/dbraw/zinc/24/77/01/1036247701.db2.gz AIPZQMHRCFAUAF-AWEZNQCLSA-N -1 3 366.377 2.959 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228684912 1036255208 /nfs/dbraw/zinc/25/52/08/1036255208.db2.gz BEMTZWVKWHDQNP-JTQLQIEISA-N -1 3 353.375 2.638 20 5 FFBDHM CC(=O)c1cc(C(C)C)c([O-])cc1O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC001228959260 1036434016 /nfs/dbraw/zinc/43/40/16/1036434016.db2.gz WUJROOGNAGIWBC-NSHDSACASA-N -1 3 361.354 2.663 20 5 FFBDHM COc1cccc2nc(=O)[n-]c(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c21 ZINC001229240097 1036572063 /nfs/dbraw/zinc/57/20/63/1036572063.db2.gz SZZGZFKNRCLDDL-ZDUSSCGKSA-N -1 3 353.334 2.798 20 5 FFBDHM C[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC001536630189 1070024402 /nfs/dbraw/zinc/02/44/02/1070024402.db2.gz PGZCIBANYCSKGL-LBPRGKRZSA-N -1 3 351.362 2.970 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)c([N+](=O)[O-])s1 ZINC001209900561 1039283009 /nfs/dbraw/zinc/28/30/09/1039283009.db2.gz QMVNTMILYRULQE-CYBMUJFWSA-N -1 3 370.452 2.757 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001210631835 1039643961 /nfs/dbraw/zinc/64/39/61/1039643961.db2.gz KQAGLMLOASHEIQ-VHSXEESVSA-N -1 3 350.487 2.917 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3nccnc3c2)no1 ZINC001248001164 1040095875 /nfs/dbraw/zinc/09/58/75/1040095875.db2.gz ZTDOZRKXWMFYPW-UHFFFAOYSA-N -1 3 362.305 2.840 20 5 FFBDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001538292918 1070398169 /nfs/dbraw/zinc/39/81/69/1070398169.db2.gz WDDMRCYXSAGMRA-UHFFFAOYSA-N -1 3 356.342 2.848 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2noc3ccccc23)c(F)cc1[N+](=O)[O-] ZINC001309841015 1043549320 /nfs/dbraw/zinc/54/93/20/1043549320.db2.gz UVECYPAPRQCMKV-UHFFFAOYSA-N -1 3 365.342 2.662 20 5 FFBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n(-c2ccc(F)cc2C)n1 ZINC001289292084 1047619056 /nfs/dbraw/zinc/61/90/56/1047619056.db2.gz DDFNVWPMMVJHRL-UHFFFAOYSA-N -1 3 361.358 2.667 20 5 FFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc([N+](=O)[O-])cc1F ZINC001332293133 1048336283 /nfs/dbraw/zinc/33/62/83/1048336283.db2.gz XREAEAYRXSIAOB-UHFFFAOYSA-N -1 3 357.338 2.857 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])s1 ZINC001309175956 1052567890 /nfs/dbraw/zinc/56/78/90/1052567890.db2.gz NVLPCLXPTAUXMF-NSHDSACASA-N -1 3 368.436 2.809 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c([N+](=O)[O-])s1 ZINC001309330879 1052600058 /nfs/dbraw/zinc/60/00/58/1052600058.db2.gz YXKNAXITCFSQKS-VHDGCEQUSA-N -1 3 364.448 2.971 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])s1 ZINC001309381710 1052609296 /nfs/dbraw/zinc/60/92/96/1052609296.db2.gz OWWYWUNABTVCOD-RYUDHWBXSA-N -1 3 362.473 2.835 20 5 FFBDHM CSc1nccnc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001352540366 1055576292 /nfs/dbraw/zinc/57/62/92/1055576292.db2.gz DPBRKZZGSNNHBG-UHFFFAOYSA-N -1 3 362.367 2.520 20 5 FFBDHM O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001300195779 1056072897 /nfs/dbraw/zinc/07/28/97/1056072897.db2.gz RZWZCBHJFMYQHA-SSDOTTSWSA-N -1 3 371.180 2.960 20 5 FFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(C(F)F)ncn1 ZINC001353842154 1058282291 /nfs/dbraw/zinc/28/22/91/1058282291.db2.gz KUVKYSCGTRTLRE-UHFFFAOYSA-N -1 3 366.280 2.736 20 5 FFBDHM O=C(Cc1ccc([O-])c(F)c1)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001455677109 1059862808 /nfs/dbraw/zinc/86/28/08/1059862808.db2.gz IRPOEDKGTNVBDZ-UHFFFAOYSA-N -1 3 372.356 2.607 20 5 FFBDHM CCc1noc(CC)c1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586022 1060313548 /nfs/dbraw/zinc/31/35/48/1060313548.db2.gz VPWBMNJPBHGFCO-UHFFFAOYSA-N -1 3 369.324 2.996 20 5 FFBDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])s1 ZINC001475181108 1060983564 /nfs/dbraw/zinc/98/35/64/1060983564.db2.gz PVNXZDHUBIHDSP-ZETCQYMHSA-N -1 3 361.470 2.812 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001436647523 1062759843 /nfs/dbraw/zinc/75/98/43/1062759843.db2.gz CDQNFKXCIUCXLD-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001436647523 1062759865 /nfs/dbraw/zinc/75/98/65/1062759865.db2.gz CDQNFKXCIUCXLD-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM C[C@@]1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC001575792959 1078168763 /nfs/dbraw/zinc/16/87/63/1078168763.db2.gz OJWMKWVQNNOSOR-ZBFHGGJFSA-N -1 3 362.365 2.531 20 5 FFBDHM C[C@@]1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC001575792959 1078168768 /nfs/dbraw/zinc/16/87/68/1078168768.db2.gz OJWMKWVQNNOSOR-ZBFHGGJFSA-N -1 3 362.365 2.531 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c([N+](=O)[O-])s1 ZINC001474967366 1065658695 /nfs/dbraw/zinc/65/86/95/1065658695.db2.gz LOCZDKKUKSDAIT-LBPRGKRZSA-N -1 3 352.437 2.973 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001579431303 1078628260 /nfs/dbraw/zinc/62/82/60/1078628260.db2.gz KQHRDHFBAUTVKF-UHFFFAOYSA-N -1 3 371.332 2.516 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001579431303 1078628263 /nfs/dbraw/zinc/62/82/63/1078628263.db2.gz KQHRDHFBAUTVKF-UHFFFAOYSA-N -1 3 371.332 2.516 20 5 FFBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001580554174 1078824758 /nfs/dbraw/zinc/82/47/58/1078824758.db2.gz IVBHXDDKBASIAG-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001580554174 1078824761 /nfs/dbraw/zinc/82/47/61/1078824761.db2.gz IVBHXDDKBASIAG-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(N2CCc3cc(F)c(F)cc3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580975303 1078900855 /nfs/dbraw/zinc/90/08/55/1078900855.db2.gz CZSMUHPCPCWESK-UHFFFAOYSA-N -1 3 372.335 2.924 20 5 FFBDHM Cc1cc(N2CCc3cc(F)c(F)cc3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580975303 1078900869 /nfs/dbraw/zinc/90/08/69/1078900869.db2.gz CZSMUHPCPCWESK-UHFFFAOYSA-N -1 3 372.335 2.924 20 5 FFBDHM Cc1cc(OC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001581040513 1078908802 /nfs/dbraw/zinc/90/88/02/1078908802.db2.gz UXJFETXRPFRKOC-UHFFFAOYSA-N -1 3 367.365 2.967 20 5 FFBDHM Cc1cc(OC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001581040513 1078908808 /nfs/dbraw/zinc/90/88/08/1078908808.db2.gz UXJFETXRPFRKOC-UHFFFAOYSA-N -1 3 367.365 2.967 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001581213688 1078940521 /nfs/dbraw/zinc/94/05/21/1078940521.db2.gz GEKWRRXHDGUQFK-UHFFFAOYSA-N -1 3 364.365 2.676 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001581213688 1078940527 /nfs/dbraw/zinc/94/05/27/1078940527.db2.gz GEKWRRXHDGUQFK-UHFFFAOYSA-N -1 3 364.365 2.676 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@H](C2CCCCC2)C1 ZINC001582803317 1079108549 /nfs/dbraw/zinc/10/85/49/1079108549.db2.gz BVCHNRAQCYHMTM-ZDUSSCGKSA-N -1 3 357.418 2.967 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@H](C2CCCCC2)C1 ZINC001582803317 1079108552 /nfs/dbraw/zinc/10/85/52/1079108552.db2.gz BVCHNRAQCYHMTM-ZDUSSCGKSA-N -1 3 357.418 2.967 20 5 FFBDHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc([N+](=O)[O-])ccc3C)c2c1=O ZINC001559001400 1076112886 /nfs/dbraw/zinc/11/28/86/1076112886.db2.gz SDLWLPLFLAVJHB-UHFFFAOYSA-N -1 3 355.354 2.522 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001559271223 1076143504 /nfs/dbraw/zinc/14/35/04/1076143504.db2.gz ZDFGCVOXLRBZFY-UHFFFAOYSA-N -1 3 370.365 2.583 20 5 FFBDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC001561456053 1076378954 /nfs/dbraw/zinc/37/89/54/1076378954.db2.gz FRECMZCOPNZVPC-VIFPVBQESA-N -1 3 373.431 2.889 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001561621060 1076399592 /nfs/dbraw/zinc/39/95/92/1076399592.db2.gz FYNJKEDTKMNVSF-QLJPJBMISA-N -1 3 366.370 2.843 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccncc2)C2CC2)c(F)c1 ZINC001561998559 1076463013 /nfs/dbraw/zinc/46/30/13/1076463013.db2.gz JOFNKJBMMYROLQ-OAHLLOKOSA-N -1 3 351.359 2.559 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001588770070 1080186297 /nfs/dbraw/zinc/18/62/97/1080186297.db2.gz FEVKIHUCUMRNLO-CSKARUKUSA-N -1 3 369.312 2.923 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001588770070 1080186302 /nfs/dbraw/zinc/18/63/02/1080186302.db2.gz FEVKIHUCUMRNLO-CSKARUKUSA-N -1 3 369.312 2.923 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001588770071 1080186715 /nfs/dbraw/zinc/18/67/15/1080186715.db2.gz FEVKIHUCUMRNLO-NTMALXAHSA-N -1 3 369.312 2.923 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001588770071 1080186720 /nfs/dbraw/zinc/18/67/20/1080186720.db2.gz FEVKIHUCUMRNLO-NTMALXAHSA-N -1 3 369.312 2.923 20 5 FFBDHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589030540 1080314643 /nfs/dbraw/zinc/31/46/43/1080314643.db2.gz NDNPZAUWDLZHIX-SNVBAGLBSA-N -1 3 371.328 2.761 20 5 FFBDHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589030540 1080314649 /nfs/dbraw/zinc/31/46/49/1080314649.db2.gz NDNPZAUWDLZHIX-SNVBAGLBSA-N -1 3 371.328 2.761 20 5 FFBDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001589301563 1080471019 /nfs/dbraw/zinc/47/10/19/1080471019.db2.gz LJYRKEBMLNBGDF-UHFFFAOYSA-N -1 3 366.381 2.526 20 5 FFBDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001589301563 1080471022 /nfs/dbraw/zinc/47/10/22/1080471022.db2.gz LJYRKEBMLNBGDF-UHFFFAOYSA-N -1 3 366.381 2.526 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001589876289 1080825387 /nfs/dbraw/zinc/82/53/87/1080825387.db2.gz ACQQDLIROHJRSL-LBPRGKRZSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001589876289 1080825396 /nfs/dbraw/zinc/82/53/96/1080825396.db2.gz ACQQDLIROHJRSL-LBPRGKRZSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589978429 1080918042 /nfs/dbraw/zinc/91/80/42/1080918042.db2.gz RABMMVYUAPEEAQ-NSHDSACASA-N -1 3 361.365 2.918 20 5 FFBDHM C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589978429 1080918046 /nfs/dbraw/zinc/91/80/46/1080918046.db2.gz RABMMVYUAPEEAQ-NSHDSACASA-N -1 3 361.365 2.918 20 5 FFBDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001589987250 1080923478 /nfs/dbraw/zinc/92/34/78/1080923478.db2.gz BKAHYDOKXYQADG-SECBINFHSA-N -1 3 372.364 2.548 20 5 FFBDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cc(F)ccc1N(C)C ZINC001589987250 1080923482 /nfs/dbraw/zinc/92/34/82/1080923482.db2.gz BKAHYDOKXYQADG-SECBINFHSA-N -1 3 372.364 2.548 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@@H]1c1cccnc1 ZINC001590107745 1081019004 /nfs/dbraw/zinc/01/90/04/1081019004.db2.gz BBLMGGLTVIZDEP-OAHLLOKOSA-N -1 3 351.370 2.757 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1cccnc1 ZINC001590107745 1081019009 /nfs/dbraw/zinc/01/90/09/1081019009.db2.gz BBLMGGLTVIZDEP-OAHLLOKOSA-N -1 3 351.370 2.757 20 5 FFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000093008804 250010684 /nfs/dbraw/zinc/01/06/84/250010684.db2.gz YVQBNYDWCFUVFB-SECBINFHSA-N -1 3 359.404 2.847 20 5 FFBDHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272468444 252046099 /nfs/dbraw/zinc/04/60/99/252046099.db2.gz MRLPFCCCWLZADI-UHFFFAOYSA-N -1 3 366.399 2.726 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000273811492 255794587 /nfs/dbraw/zinc/79/45/87/255794587.db2.gz DNRXWWJHKOGJRN-IIAWOOMASA-N -1 3 370.352 2.529 20 5 FFBDHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277488726 256203172 /nfs/dbraw/zinc/20/31/72/256203172.db2.gz WXYVGOAEQDBORK-QGZVFWFLSA-N -1 3 373.409 2.884 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000032402239 506249023 /nfs/dbraw/zinc/24/90/23/506249023.db2.gz IZODSFCMLMUDKP-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM CC(C)N(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000012141381 506822546 /nfs/dbraw/zinc/82/25/46/506822546.db2.gz OHUAIPBQMONHOU-UHFFFAOYSA-N -1 3 363.867 2.645 20 5 FFBDHM CCc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000056060385 506920948 /nfs/dbraw/zinc/92/09/48/506920948.db2.gz OOSTZEFBIOYADO-UHFFFAOYSA-N -1 3 356.425 2.706 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)c(F)c1 ZINC000056076680 506926523 /nfs/dbraw/zinc/92/65/23/506926523.db2.gz ORBABUZRWNDSNW-UHFFFAOYSA-N -1 3 364.807 2.970 20 5 FFBDHM CC(=O)Nc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000046330954 507116603 /nfs/dbraw/zinc/11/66/03/507116603.db2.gz ANSMJIKCAFQHRW-UHFFFAOYSA-N -1 3 357.301 2.821 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000024365864 507405621 /nfs/dbraw/zinc/40/56/21/507405621.db2.gz OLFAXWLCDXIZDC-UHFFFAOYSA-N -1 3 364.423 2.905 20 5 FFBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000069126130 507416951 /nfs/dbraw/zinc/41/69/51/507416951.db2.gz VANCCUCRYHTKGZ-JTQLQIEISA-N -1 3 372.834 2.638 20 5 FFBDHM COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000025310861 507488181 /nfs/dbraw/zinc/48/81/81/507488181.db2.gz CMCAQLGZTWBFEY-KRWDZBQOSA-N -1 3 373.365 2.522 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000026880757 507616589 /nfs/dbraw/zinc/61/65/89/507616589.db2.gz HAZOSFJPURDJSA-SNVBAGLBSA-N -1 3 356.425 2.574 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)n1 ZINC000064342952 507791869 /nfs/dbraw/zinc/79/18/69/507791869.db2.gz VJZKEIIMOBBKQN-UHFFFAOYSA-N -1 3 364.361 2.835 20 5 FFBDHM CC(=O)c1csc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000106917325 507828826 /nfs/dbraw/zinc/82/88/26/507828826.db2.gz JTDRBDGGMDYXDS-UHFFFAOYSA-N -1 3 357.351 2.896 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)c1cccs1 ZINC000114498921 508322389 /nfs/dbraw/zinc/32/23/89/508322389.db2.gz OKAJYPRYVKLCPN-UHFFFAOYSA-N -1 3 370.452 2.921 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000157224611 508539546 /nfs/dbraw/zinc/53/95/46/508539546.db2.gz BXAMKDRWGUNXFB-UHFFFAOYSA-N -1 3 360.313 2.997 20 5 FFBDHM COc1ccc(F)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000157334338 508553649 /nfs/dbraw/zinc/55/36/49/508553649.db2.gz SJHZATBMPMKNBX-UHFFFAOYSA-N -1 3 354.359 2.727 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)c(F)c1 ZINC000134665684 508556532 /nfs/dbraw/zinc/55/65/32/508556532.db2.gz ZOWPHBNNQBJGKM-LBPRGKRZSA-N -1 3 372.418 2.894 20 5 FFBDHM COCc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000123093577 508634727 /nfs/dbraw/zinc/63/47/27/508634727.db2.gz HSUCLKJCCIZGEP-UHFFFAOYSA-N -1 3 356.425 2.590 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000154061189 508709437 /nfs/dbraw/zinc/70/94/37/508709437.db2.gz ZDYADXJNENJNQZ-UHFFFAOYSA-N -1 3 355.441 2.962 20 5 FFBDHM CCOC(=O)c1c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])sc(C)c1CC ZINC000137142020 508738973 /nfs/dbraw/zinc/73/89/73/508738973.db2.gz WLSGJGOJQJJSHJ-UHFFFAOYSA-N -1 3 352.372 2.679 20 5 FFBDHM C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CN1Cc1ccccc1 ZINC000137881917 508766356 /nfs/dbraw/zinc/76/63/56/508766356.db2.gz GQRLLNBHDPFYAT-BBRMVZONSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000123983546 508767253 /nfs/dbraw/zinc/76/72/53/508767253.db2.gz MUQHHASHYXUFGY-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1 ZINC000119580324 508822515 /nfs/dbraw/zinc/82/25/15/508822515.db2.gz RXTLRESXNXYOIK-UHFFFAOYSA-N -1 3 358.383 2.693 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1 ZINC000119580324 508822518 /nfs/dbraw/zinc/82/25/18/508822518.db2.gz RXTLRESXNXYOIK-UHFFFAOYSA-N -1 3 358.383 2.693 20 5 FFBDHM Cn1cc(-c2csc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)n2)cn1 ZINC000150729704 508881608 /nfs/dbraw/zinc/88/16/08/508881608.db2.gz DLSKEQYAMNPKSQ-UHFFFAOYSA-N -1 3 369.366 2.580 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1c(C)nn(C)c1C ZINC000124821244 508890444 /nfs/dbraw/zinc/89/04/44/508890444.db2.gz GOLYMKJADQAUAY-NSHDSACASA-N -1 3 372.472 2.745 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)cc1C ZINC000155015515 508904386 /nfs/dbraw/zinc/90/43/86/508904386.db2.gz JKVKSNAIKXOUFB-OAHLLOKOSA-N -1 3 358.460 2.533 20 5 FFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125028346 508920798 /nfs/dbraw/zinc/92/07/98/508920798.db2.gz AMHICCAEYFAXEA-KOLCDFICSA-N -1 3 350.487 2.917 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000125670956 509014171 /nfs/dbraw/zinc/01/41/71/509014171.db2.gz DQWILEBUZUJLMA-LLVKDONJSA-N -1 3 360.457 2.735 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1nccs1 ZINC000151486809 509027075 /nfs/dbraw/zinc/02/70/75/509027075.db2.gz VICMLAZTAIVKMQ-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)cc1[N+](=O)[O-] ZINC000125838740 509035612 /nfs/dbraw/zinc/03/56/12/509035612.db2.gz SXQQQKJIGUXKEW-UHFFFAOYSA-N -1 3 355.441 2.616 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000156020443 509110904 /nfs/dbraw/zinc/11/09/04/509110904.db2.gz RYTRORFRGFEDJQ-UHFFFAOYSA-N -1 3 373.818 2.840 20 5 FFBDHM C[C@H](c1ccccc1)N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000185671636 509297408 /nfs/dbraw/zinc/29/74/08/509297408.db2.gz VHZLPOFPGHYALC-CYBMUJFWSA-N -1 3 370.409 2.651 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192266477 509434195 /nfs/dbraw/zinc/43/41/95/509434195.db2.gz RXMOPGFETJVIGB-YOEHRIQHSA-N -1 3 362.407 2.651 20 5 FFBDHM CCc1ccc([C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000164038122 509456113 /nfs/dbraw/zinc/45/61/13/509456113.db2.gz XCWHLLPXXPISAJ-KRWDZBQOSA-N -1 3 357.410 2.896 20 5 FFBDHM COc1ccc([N-]C(=O)c2cn(-c3ccc(F)cc3C)nn2)c([N+](=O)[O-])c1 ZINC000179474520 509464862 /nfs/dbraw/zinc/46/48/62/509464862.db2.gz ONPVZTNPDCIXNJ-UHFFFAOYSA-N -1 3 371.328 2.884 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000248851757 509511557 /nfs/dbraw/zinc/51/15/57/509511557.db2.gz OVFQTCWYPCIVNX-XJKSGUPXSA-N -1 3 355.394 2.551 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCN(C2CCC2)C1 ZINC000183018827 509551214 /nfs/dbraw/zinc/55/12/14/509551214.db2.gz OKONZCAESCBHFO-RYUDHWBXSA-N -1 3 373.500 2.588 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000186252517 509603983 /nfs/dbraw/zinc/60/39/83/509603983.db2.gz VSAHEUQAAKQIAE-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)Cc1cccs1 ZINC000173449721 509606259 /nfs/dbraw/zinc/60/62/59/509606259.db2.gz SEJPEAIATFHLRS-NSHDSACASA-N -1 3 370.452 2.822 20 5 FFBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000173484300 509629174 /nfs/dbraw/zinc/62/91/74/509629174.db2.gz QPEBGOUPNKPJAU-ZDUSSCGKSA-N -1 3 353.425 2.789 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCc1cccn1C ZINC000173606141 509671430 /nfs/dbraw/zinc/67/14/30/509671430.db2.gz OSEQQNJUPODUMN-ZDUSSCGKSA-N -1 3 351.428 2.541 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)cc1C ZINC000173607598 509673133 /nfs/dbraw/zinc/67/31/33/509673133.db2.gz KBEKYJUNCLFRLO-AWEZNQCLSA-N -1 3 365.455 2.850 20 5 FFBDHM CC(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000189751278 509732944 /nfs/dbraw/zinc/73/29/44/509732944.db2.gz WGBVBHZZDSNWQB-UHFFFAOYSA-N -1 3 366.381 2.828 20 5 FFBDHM CC(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000189751278 509732950 /nfs/dbraw/zinc/73/29/50/509732950.db2.gz WGBVBHZZDSNWQB-UHFFFAOYSA-N -1 3 366.381 2.828 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000170735798 509747603 /nfs/dbraw/zinc/74/76/03/509747603.db2.gz XIAZDEOLAAQTOL-HNNXBMFYSA-N -1 3 350.396 2.569 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c1C ZINC000186688243 509852564 /nfs/dbraw/zinc/85/25/64/509852564.db2.gz AOXANIRSMPDFSO-SNVBAGLBSA-N -1 3 355.441 2.750 20 5 FFBDHM CN1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000183611657 509885789 /nfs/dbraw/zinc/88/57/89/509885789.db2.gz FKDKPLZJQMXIJQ-UHFFFAOYSA-N -1 3 359.382 2.630 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000173985451 509888813 /nfs/dbraw/zinc/88/88/13/509888813.db2.gz LFOKWNVADHJYHV-CQSZACIVSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1nc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])sc1C ZINC000190034822 509897741 /nfs/dbraw/zinc/89/77/41/509897741.db2.gz GMJQJYCECJICQY-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000190152463 509971997 /nfs/dbraw/zinc/97/19/97/509971997.db2.gz JFCMOCDUHHVNHR-AWEZNQCLSA-N -1 3 356.444 2.839 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c1C ZINC000180599642 510006091 /nfs/dbraw/zinc/00/60/91/510006091.db2.gz HKBSIQSWIMXVFA-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1[N+](=O)[O-] ZINC000269470940 510423352 /nfs/dbraw/zinc/42/33/52/510423352.db2.gz ITAQISNLXQBDPQ-UHFFFAOYSA-N -1 3 361.387 2.551 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCc2cc(N)ccc21 ZINC000184713422 510478142 /nfs/dbraw/zinc/47/81/42/510478142.db2.gz JFJMZMBLKJLMKL-OAHLLOKOSA-N -1 3 361.423 2.841 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000184757504 510503039 /nfs/dbraw/zinc/50/30/39/510503039.db2.gz PBFNKSXQEMUMGI-ZDUSSCGKSA-N -1 3 353.400 2.770 20 5 FFBDHM O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000194745900 510508976 /nfs/dbraw/zinc/50/89/76/510508976.db2.gz ORMSMTHOFSRCDK-OAHLLOKOSA-N -1 3 355.394 2.552 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC000178327523 510549027 /nfs/dbraw/zinc/54/90/27/510549027.db2.gz OBUKWCTVVVGTHZ-HNNXBMFYSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2)n1 ZINC000194937765 510600102 /nfs/dbraw/zinc/60/01/02/510600102.db2.gz WGKDMLRTSIHCAC-UHFFFAOYSA-N -1 3 365.349 2.609 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])cc1C ZINC000191455612 510667490 /nfs/dbraw/zinc/66/74/90/510667490.db2.gz UWPAMNGRLFJRHN-UHFFFAOYSA-N -1 3 352.372 2.610 20 5 FFBDHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191457646 510669176 /nfs/dbraw/zinc/66/91/76/510669176.db2.gz FIZLZMASGNPWGP-UHFFFAOYSA-N -1 3 366.399 2.864 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCCCSC)cc1[N+](=O)[O-] ZINC000275337715 510873930 /nfs/dbraw/zinc/87/39/30/510873930.db2.gz DIRKGNNPXODRDH-UHFFFAOYSA-N -1 3 366.436 2.554 20 5 FFBDHM COC[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000271421898 511199619 /nfs/dbraw/zinc/19/96/19/511199619.db2.gz RGXKSCUMSPRZOK-VIFPVBQESA-N -1 3 360.413 2.761 20 5 FFBDHM COc1cc(CNc2cc([C@H]3CCCOC3)nn2C)c([N+](=O)[O-])cc1[O-] ZINC000280100546 511335379 /nfs/dbraw/zinc/33/53/79/511335379.db2.gz OHHNVMHHGCEASO-NSHDSACASA-N -1 3 362.386 2.549 20 5 FFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)cc1SC ZINC000273574870 511539589 /nfs/dbraw/zinc/53/95/89/511539589.db2.gz JZQGIUHCBUHTSR-UHFFFAOYSA-N -1 3 363.399 2.963 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274935238 511992707 /nfs/dbraw/zinc/99/27/07/511992707.db2.gz MHEGPBKIFMPSHB-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000389803782 512902449 /nfs/dbraw/zinc/90/24/49/512902449.db2.gz UIPZXLIYCHKAIB-SWLSCSKDSA-N -1 3 356.382 2.620 20 5 FFBDHM C[C@@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397997930 512952337 /nfs/dbraw/zinc/95/23/37/512952337.db2.gz CQYDTVZLVTURHX-TZMCWYRMSA-N -1 3 356.382 2.763 20 5 FFBDHM COc1ccc(CN[C@@H](CSCC=C(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000417633930 513127598 /nfs/dbraw/zinc/12/75/98/513127598.db2.gz YGMYOQMEUWIYQR-ZDUSSCGKSA-N -1 3 354.428 2.846 20 5 FFBDHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028676 513384533 /nfs/dbraw/zinc/38/45/33/513384533.db2.gz OYDUJSQNSVIARU-QMMMGPOBSA-N -1 3 363.233 2.824 20 5 FFBDHM CSC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416400508 513752836 /nfs/dbraw/zinc/75/28/36/513752836.db2.gz KAXZVKMYRWSVRT-ZETCQYMHSA-N -1 3 358.363 2.643 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000416484742 513796786 /nfs/dbraw/zinc/79/67/86/513796786.db2.gz WAWDBFKOZDZXEB-UHFFFAOYSA-N -1 3 374.287 2.937 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000451674098 513902999 /nfs/dbraw/zinc/90/29/99/513902999.db2.gz XQRDERGUSRKCRS-UHFFFAOYSA-N -1 3 369.830 2.899 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c([O-])c1 ZINC000436627118 513921711 /nfs/dbraw/zinc/92/17/11/513921711.db2.gz NKSQUJXRGGKTKN-UHFFFAOYSA-N -1 3 357.366 2.676 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(C)(C)C ZINC000451784904 513978723 /nfs/dbraw/zinc/97/87/23/513978723.db2.gz UVYWZVRPGXSJFA-AWEZNQCLSA-N -1 3 372.443 2.875 20 5 FFBDHM CO[C@](C)(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000451825669 514006477 /nfs/dbraw/zinc/00/64/77/514006477.db2.gz OFQUROICTQDUAK-QGZVFWFLSA-N -1 3 364.423 2.743 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436876004 514017119 /nfs/dbraw/zinc/01/71/19/514017119.db2.gz ZWDLVRQTOBVESC-KSSFIOAISA-N -1 3 369.421 2.941 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436959043 514050820 /nfs/dbraw/zinc/05/08/20/514050820.db2.gz LIAMSNQORAISHD-HIFRSBDPSA-N -1 3 355.394 2.866 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000443925383 514072531 /nfs/dbraw/zinc/07/25/31/514072531.db2.gz HFNKHANUAJJVCI-UHFFFAOYSA-N -1 3 361.423 2.656 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1F ZINC000414398339 514091894 /nfs/dbraw/zinc/09/18/94/514091894.db2.gz TUMCAKUOOFPJAM-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)cc1C ZINC000452030863 514147646 /nfs/dbraw/zinc/14/76/46/514147646.db2.gz PNZVVORRNDLZFX-UHFFFAOYSA-N -1 3 351.384 2.556 20 5 FFBDHM CC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCC1 ZINC000427275436 514169859 /nfs/dbraw/zinc/16/98/59/514169859.db2.gz SPNHMVMFWOFGLS-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1 ZINC000452099378 514189850 /nfs/dbraw/zinc/18/98/50/514189850.db2.gz GXRGGENREZOTNU-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000420699485 514248493 /nfs/dbraw/zinc/24/84/93/514248493.db2.gz BRVGOWZUROVBHD-JTQLQIEISA-N -1 3 362.498 2.776 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(Cc3nnc4n3CCCC4)c2)n1 ZINC000444874931 514357085 /nfs/dbraw/zinc/35/70/85/514357085.db2.gz RILNHZIFTPXNEJ-UHFFFAOYSA-N -1 3 368.401 2.523 20 5 FFBDHM O=C(Nc1nc2cc(F)c(F)cc2s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445186983 514438667 /nfs/dbraw/zinc/43/86/67/514438667.db2.gz PYKSSBTYHOAECO-UHFFFAOYSA-N -1 3 352.278 2.836 20 5 FFBDHM Cc1ccc(C(=O)NCCc2nc(-c3ccc([N+](=O)[O-])s3)no2)c([O-])c1 ZINC000445486025 514486193 /nfs/dbraw/zinc/48/61/93/514486193.db2.gz HMEDWEMOQCWEIS-UHFFFAOYSA-N -1 3 374.378 2.693 20 5 FFBDHM Cc1cc([C@H](C)NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000453151829 514559529 /nfs/dbraw/zinc/55/95/29/514559529.db2.gz WKAZLUZDNQXFNC-LBPRGKRZSA-N -1 3 369.468 2.594 20 5 FFBDHM COc1ccc2c(c1)N(C(=O)c1n[n-]c3ccc([N+](=O)[O-])cc31)C[C@H](C)O2 ZINC000461324922 514569109 /nfs/dbraw/zinc/56/91/09/514569109.db2.gz SMSLLIATXMKNRN-JTQLQIEISA-N -1 3 368.349 2.907 20 5 FFBDHM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000458222009 514640248 /nfs/dbraw/zinc/64/02/48/514640248.db2.gz UXUAUKUYOUJQCG-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000502713890 514748435 /nfs/dbraw/zinc/74/84/35/514748435.db2.gz UBODHGIHWNEDSC-HNNXBMFYSA-N -1 3 369.487 2.836 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000467055738 514879503 /nfs/dbraw/zinc/87/95/03/514879503.db2.gz DJBVQFAFHSQRQF-RYUDHWBXSA-N -1 3 362.473 2.837 20 5 FFBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c1F ZINC000485154226 514937512 /nfs/dbraw/zinc/93/75/12/514937512.db2.gz XPHNSICJHAXCFW-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000480396251 514942970 /nfs/dbraw/zinc/94/29/70/514942970.db2.gz TXBGUEMEJOZESZ-UHFFFAOYSA-N -1 3 356.444 2.777 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 ZINC000462666773 515178711 /nfs/dbraw/zinc/17/87/11/515178711.db2.gz NEAYHGHUHGKPKM-SNVBAGLBSA-N -1 3 368.415 2.623 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCCC2 ZINC000462681833 515186850 /nfs/dbraw/zinc/18/68/50/515186850.db2.gz RHGLRZOTESJROK-HUUCEWRRSA-N -1 3 368.455 2.919 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000462696027 515193917 /nfs/dbraw/zinc/19/39/17/515193917.db2.gz DUAZKDIOTQFZDC-JHJVBQTASA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000462722013 515213006 /nfs/dbraw/zinc/21/30/06/515213006.db2.gz OEJWLKUUZFJIIO-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM Cc1nc(C)c(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c(=O)[n-]1 ZINC000504267798 515257775 /nfs/dbraw/zinc/25/77/75/515257775.db2.gz PCWVJIONMGDHGP-SNVBAGLBSA-N -1 3 356.382 2.618 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000504478631 515314355 /nfs/dbraw/zinc/31/43/55/515314355.db2.gz YGKXLHIQRIBILS-UHFFFAOYSA-N -1 3 352.387 2.990 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)c([N+](=O)[O-])c1 ZINC000509776309 515320881 /nfs/dbraw/zinc/32/08/81/515320881.db2.gz IQLNFMHCCBAWFB-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c1[N+](=O)[O-] ZINC000481497706 515350624 /nfs/dbraw/zinc/35/06/24/515350624.db2.gz XCNDLJRINODLOI-ZDUSSCGKSA-N -1 3 358.460 2.677 20 5 FFBDHM O=C(CCCc1ccc([O-])c(F)c1)NCCNc1ccccc1[N+](=O)[O-] ZINC000468569132 515419320 /nfs/dbraw/zinc/41/93/20/515419320.db2.gz ZVEGLFVZBBRAHA-UHFFFAOYSA-N -1 3 361.373 2.991 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000499703826 515419917 /nfs/dbraw/zinc/41/99/17/515419917.db2.gz GKBHFRPUODNQGL-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000491549705 515452023 /nfs/dbraw/zinc/45/20/23/515452023.db2.gz WEIBUWUZZYNUTH-IJLUTSLNSA-N -1 3 372.418 2.990 20 5 FFBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000486654624 515581434 /nfs/dbraw/zinc/58/14/34/515581434.db2.gz SJMQTFQBAWBLRU-MNOVXSKESA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]1 ZINC000486654624 515581444 /nfs/dbraw/zinc/58/14/44/515581444.db2.gz SJMQTFQBAWBLRU-MNOVXSKESA-N -1 3 367.431 2.574 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(F)cc1Cl ZINC000500131875 515604067 /nfs/dbraw/zinc/60/40/67/515604067.db2.gz NRVXKJVYAUBHRV-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000463867929 515648981 /nfs/dbraw/zinc/64/89/81/515648981.db2.gz UICZKVBEGODODE-KGLIPLIRSA-N -1 3 356.444 2.774 20 5 FFBDHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505759433 515659391 /nfs/dbraw/zinc/65/93/91/515659391.db2.gz ZTZIMMHQKYDILF-GOSISDBHSA-N -1 3 355.394 2.867 20 5 FFBDHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487134113 515771556 /nfs/dbraw/zinc/77/15/56/515771556.db2.gz ZFWPWWIXYQVIDG-JTQLQIEISA-N -1 3 355.803 2.553 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000473854533 515778234 /nfs/dbraw/zinc/77/82/34/515778234.db2.gz ZABWDFCTBGJGRD-GFCCVEGCSA-N -1 3 370.287 2.862 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000506225155 515822354 /nfs/dbraw/zinc/82/23/54/515822354.db2.gz HJLHDOAAATYGAC-NSHDSACASA-N -1 3 370.814 2.994 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000474149128 515906327 /nfs/dbraw/zinc/90/63/27/515906327.db2.gz ZJCXALVFVJOKJO-SFHVURJKSA-N -1 3 354.366 2.570 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC000479124576 516068301 /nfs/dbraw/zinc/06/83/01/516068301.db2.gz FXJDYBPKUXDFRI-UHFFFAOYSA-N -1 3 362.367 2.589 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c1C ZINC000501447012 516107852 /nfs/dbraw/zinc/10/78/52/516107852.db2.gz IHXHMUGPMKXKCW-ZYHUDNBSSA-N -1 3 364.370 2.650 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)n1 ZINC000495315919 516136863 /nfs/dbraw/zinc/13/68/63/516136863.db2.gz GUHHAHLTFGOCIB-UHFFFAOYSA-N -1 3 365.321 2.982 20 5 FFBDHM Cc1oc(C2CC2)nc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000496034767 516228505 /nfs/dbraw/zinc/22/85/05/516228505.db2.gz UGHMFUBRWJCWBA-UHFFFAOYSA-N -1 3 354.326 2.806 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000507542297 516237470 /nfs/dbraw/zinc/23/74/70/516237470.db2.gz MQDVHOFNMSPFRR-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)c1ccc(F)cc1 ZINC000512766406 516351912 /nfs/dbraw/zinc/35/19/12/516351912.db2.gz FMBVVXDCKQNIPV-NSHDSACASA-N -1 3 368.386 2.825 20 5 FFBDHM O=[N+]([O-])c1ccccc1CNc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000561251675 516478196 /nfs/dbraw/zinc/47/81/96/516478196.db2.gz ZHAAPSFJKSCQDU-UHFFFAOYSA-N -1 3 365.386 2.787 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000523728818 516560192 /nfs/dbraw/zinc/56/01/92/516560192.db2.gz QJXKVZGQADHPKU-UHFFFAOYSA-N -1 3 370.358 2.860 20 5 FFBDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000561561988 516655037 /nfs/dbraw/zinc/65/50/37/516655037.db2.gz DDQPDEHVFWUQSL-QLJPJBMISA-N -1 3 366.370 2.676 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000554928373 516703056 /nfs/dbraw/zinc/70/30/56/516703056.db2.gz JMGHYAXLEYICMU-CHWSQXEVSA-N -1 3 356.444 2.775 20 5 FFBDHM COCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000559106834 517084519 /nfs/dbraw/zinc/08/45/19/517084519.db2.gz HNTZWPLJSRXXFI-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)c1C ZINC000533095759 517292866 /nfs/dbraw/zinc/29/28/66/517292866.db2.gz GHNVGLDXLMOROO-OAHLLOKOSA-N -1 3 364.423 2.532 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000545598215 517304648 /nfs/dbraw/zinc/30/46/48/517304648.db2.gz AJXUFEVAQPOWIF-UHFFFAOYSA-N -1 3 366.380 2.745 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000515707151 517451925 /nfs/dbraw/zinc/45/19/25/517451925.db2.gz KOJQFKSRRONQOI-GXFFZTMASA-N -1 3 366.395 2.798 20 5 FFBDHM CC[C@@H]1C[C@H](CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCO1 ZINC000542885004 517799226 /nfs/dbraw/zinc/79/92/26/517799226.db2.gz VWKFLNAUBODKKN-IUODEOHRSA-N -1 3 358.398 2.941 20 5 FFBDHM CSc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000538970158 517869005 /nfs/dbraw/zinc/86/90/05/517869005.db2.gz UNXCKVSFCZECDP-UHFFFAOYSA-N -1 3 373.843 2.844 20 5 FFBDHM CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000584413430 518330440 /nfs/dbraw/zinc/33/04/40/518330440.db2.gz ZCEAUCOLWUISQI-LBPRGKRZSA-N -1 3 355.822 2.900 20 5 FFBDHM C[C@@H]1C[C@H]1N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)C1 ZINC000576350178 518550132 /nfs/dbraw/zinc/55/01/32/518550132.db2.gz WDCLXIPLNFKIDP-MISXGVKJSA-N -1 3 367.833 2.756 20 5 FFBDHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000582635328 518848265 /nfs/dbraw/zinc/84/82/65/518848265.db2.gz WTUXRLMHLMBOGJ-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM COc1ncnc(OC)c1C(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000568090497 518869588 /nfs/dbraw/zinc/86/95/88/518869588.db2.gz MFMKRWMEHYTNHS-UHFFFAOYSA-N -1 3 360.370 2.952 20 5 FFBDHM CCOCCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1CC ZINC000571049138 518902483 /nfs/dbraw/zinc/90/24/83/518902483.db2.gz FQJDKCIPFJMZJZ-CQSZACIVSA-N -1 3 365.430 2.539 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000573972720 518927173 /nfs/dbraw/zinc/92/71/73/518927173.db2.gz BSHCHAMSIPYENU-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCCc2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000568344418 518989683 /nfs/dbraw/zinc/98/96/83/518989683.db2.gz OQGXWLICMMITSW-UHFFFAOYSA-N -1 3 365.353 2.961 20 5 FFBDHM Cc1cc(N2CCc3c(=O)[n-]cnc3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000589690293 519064730 /nfs/dbraw/zinc/06/47/30/519064730.db2.gz CFTXDALLHQBSFN-UHFFFAOYSA-N -1 3 354.288 2.980 20 5 FFBDHM O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590562354 519266814 /nfs/dbraw/zinc/26/68/14/519266814.db2.gz JIFNPYLXZVQMRQ-UHFFFAOYSA-N -1 3 364.321 2.819 20 5 FFBDHM Cc1cccc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1[N+](=O)[O-] ZINC000572305344 519546387 /nfs/dbraw/zinc/54/63/87/519546387.db2.gz DYTZAQDEKVTRKL-GOSISDBHSA-N -1 3 354.366 2.570 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000575197191 519550585 /nfs/dbraw/zinc/55/05/85/519550585.db2.gz PIEMWDKHFXTIIV-LBPRGKRZSA-N -1 3 359.386 2.591 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)c(F)c1 ZINC000594490794 520000547 /nfs/dbraw/zinc/00/05/47/520000547.db2.gz JHUJIRWIOFUMSL-LBPRGKRZSA-N -1 3 358.391 2.504 20 5 FFBDHM COc1cc(CN[C@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1[O-] ZINC000594524495 520014219 /nfs/dbraw/zinc/01/42/19/520014219.db2.gz ZBZCMYRQXLCCFJ-ZDUSSCGKSA-N -1 3 360.366 2.931 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)cs1 ZINC000592027615 520142154 /nfs/dbraw/zinc/14/21/54/520142154.db2.gz PHCFFSHLAJCXHB-UHFFFAOYSA-N -1 3 355.441 2.655 20 5 FFBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])OC ZINC000594776100 520150590 /nfs/dbraw/zinc/15/05/90/520150590.db2.gz QPIMDDJQOXFSLW-UHFFFAOYSA-N -1 3 367.427 2.627 20 5 FFBDHM COc1ccccc1C1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000592070838 520166572 /nfs/dbraw/zinc/16/65/72/520166572.db2.gz ZOSXHFMHKAVDPA-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000609418605 520307219 /nfs/dbraw/zinc/30/72/19/520307219.db2.gz BLZBHOXHWIADGJ-MRVPVSSYSA-N -1 3 363.233 2.682 20 5 FFBDHM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609543416 520351242 /nfs/dbraw/zinc/35/12/42/520351242.db2.gz INDFLFZIFQPCHV-HWPZZCPQSA-N -1 3 350.371 2.946 20 5 FFBDHM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609543419 520352170 /nfs/dbraw/zinc/35/21/70/520352170.db2.gz INDFLFZIFQPCHV-QLJPJBMISA-N -1 3 350.371 2.946 20 5 FFBDHM COc1cc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000595279464 520383534 /nfs/dbraw/zinc/38/35/34/520383534.db2.gz PLASXJSMLAEYAH-CVEARBPZSA-N -1 3 356.378 2.904 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000603958704 520415488 /nfs/dbraw/zinc/41/54/88/520415488.db2.gz LGKGRNWQNCYWJY-ZWNOBZJWSA-N -1 3 366.395 2.798 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000609824992 520446515 /nfs/dbraw/zinc/44/65/15/520446515.db2.gz ULAIOTBJWGWMSY-UHFFFAOYSA-N -1 3 372.443 2.621 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)O)cc1C ZINC000595407961 520449839 /nfs/dbraw/zinc/44/98/39/520449839.db2.gz NRNVBIRZZFXXRJ-GUYCJALGSA-N -1 3 364.423 2.612 20 5 FFBDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598604126 520738090 /nfs/dbraw/zinc/73/80/90/520738090.db2.gz JJMRMMJKUOBLEN-LBPRGKRZSA-N -1 3 370.452 2.593 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1([C@@H]2CCCCO2)CCC1 ZINC000601517471 520822223 /nfs/dbraw/zinc/82/22/23/520822223.db2.gz LEOVYHHAKSWXLY-HNNXBMFYSA-N -1 3 354.428 2.613 20 5 FFBDHM CCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610955533 520919795 /nfs/dbraw/zinc/91/97/95/520919795.db2.gz AZWACFLYWOXOJM-QMMMGPOBSA-N -1 3 351.222 2.824 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1noc2c1COCC2 ZINC000598933218 520927314 /nfs/dbraw/zinc/92/73/14/520927314.db2.gz SRHJDZDEXOAYQJ-UHFFFAOYSA-N -1 3 355.253 2.509 20 5 FFBDHM COc1cccc([C@@H](CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])OC)c1 ZINC000598989114 520961955 /nfs/dbraw/zinc/96/19/55/520961955.db2.gz ZCDPOAJSPHEZIC-GOSISDBHSA-N -1 3 362.382 2.795 20 5 FFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])OCC ZINC000599367327 521179019 /nfs/dbraw/zinc/17/90/19/521179019.db2.gz GAVQRZCHQXHNDG-LBPRGKRZSA-N -1 3 367.427 2.627 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000619475311 521587460 /nfs/dbraw/zinc/58/74/60/521587460.db2.gz KJQFRKPDOYUXLT-UHFFFAOYSA-N -1 3 362.407 2.961 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1ccc(C)cc1 ZINC000619477584 521588907 /nfs/dbraw/zinc/58/89/07/521588907.db2.gz KCBAOOFSXYHENJ-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000619484629 521592586 /nfs/dbraw/zinc/59/25/86/521592586.db2.gz OXPLVEUAARBTRL-NSHDSACASA-N -1 3 366.420 2.729 20 5 FFBDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489816 521594711 /nfs/dbraw/zinc/59/47/11/521594711.db2.gz PDBQUQXOQKGOFP-DGCLKSJQSA-N -1 3 374.484 2.946 20 5 FFBDHM Cc1ccc(NCCCNc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000737361433 598856692 /nfs/dbraw/zinc/85/66/92/598856692.db2.gz HECDGXNAIVKFOK-UHFFFAOYSA-N -1 3 353.386 2.997 20 5 FFBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000736841605 598914303 /nfs/dbraw/zinc/91/43/03/598914303.db2.gz FUTZRYQELBZYGO-OAHLLOKOSA-N -1 3 350.382 2.769 20 5 FFBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000736841605 598914304 /nfs/dbraw/zinc/91/43/04/598914304.db2.gz FUTZRYQELBZYGO-OAHLLOKOSA-N -1 3 350.382 2.769 20 5 FFBDHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821854632 599044260 /nfs/dbraw/zinc/04/42/60/599044260.db2.gz PTZNVIQZOAOKJI-HNNXBMFYSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821854632 599044263 /nfs/dbraw/zinc/04/42/63/599044263.db2.gz PTZNVIQZOAOKJI-HNNXBMFYSA-N -1 3 368.353 2.719 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820280595 599059311 /nfs/dbraw/zinc/05/93/11/599059311.db2.gz JZIWGARQJAEDJE-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820280595 599059314 /nfs/dbraw/zinc/05/93/14/599059314.db2.gz JZIWGARQJAEDJE-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Oc1cncc(Br)c1 ZINC000738360826 599062778 /nfs/dbraw/zinc/06/27/78/599062778.db2.gz ZKPPDLNFQASWKF-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Oc1cncc(Br)c1 ZINC000738360826 599062780 /nfs/dbraw/zinc/06/27/80/599062780.db2.gz ZKPPDLNFQASWKF-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737968573 599178457 /nfs/dbraw/zinc/17/84/57/599178457.db2.gz JWKCSXPGKDFIQT-UHFFFAOYSA-N -1 3 370.394 2.506 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737968573 599178458 /nfs/dbraw/zinc/17/84/58/599178458.db2.gz JWKCSXPGKDFIQT-UHFFFAOYSA-N -1 3 370.394 2.506 20 5 FFBDHM C[C@H](Cc1ccco1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736065286 599268929 /nfs/dbraw/zinc/26/89/29/599268929.db2.gz CAPLLHXJPSCHMI-SNVBAGLBSA-N -1 3 365.353 2.959 20 5 FFBDHM C[C@H](Cc1ccco1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736065286 599268932 /nfs/dbraw/zinc/26/89/32/599268932.db2.gz CAPLLHXJPSCHMI-SNVBAGLBSA-N -1 3 365.353 2.959 20 5 FFBDHM O=[N+]([O-])c1cc(F)cc(OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823635280 607327893 /nfs/dbraw/zinc/32/78/93/607327893.db2.gz UVTYXWBHWHRQMB-UHFFFAOYSA-N -1 3 359.317 2.762 20 5 FFBDHM O=[N+]([O-])c1cc(F)cc(OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823635280 607327894 /nfs/dbraw/zinc/32/78/94/607327894.db2.gz UVTYXWBHWHRQMB-UHFFFAOYSA-N -1 3 359.317 2.762 20 5 FFBDHM Cc1ccc(OCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737364875 598245045 /nfs/dbraw/zinc/24/50/45/598245045.db2.gz GQTVYWZYGSQIPH-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1ccc(OCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000737364875 598245047 /nfs/dbraw/zinc/24/50/47/598245047.db2.gz GQTVYWZYGSQIPH-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000736157171 598488925 /nfs/dbraw/zinc/48/89/25/598488925.db2.gz ZZGKYPJOLLPPJT-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000736157171 598488926 /nfs/dbraw/zinc/48/89/26/598488926.db2.gz ZZGKYPJOLLPPJT-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736627079 598567856 /nfs/dbraw/zinc/56/78/56/598567856.db2.gz JPHNKZVJLNQAAI-UHFFFAOYSA-N -1 3 373.300 2.532 20 5 FFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736627079 598567858 /nfs/dbraw/zinc/56/78/58/598567858.db2.gz JPHNKZVJLNQAAI-UHFFFAOYSA-N -1 3 373.300 2.532 20 5 FFBDHM COc1ccc2c(c1)CCCN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000737118696 598673426 /nfs/dbraw/zinc/67/34/26/598673426.db2.gz HITDMSUTQFZTGH-UHFFFAOYSA-N -1 3 366.381 2.736 20 5 FFBDHM COc1ccc2c(c1)CCCN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000737118696 598673428 /nfs/dbraw/zinc/67/34/28/598673428.db2.gz HITDMSUTQFZTGH-UHFFFAOYSA-N -1 3 366.381 2.736 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820461348 599352420 /nfs/dbraw/zinc/35/24/20/599352420.db2.gz IFAOLXJYFBXRNR-VIFPVBQESA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820461348 599352422 /nfs/dbraw/zinc/35/24/22/599352422.db2.gz IFAOLXJYFBXRNR-VIFPVBQESA-N -1 3 355.314 2.856 20 5 FFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736822699 599372604 /nfs/dbraw/zinc/37/26/04/599372604.db2.gz QBBLKKLSVDHGEX-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736822699 599372606 /nfs/dbraw/zinc/37/26/06/599372606.db2.gz QBBLKKLSVDHGEX-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737262019 599386773 /nfs/dbraw/zinc/38/67/73/599386773.db2.gz BKNZJKSQIINPCE-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737262019 599386775 /nfs/dbraw/zinc/38/67/75/599386775.db2.gz BKNZJKSQIINPCE-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000738366607 599434806 /nfs/dbraw/zinc/43/48/06/599434806.db2.gz FYXMKQOSBGCOEG-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000738366607 599434808 /nfs/dbraw/zinc/43/48/08/599434808.db2.gz FYXMKQOSBGCOEG-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736231114 599472270 /nfs/dbraw/zinc/47/22/70/599472270.db2.gz BAWRKWMMXWRHOX-PWSUYJOCSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736231114 599472272 /nfs/dbraw/zinc/47/22/72/599472272.db2.gz BAWRKWMMXWRHOX-PWSUYJOCSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322164 599499336 /nfs/dbraw/zinc/49/93/36/599499336.db2.gz RLXXRSOTUDDWLS-PMDBQALLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322164 599499339 /nfs/dbraw/zinc/49/93/39/599499339.db2.gz RLXXRSOTUDDWLS-PMDBQALLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820389891 599554978 /nfs/dbraw/zinc/55/49/78/599554978.db2.gz BAFVADZSCLKCCS-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820389891 599554981 /nfs/dbraw/zinc/55/49/81/599554981.db2.gz BAFVADZSCLKCCS-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822270943 599667271 /nfs/dbraw/zinc/66/72/71/599667271.db2.gz FDQHUFMWEGHZGR-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822270943 599667272 /nfs/dbraw/zinc/66/72/72/599667272.db2.gz FDQHUFMWEGHZGR-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249881 607431120 /nfs/dbraw/zinc/43/11/20/607431120.db2.gz ZLEGRFCTWSNXCR-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249881 607431121 /nfs/dbraw/zinc/43/11/21/607431121.db2.gz ZLEGRFCTWSNXCR-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832905877 601654997 /nfs/dbraw/zinc/65/49/97/601654997.db2.gz XTKJTMQPGBAXQQ-FZKQIMNGSA-N -1 3 371.393 2.893 20 5 FFBDHM O=[N+]([O-])c1cc(N2CCC[C@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000826498421 607636241 /nfs/dbraw/zinc/63/62/41/607636241.db2.gz UEWSTIHXOBIATF-AWEZNQCLSA-N -1 3 350.382 2.986 20 5 FFBDHM Cc1c(CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826235052 607660050 /nfs/dbraw/zinc/66/00/50/607660050.db2.gz AOEVRVKWWGUXQY-GFCCVEGCSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1c(CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235052 607660052 /nfs/dbraw/zinc/66/00/52/607660052.db2.gz AOEVRVKWWGUXQY-GFCCVEGCSA-N -1 3 366.381 2.503 20 5 FFBDHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000833770217 604762236 /nfs/dbraw/zinc/76/22/36/604762236.db2.gz AOICGATWWVHOHH-QGZVFWFLSA-N -1 3 360.366 2.512 20 5 FFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000833419962 604863884 /nfs/dbraw/zinc/86/38/84/604863884.db2.gz LHWVWJJFMKVBJV-AWEZNQCLSA-N -1 3 373.413 2.634 20 5 FFBDHM O=C([O-])NC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2ccccc2c1 ZINC000834207187 605974237 /nfs/dbraw/zinc/97/42/37/605974237.db2.gz OSPFNRCWVJCDRT-MRXNPFEDSA-N -1 3 369.381 2.543 20 5 FFBDHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820643118 606138696 /nfs/dbraw/zinc/13/86/96/606138696.db2.gz QFLIBLWLSVXZRJ-TZMCWYRMSA-N -1 3 365.397 2.627 20 5 FFBDHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820643118 606138697 /nfs/dbraw/zinc/13/86/97/606138697.db2.gz QFLIBLWLSVXZRJ-TZMCWYRMSA-N -1 3 365.397 2.627 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823343782 606272052 /nfs/dbraw/zinc/27/20/52/606272052.db2.gz HBYCMDIFVFNVLX-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Cl ZINC000823343782 606272053 /nfs/dbraw/zinc/27/20/53/606272053.db2.gz HBYCMDIFVFNVLX-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820556935 606325756 /nfs/dbraw/zinc/32/57/56/606325756.db2.gz WLJDPZPKUXGLHP-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820556935 606325758 /nfs/dbraw/zinc/32/57/58/606325758.db2.gz WLJDPZPKUXGLHP-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508751 606349639 /nfs/dbraw/zinc/34/96/39/606349639.db2.gz WZNMXBUZVTXHMO-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508751 606349641 /nfs/dbraw/zinc/34/96/41/606349641.db2.gz WZNMXBUZVTXHMO-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821845960 606353691 /nfs/dbraw/zinc/35/36/91/606353691.db2.gz MQFDIWXMUQIWRA-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821845960 606353693 /nfs/dbraw/zinc/35/36/93/606353693.db2.gz MQFDIWXMUQIWRA-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2SCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000823651947 606478382 /nfs/dbraw/zinc/47/83/82/606478382.db2.gz SMWCMIGYUIHEFE-AWEZNQCLSA-N -1 3 369.410 2.612 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2SCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000823651947 606478384 /nfs/dbraw/zinc/47/83/84/606478384.db2.gz SMWCMIGYUIHEFE-AWEZNQCLSA-N -1 3 369.410 2.612 20 5 FFBDHM CC(C)(NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000819987763 606545450 /nfs/dbraw/zinc/54/54/50/606545450.db2.gz KRRQTOUXJGHOMN-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)(NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000819987763 606545452 /nfs/dbraw/zinc/54/54/52/606545452.db2.gz KRRQTOUXJGHOMN-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM Cc1cc(F)cc(C(=O)OCc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822203028 606561237 /nfs/dbraw/zinc/56/12/37/606561237.db2.gz AJBIZGPMKYMMPV-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(F)cc(C(=O)OCc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822203028 606561239 /nfs/dbraw/zinc/56/12/39/606561239.db2.gz AJBIZGPMKYMMPV-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM CC[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820919306 606588628 /nfs/dbraw/zinc/58/86/28/606588628.db2.gz BIVAOIPTEGJFHU-GFCCVEGCSA-N -1 3 358.383 2.718 20 5 FFBDHM CC[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820919306 606588630 /nfs/dbraw/zinc/58/86/30/606588630.db2.gz BIVAOIPTEGJFHU-GFCCVEGCSA-N -1 3 358.383 2.718 20 5 FFBDHM C[C@@]1(c2ccccc2)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820636561 606728558 /nfs/dbraw/zinc/72/85/58/606728558.db2.gz UFUDJIOKSZMYAP-GOSISDBHSA-N -1 3 350.382 2.943 20 5 FFBDHM C[C@@]1(c2ccccc2)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820636561 606728559 /nfs/dbraw/zinc/72/85/59/606728559.db2.gz UFUDJIOKSZMYAP-GOSISDBHSA-N -1 3 350.382 2.943 20 5 FFBDHM Cc1cc(C)cc([C@@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826264431 607873137 /nfs/dbraw/zinc/87/31/37/607873137.db2.gz OIQMWCGFGVZWPI-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc(C)cc([C@@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826264431 607873138 /nfs/dbraw/zinc/87/31/38/607873138.db2.gz OIQMWCGFGVZWPI-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826293679 608053201 /nfs/dbraw/zinc/05/32/01/608053201.db2.gz XZCZPUSWCDPOGD-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826293679 608053202 /nfs/dbraw/zinc/05/32/02/608053202.db2.gz XZCZPUSWCDPOGD-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826466601 608104765 /nfs/dbraw/zinc/10/47/65/608104765.db2.gz LEDDXPFGHLBXRC-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826466601 608104766 /nfs/dbraw/zinc/10/47/66/608104766.db2.gz LEDDXPFGHLBXRC-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](C4CC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000826499428 608152135 /nfs/dbraw/zinc/15/21/35/608152135.db2.gz IGKLPNOMCNDRHX-NSHDSACASA-N -1 3 351.370 2.559 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3CC[C@H](C4CC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000826499428 608152137 /nfs/dbraw/zinc/15/21/37/608152137.db2.gz IGKLPNOMCNDRHX-NSHDSACASA-N -1 3 351.370 2.559 20 5 FFBDHM O=[N+]([O-])c1ccc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1 ZINC000826498028 608224452 /nfs/dbraw/zinc/22/44/52/608224452.db2.gz DWFBVSPCHZMLHC-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1 ZINC000826498028 608224453 /nfs/dbraw/zinc/22/44/53/608224453.db2.gz DWFBVSPCHZMLHC-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(Cl)cc2)c(-c2nnn[n-]2)c1 ZINC000826498571 608240270 /nfs/dbraw/zinc/24/02/70/608240270.db2.gz AWKPZONRFFMECR-CQSZACIVSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H](CO)c2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000826498571 608240271 /nfs/dbraw/zinc/24/02/71/608240271.db2.gz AWKPZONRFFMECR-CQSZACIVSA-N -1 3 360.761 2.574 20 5 FFBDHM C[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000824832659 608411569 /nfs/dbraw/zinc/41/15/69/608411569.db2.gz UZHVDPLCUKBOBN-SFHVURJKSA-N -1 3 365.397 2.876 20 5 FFBDHM C[C@@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000824832659 608411570 /nfs/dbraw/zinc/41/15/70/608411570.db2.gz UZHVDPLCUKBOBN-SFHVURJKSA-N -1 3 365.397 2.876 20 5 FFBDHM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826145948 608415147 /nfs/dbraw/zinc/41/51/47/608415147.db2.gz NWIMZBYPRNHYAB-ZUZCIYMTSA-N -1 3 369.385 2.550 20 5 FFBDHM CO[C@@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826145948 608415148 /nfs/dbraw/zinc/41/51/48/608415148.db2.gz NWIMZBYPRNHYAB-ZUZCIYMTSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H]1CC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 ZINC000824893052 608444823 /nfs/dbraw/zinc/44/48/23/608444823.db2.gz OVPCRSMJLJBEMT-NXEZZACHSA-N -1 3 369.385 2.691 20 5 FFBDHM C[C@@H]1CC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 ZINC000824893052 608444825 /nfs/dbraw/zinc/44/48/25/608444825.db2.gz OVPCRSMJLJBEMT-NXEZZACHSA-N -1 3 369.385 2.691 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(-c4nnn[n-]4)cc3F)c2)c1 ZINC000826499716 609313876 /nfs/dbraw/zinc/31/38/76/609313876.db2.gz UKVAPIXSJPLXTO-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(-c4nn[n-]n4)cc3F)c2)c1 ZINC000826499716 609313878 /nfs/dbraw/zinc/31/38/78/609313878.db2.gz UKVAPIXSJPLXTO-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM COc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826202138 609331258 /nfs/dbraw/zinc/33/12/58/609331258.db2.gz PJCFTLFAFUODSY-JTQLQIEISA-N -1 3 372.360 2.773 20 5 FFBDHM C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824906445 609576166 /nfs/dbraw/zinc/57/61/66/609576166.db2.gz BPICNZUWMMISET-WCBMZHEXSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824906445 609576169 /nfs/dbraw/zinc/57/61/69/609576169.db2.gz BPICNZUWMMISET-WCBMZHEXSA-N -1 3 356.308 2.942 20 5 FFBDHM CC(C)(C)c1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000125536326 728684696 /nfs/dbraw/zinc/68/46/96/728684696.db2.gz HXXAICFSFJBACG-UHFFFAOYSA-N -1 3 350.400 2.593 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(Cl)c1 ZINC000193980844 729496111 /nfs/dbraw/zinc/49/61/11/729496111.db2.gz VDUPDFKLNHCHFI-NSHDSACASA-N -1 3 352.799 2.866 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3)c(F)cc1[N+](=O)[O-] ZINC000907658326 736653205 /nfs/dbraw/zinc/65/32/05/736653205.db2.gz IKQHWYASLJEZKD-FGWVZKOKSA-N -1 3 360.432 2.747 20 5 FFBDHM Cc1cc(N[C@@H]2CCCN3CCSC[C@H]23)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910384891 737067251 /nfs/dbraw/zinc/06/72/51/737067251.db2.gz BEMZSXLPXUPXQF-ZIAGYGMSSA-N -1 3 351.428 2.593 20 5 FFBDHM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000770481059 737631300 /nfs/dbraw/zinc/63/13/00/737631300.db2.gz NLLJEBQLRCOYIF-ZETCQYMHSA-N -1 3 361.745 2.716 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCc2ccccc2)c(F)c1 ZINC000917859664 737780514 /nfs/dbraw/zinc/78/05/14/737780514.db2.gz UWBUGSOACVEEOG-UHFFFAOYSA-N -1 3 370.427 2.946 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000788218017 739219415 /nfs/dbraw/zinc/21/94/15/739219415.db2.gz XWNHYPIPNHRVDE-UHFFFAOYSA-N -1 3 357.731 2.957 20 5 FFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1 ZINC000800052142 740479115 /nfs/dbraw/zinc/47/91/15/740479115.db2.gz IMRGPEPLILMCOG-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823943102 743002315 /nfs/dbraw/zinc/00/23/15/743002315.db2.gz NEVUNUMZXIVEBG-CMDGGOBGSA-N -1 3 356.367 2.878 20 5 FFBDHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823943102 743002324 /nfs/dbraw/zinc/00/23/24/743002324.db2.gz NEVUNUMZXIVEBG-CMDGGOBGSA-N -1 3 356.367 2.878 20 5 FFBDHM C[C@H]1CC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824898363 743174305 /nfs/dbraw/zinc/17/43/05/743174305.db2.gz FDWBWUVDGAIXEA-YUMQZZPRSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@H]1CC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824898363 743174312 /nfs/dbraw/zinc/17/43/12/743174312.db2.gz FDWBWUVDGAIXEA-YUMQZZPRSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824898359 743174529 /nfs/dbraw/zinc/17/45/29/743174529.db2.gz FDWBWUVDGAIXEA-JGVFFNPUSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824898359 743174536 /nfs/dbraw/zinc/17/45/36/743174536.db2.gz FDWBWUVDGAIXEA-JGVFFNPUSA-N -1 3 350.766 2.803 20 5 FFBDHM CCn1ccnc1[C@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848591450 748968619 /nfs/dbraw/zinc/96/86/19/748968619.db2.gz MUHSTJBETUXDPA-JTQLQIEISA-N -1 3 354.313 2.660 20 5 FFBDHM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000848591742 748969363 /nfs/dbraw/zinc/96/93/63/748969363.db2.gz NWSGIPJJGKGCHH-JOYOIKCWSA-N -1 3 352.297 2.585 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1OC ZINC000014256452 845027078 /nfs/dbraw/zinc/02/70/78/845027078.db2.gz ABZPOKMHIWFMJZ-UHFFFAOYSA-N -1 3 356.331 2.552 20 5 FFBDHM COc1ccc([C@@H]2CN(Cc3ccc([O-])c(OC)c3[N+](=O)[O-])CCO2)cc1 ZINC000895851909 971010812 /nfs/dbraw/zinc/01/08/12/971010812.db2.gz ZIJANLYWXWBBRQ-KRWDZBQOSA-N -1 3 374.393 2.891 20 5 FFBDHM CCc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476893 945704746 /nfs/dbraw/zinc/70/47/46/945704746.db2.gz SYHHVMHVEYIQIX-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CCc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821476893 945704753 /nfs/dbraw/zinc/70/47/53/945704753.db2.gz SYHHVMHVEYIQIX-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc([N+](=O)[O-])cc1F ZINC000822936715 946222887 /nfs/dbraw/zinc/22/28/87/946222887.db2.gz XBOLSJSCJDMFMC-VURMDHGXSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc([N+](=O)[O-])cc1F ZINC000822936715 946222899 /nfs/dbraw/zinc/22/28/99/946222899.db2.gz XBOLSJSCJDMFMC-VURMDHGXSA-N -1 3 369.312 2.671 20 5 FFBDHM CC(C)(O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824172729 946606539 /nfs/dbraw/zinc/60/65/39/946606539.db2.gz QPVQCCSBXZNYMF-UHFFFAOYSA-N -1 3 368.397 2.552 20 5 FFBDHM CC(C)(O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824172729 946606552 /nfs/dbraw/zinc/60/65/52/946606552.db2.gz QPVQCCSBXZNYMF-UHFFFAOYSA-N -1 3 368.397 2.552 20 5 FFBDHM O=C([O-])[C@H]1CCCN(c2ccc(CNCCc3ccccc3[N+](=O)[O-])o2)C1 ZINC001594916650 954760983 /nfs/dbraw/zinc/76/09/83/954760983.db2.gz OSSGVQJWQDSZGC-HNNXBMFYSA-N -1 3 373.409 2.821 20 5 FFBDHM O=C([O-])[C@@H]1CCCN(c2ccc(CNCCc3ccccc3[N+](=O)[O-])o2)C1 ZINC001594916651 954761116 /nfs/dbraw/zinc/76/11/16/954761116.db2.gz OSSGVQJWQDSZGC-OAHLLOKOSA-N -1 3 373.409 2.821 20 5 FFBDHM C[C@@](CO)(Cc1ccccc1F)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592734223 979260065 /nfs/dbraw/zinc/26/00/65/979260065.db2.gz TXRQKPIQZVHZQY-SFHVURJKSA-N -1 3 362.357 2.515 20 5 FFBDHM COC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1[N+](=O)[O-] ZINC000764860740 984745960 /nfs/dbraw/zinc/74/59/60/984745960.db2.gz JKNGGQWZYBHQAD-UHFFFAOYSA-N -1 3 371.305 2.892 20 5 FFBDHM COC(=O)c1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1[N+](=O)[O-] ZINC000764860740 984745962 /nfs/dbraw/zinc/74/59/62/984745962.db2.gz JKNGGQWZYBHQAD-UHFFFAOYSA-N -1 3 371.305 2.892 20 5 FFBDHM COc1cc(COC(=O)c2cncc([O-])c2)c([N+](=O)[O-])cc1OC(F)F ZINC000731914931 998336856 /nfs/dbraw/zinc/33/68/56/998336856.db2.gz CCFHKIUVAICRSF-UHFFFAOYSA-N -1 3 370.264 2.662 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC001183455714 1002280293 /nfs/dbraw/zinc/28/02/93/1002280293.db2.gz WOPWOXWRTWUXRN-OAHLLOKOSA-N -1 3 359.348 2.855 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCSC2)c(Cl)c1 ZINC001193629451 1004530117 /nfs/dbraw/zinc/53/01/17/1004530117.db2.gz WNRKRVFQQGBQTO-VIFPVBQESA-N -1 3 350.849 2.670 20 5 FFBDHM CCOC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c2c1OCCO2 ZINC001201232519 1005180783 /nfs/dbraw/zinc/18/07/83/1005180783.db2.gz QUUHDHHKOFMWMI-UHFFFAOYSA-N -1 3 360.322 2.992 20 5 FFBDHM COc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])cc1C ZINC000820624518 1008352216 /nfs/dbraw/zinc/35/22/16/1008352216.db2.gz QISZMYNXIPUXQW-UHFFFAOYSA-N -1 3 371.393 2.580 20 5 FFBDHM C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(C(F)(F)F)n[n-]1 ZINC001179177105 1009280906 /nfs/dbraw/zinc/28/09/06/1009280906.db2.gz PECZXILZUWXSLA-LURJTMIESA-N -1 3 369.259 2.969 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3ccc(C(F)(F)F)cn3)no2)cc1[N+](=O)[O-] ZINC001212843777 1009543003 /nfs/dbraw/zinc/54/30/03/1009543003.db2.gz BBKNJQOELLVECG-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)[N-]OCCOc1ccccc1 ZINC001180649256 1009783398 /nfs/dbraw/zinc/78/33/98/1009783398.db2.gz QLOGYFONVXCXHH-UHFFFAOYSA-N -1 3 350.758 2.918 20 5 FFBDHM C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001217995923 1032939198 /nfs/dbraw/zinc/93/91/98/1032939198.db2.gz ZPLNITLTBOVDJL-HZMBPMFUSA-N -1 3 371.389 2.830 20 5 FFBDHM CCc1noc(-c2ccc(CCNc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)n1 ZINC001162389877 1028527762 /nfs/dbraw/zinc/52/77/62/1028527762.db2.gz HHCVSJPMBXWETM-UHFFFAOYSA-N -1 3 355.354 2.962 20 5 FFBDHM CC1(C)CCCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001155878051 1028953551 /nfs/dbraw/zinc/95/35/51/1028953551.db2.gz XMVFZRCLOCPHQO-UHFFFAOYSA-N -1 3 355.822 2.806 20 5 FFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001164321205 1029243361 /nfs/dbraw/zinc/24/33/61/1029243361.db2.gz HHWQUDBUPCOGMK-JTQLQIEISA-N -1 3 362.411 2.765 20 5 FFBDHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001535459974 1069796868 /nfs/dbraw/zinc/79/68/68/1069796868.db2.gz PEGCROMUQYYRLM-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM O=[N+]([O-])c1ccc([O-])cc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001225492054 1034277129 /nfs/dbraw/zinc/27/71/29/1034277129.db2.gz VELIDUNONZVJDA-KRWDZBQOSA-N -1 3 358.394 2.970 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3nccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC001225665955 1034358511 /nfs/dbraw/zinc/35/85/11/1034358511.db2.gz DMDVGZAXWCXJFU-WOPDTQHZSA-N -1 3 365.386 2.862 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2[n-]c(=S)nc3c2CCC3)C1 ZINC001226301178 1034620147 /nfs/dbraw/zinc/62/01/47/1034620147.db2.gz WIHQIIQMCKQEAJ-NSHDSACASA-N -1 3 358.423 2.820 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531725 1034724561 /nfs/dbraw/zinc/72/45/61/1034724561.db2.gz FXCLNGSMHHUXRP-SNVBAGLBSA-N -1 3 359.338 2.688 20 5 FFBDHM COC(=O)[C@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC001227095430 1034934172 /nfs/dbraw/zinc/93/41/72/1034934172.db2.gz JHURGKUHCAVILP-CQSZACIVSA-N -1 3 373.296 2.676 20 5 FFBDHM COc1cc(OC[C@H]2CCCO2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647258 1035656092 /nfs/dbraw/zinc/65/60/92/1035656092.db2.gz XOAXAOBYKIZKDO-SNVBAGLBSA-N -1 3 358.346 2.924 20 5 FFBDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227693890 1035677617 /nfs/dbraw/zinc/67/76/17/1035677617.db2.gz ZKYOHPLXMYMLCC-MGCOHNPYSA-N -1 3 363.374 2.643 20 5 FFBDHM CCOC(=O)[C@@H](C)[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227745848 1035711854 /nfs/dbraw/zinc/71/18/54/1035711854.db2.gz OTJURIHVGMOXEN-CPCISQLKSA-N -1 3 361.276 2.980 20 5 FFBDHM CCOC(=O)[C@@H](C)[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227745848 1035711870 /nfs/dbraw/zinc/71/18/70/1035711870.db2.gz OTJURIHVGMOXEN-CPCISQLKSA-N -1 3 361.276 2.980 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(OC3CCN(c4cc(Cl)ncn4)CC3)[n-]c2c1 ZINC001227746362 1035714280 /nfs/dbraw/zinc/71/42/80/1035714280.db2.gz RTSDSDWZGAQVNA-UHFFFAOYSA-N -1 3 374.788 2.962 20 5 FFBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCN(c4cc(Cl)ncn4)CC3)nc2c1 ZINC001227746362 1035714299 /nfs/dbraw/zinc/71/42/99/1035714299.db2.gz RTSDSDWZGAQVNA-UHFFFAOYSA-N -1 3 374.788 2.962 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1[N+](=O)[O-] ZINC001228685798 1036254970 /nfs/dbraw/zinc/25/49/70/1036254970.db2.gz KLIQFJQZZPHNMQ-MNOVXSKESA-N -1 3 371.365 2.730 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001228686212 1036257272 /nfs/dbraw/zinc/25/72/72/1036257272.db2.gz MOCDIIQIKURUHK-UTUOFQBUSA-N -1 3 365.386 2.781 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@H]1CCc2nccn2C1 ZINC001234878457 1037220282 /nfs/dbraw/zinc/22/02/82/1037220282.db2.gz VODOGDPKDSLHPL-VIFPVBQESA-N -1 3 354.160 2.653 20 5 FFBDHM CN1CCN(c2cccc3[nH]c(-c4ccc([N+](=O)[O-])cc4[O-])nc32)CC1 ZINC001251009559 1038896567 /nfs/dbraw/zinc/89/65/67/1038896567.db2.gz OGGCUYSSEVMZPB-UHFFFAOYSA-N -1 3 353.382 2.596 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCOC2CCCCCC2)c([N+](=O)[O-])s1 ZINC001209717337 1039155331 /nfs/dbraw/zinc/15/53/31/1039155331.db2.gz SHOIFXMZOSCVMR-UHFFFAOYSA-N -1 3 362.473 2.982 20 5 FFBDHM O=[N+]([O-])c1cccnc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2[n-]1 ZINC001251526289 1039167663 /nfs/dbraw/zinc/16/76/63/1039167663.db2.gz MCIBCXQCEOGGSS-UHFFFAOYSA-N -1 3 372.284 2.827 20 5 FFBDHM Cc1nc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(N2C[C@H](C)O[C@@H](C)C2)n1 ZINC001210394125 1039519217 /nfs/dbraw/zinc/51/92/17/1039519217.db2.gz OTHVLHHNONZBGK-QWRGUYRKSA-N -1 3 359.386 2.756 20 5 FFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001210631834 1039643645 /nfs/dbraw/zinc/64/36/45/1039643645.db2.gz KQAGLMLOASHEIQ-UWVGGRQHSA-N -1 3 350.487 2.917 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC23CCCCC3)c(F)cc1[N+](=O)[O-] ZINC001309921376 1043590451 /nfs/dbraw/zinc/59/04/51/1043590451.db2.gz QWBPGTPAAWRLOQ-OAHLLOKOSA-N -1 3 372.418 2.812 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\C2CC2)c(C(F)(F)F)c1 ZINC001327810982 1048050799 /nfs/dbraw/zinc/05/07/99/1048050799.db2.gz LXMGHDVTVCFEDU-UPHRSURJSA-N -1 3 350.318 2.858 20 5 FFBDHM CC(=O)c1ccc(N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001307209092 1052268919 /nfs/dbraw/zinc/26/89/19/1052268919.db2.gz SPGHUSDPPJZHMB-CQSZACIVSA-N -1 3 371.397 2.682 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])on1 ZINC001544062818 1071589015 /nfs/dbraw/zinc/58/90/15/1071589015.db2.gz SEQAEJGIHZPESB-UHFFFAOYSA-N -1 3 359.216 2.641 20 5 FFBDHM COc1cc(OC)nc(C(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC001360759352 1062016252 /nfs/dbraw/zinc/01/62/52/1062016252.db2.gz OCJJCPMBKUFQRC-UHFFFAOYSA-N -1 3 352.734 2.616 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2snnc2C(C)C)c(C)c([N+](=O)[O-])c1 ZINC001531627350 1062830847 /nfs/dbraw/zinc/83/08/47/1062830847.db2.gz MDDHNTOWXSMUOB-UHFFFAOYSA-N -1 3 364.383 2.917 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001442674501 1063555718 /nfs/dbraw/zinc/55/57/18/1063555718.db2.gz IEFLZRKHSZURKF-HUUCEWRRSA-N -1 3 350.338 2.517 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001442674501 1063555734 /nfs/dbraw/zinc/55/57/34/1063555734.db2.gz IEFLZRKHSZURKF-HUUCEWRRSA-N -1 3 350.338 2.517 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(OCC)[n-]1 ZINC001471300508 1064632250 /nfs/dbraw/zinc/63/22/50/1064632250.db2.gz LNYPMOWHRUJRCT-UHFFFAOYSA-N -1 3 351.388 2.866 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(OCC)n1 ZINC001471300508 1064632270 /nfs/dbraw/zinc/63/22/70/1064632270.db2.gz LNYPMOWHRUJRCT-UHFFFAOYSA-N -1 3 351.388 2.866 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(OCC)n[n-]1 ZINC001471300508 1064632277 /nfs/dbraw/zinc/63/22/77/1064632277.db2.gz LNYPMOWHRUJRCT-UHFFFAOYSA-N -1 3 351.388 2.866 20 5 FFBDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001578495381 1078482473 /nfs/dbraw/zinc/48/24/73/1078482473.db2.gz IRPJGTWECDEYKP-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001578495381 1078482479 /nfs/dbraw/zinc/48/24/79/1078482479.db2.gz IRPJGTWECDEYKP-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001579263174 1078604516 /nfs/dbraw/zinc/60/45/16/1078604516.db2.gz PRYBAGMOCZXCJK-UHFFFAOYSA-N -1 3 371.332 2.578 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001579263174 1078604520 /nfs/dbraw/zinc/60/45/20/1078604520.db2.gz PRYBAGMOCZXCJK-UHFFFAOYSA-N -1 3 371.332 2.578 20 5 FFBDHM COCCOc1ccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(C)c1 ZINC001579814307 1078688772 /nfs/dbraw/zinc/68/87/72/1078688772.db2.gz ACPKLVLHUYJGSJ-UHFFFAOYSA-N -1 3 370.369 2.852 20 5 FFBDHM COCCOc1ccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(C)c1 ZINC001579814307 1078688775 /nfs/dbraw/zinc/68/87/75/1078688775.db2.gz ACPKLVLHUYJGSJ-UHFFFAOYSA-N -1 3 370.369 2.852 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1OCc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001579937764 1078721761 /nfs/dbraw/zinc/72/17/61/1078721761.db2.gz WNVDBALLFNSDIR-UHFFFAOYSA-N -1 3 355.354 2.979 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1OCc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001579937764 1078721763 /nfs/dbraw/zinc/72/17/63/1078721763.db2.gz WNVDBALLFNSDIR-UHFFFAOYSA-N -1 3 355.354 2.979 20 5 FFBDHM C[C@H](OC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001580441144 1078804148 /nfs/dbraw/zinc/80/41/48/1078804148.db2.gz DBHSXZRYRCJTDE-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001580441144 1078804154 /nfs/dbraw/zinc/80/41/54/1078804154.db2.gz DBHSXZRYRCJTDE-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc(-c2nnn[n-]2)c1 ZINC001580984067 1078902875 /nfs/dbraw/zinc/90/28/75/1078902875.db2.gz PVPZGFGJUVSENK-JKSUJKDBSA-N -1 3 364.365 2.826 20 5 FFBDHM Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc(-c2nn[n-]n2)c1 ZINC001580984067 1078902883 /nfs/dbraw/zinc/90/28/83/1078902883.db2.gz PVPZGFGJUVSENK-JKSUJKDBSA-N -1 3 364.365 2.826 20 5 FFBDHM O=C(CSc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])Nc1ccccc1 ZINC001582133313 1079027296 /nfs/dbraw/zinc/02/72/96/1079027296.db2.gz YWDBLCNXUIEQJL-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(CSc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])Nc1ccccc1 ZINC001582133313 1079027303 /nfs/dbraw/zinc/02/73/03/1079027303.db2.gz YWDBLCNXUIEQJL-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1[N+](=O)[O-] ZINC001582302228 1079038608 /nfs/dbraw/zinc/03/86/08/1079038608.db2.gz COQRQSGTXXUTFV-OAHLLOKOSA-N -1 3 364.365 2.582 20 5 FFBDHM O=C(N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1[N+](=O)[O-] ZINC001582302228 1079038615 /nfs/dbraw/zinc/03/86/15/1079038615.db2.gz COQRQSGTXXUTFV-OAHLLOKOSA-N -1 3 364.365 2.582 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(CN2Cc3cccc(-c4nnn[n-]4)c3C2)c(F)c1 ZINC001582803819 1079110711 /nfs/dbraw/zinc/11/07/11/1079110711.db2.gz WBWZIXOBKCAHEX-UHFFFAOYSA-N -1 3 358.308 2.569 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(CN2Cc3cccc(-c4nn[n-]n4)c3C2)c(F)c1 ZINC001582803819 1079110719 /nfs/dbraw/zinc/11/07/19/1079110719.db2.gz WBWZIXOBKCAHEX-UHFFFAOYSA-N -1 3 358.308 2.569 20 5 FFBDHM CCOC(=O)c1noc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1C ZINC001585244109 1079443568 /nfs/dbraw/zinc/44/35/68/1079443568.db2.gz OBGFNTROKVBGRQ-UHFFFAOYSA-N -1 3 355.253 2.598 20 5 FFBDHM Cc1csc(CCC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])n1 ZINC001561207754 1076346959 /nfs/dbraw/zinc/34/69/59/1076346959.db2.gz XEAOMFDDYVOHMT-UHFFFAOYSA-N -1 3 361.470 2.641 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[n-]n1 ZINC001567159500 1077003086 /nfs/dbraw/zinc/00/30/86/1077003086.db2.gz DRPRLOXZHVSAFQ-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[n-]1 ZINC001567159500 1077003092 /nfs/dbraw/zinc/00/30/92/1077003092.db2.gz DRPRLOXZHVSAFQ-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CC(C)Oc1nc(NCc2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC001574342128 1077962971 /nfs/dbraw/zinc/96/29/71/1077962971.db2.gz LAQGKOXSLIIUAX-UHFFFAOYSA-N -1 3 361.387 2.631 20 5 FFBDHM CC(=O)c1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001588901040 1080248121 /nfs/dbraw/zinc/24/81/21/1080248121.db2.gz IRGVAHBUBFDFNW-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(=O)c1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001588901040 1080248129 /nfs/dbraw/zinc/24/81/29/1080248129.db2.gz IRGVAHBUBFDFNW-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001589293419 1080468556 /nfs/dbraw/zinc/46/85/56/1080468556.db2.gz XJGVXJYLJCTMFA-UHFFFAOYSA-N -1 3 353.386 2.747 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001589293419 1080468558 /nfs/dbraw/zinc/46/85/58/1080468558.db2.gz XJGVXJYLJCTMFA-UHFFFAOYSA-N -1 3 353.386 2.747 20 5 FFBDHM CC(C)c1ccc(C(=O)N(C)c2cc(-c3nnn[n-]3)ccn2)cc1[N+](=O)[O-] ZINC001589770742 1080724684 /nfs/dbraw/zinc/72/46/84/1080724684.db2.gz XGURPCHNPCZJAS-UHFFFAOYSA-N -1 3 367.369 2.570 20 5 FFBDHM CC(C)c1ccc(C(=O)N(C)c2cc(-c3nn[n-]n3)ccn2)cc1[N+](=O)[O-] ZINC001589770742 1080724690 /nfs/dbraw/zinc/72/46/90/1080724690.db2.gz XGURPCHNPCZJAS-UHFFFAOYSA-N -1 3 367.369 2.570 20 5 FFBDHM C[C@H](CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001589829173 1080781540 /nfs/dbraw/zinc/78/15/40/1080781540.db2.gz KOSJNFKPWJDDDR-LLVKDONJSA-N -1 3 353.386 2.963 20 5 FFBDHM C[C@H](CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001589829173 1080781551 /nfs/dbraw/zinc/78/15/51/1080781551.db2.gz KOSJNFKPWJDDDR-LLVKDONJSA-N -1 3 353.386 2.963 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589945571 1080888387 /nfs/dbraw/zinc/88/83/87/1080888387.db2.gz XYQFNMLDPHXPMK-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589945571 1080888396 /nfs/dbraw/zinc/88/83/96/1080888396.db2.gz XYQFNMLDPHXPMK-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589950106 1080892736 /nfs/dbraw/zinc/89/27/36/1080892736.db2.gz PPGIIAGEKWCRNS-SNVBAGLBSA-N -1 3 369.410 2.823 20 5 FFBDHM C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589950106 1080892748 /nfs/dbraw/zinc/89/27/48/1080892748.db2.gz PPGIIAGEKWCRNS-SNVBAGLBSA-N -1 3 369.410 2.823 20 5 FFBDHM C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590007552 1080934066 /nfs/dbraw/zinc/93/40/66/1080934066.db2.gz BAXIKCKEWCFJET-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590007552 1080934076 /nfs/dbraw/zinc/93/40/76/1080934076.db2.gz BAXIKCKEWCFJET-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001590043593 1080970611 /nfs/dbraw/zinc/97/06/11/1080970611.db2.gz JNENHVAVAHWBJJ-SNVBAGLBSA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001590043593 1080970614 /nfs/dbraw/zinc/97/06/14/1080970614.db2.gz JNENHVAVAHWBJJ-SNVBAGLBSA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590164129 1081063697 /nfs/dbraw/zinc/06/36/97/1081063697.db2.gz AZVLZYGBSVWEKQ-KCJUWKMLSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590213736 1081096393 /nfs/dbraw/zinc/09/63/93/1081096393.db2.gz JROYIYKFAATEPK-SMDDNHRTSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590213736 1081096401 /nfs/dbraw/zinc/09/64/01/1081096401.db2.gz JROYIYKFAATEPK-SMDDNHRTSA-N -1 3 351.370 2.552 20 5 FFBDHM CC(C)(CO)O[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000297258106 257807999 /nfs/dbraw/zinc/80/79/99/257807999.db2.gz QWNSAMNAEVBOGY-UHFFFAOYSA-N -1 3 360.366 2.606 20 5 FFBDHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000331204447 258179635 /nfs/dbraw/zinc/17/96/35/258179635.db2.gz OFGHHFVSHKYHFM-GXTWGEPZSA-N -1 3 374.484 2.946 20 5 FFBDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000409852702 512155566 /nfs/dbraw/zinc/15/55/66/512155566.db2.gz JVYNINSLFYFRCY-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000065794770 506366915 /nfs/dbraw/zinc/36/69/15/506366915.db2.gz NTPOWTJTFODRGB-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000409925762 512168572 /nfs/dbraw/zinc/16/85/72/512168572.db2.gz FMKBNPDRAPLDRK-GFCCVEGCSA-N -1 3 360.457 2.592 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000067433865 506878838 /nfs/dbraw/zinc/87/88/38/506878838.db2.gz GBYQXEZSHUJUFH-UONOGXRCSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccnc1OC(C)C ZINC000056068785 506924073 /nfs/dbraw/zinc/92/40/73/506924073.db2.gz VDHAUQDEBAMSET-UHFFFAOYSA-N -1 3 365.411 2.564 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)cc1 ZINC000014256516 506983572 /nfs/dbraw/zinc/98/35/72/506983572.db2.gz MSVMQCRPQTUNHL-UHFFFAOYSA-N -1 3 350.249 2.952 20 5 FFBDHM O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000021205879 507247022 /nfs/dbraw/zinc/24/70/22/507247022.db2.gz HGTAXXMTJPXCHU-UHFFFAOYSA-N -1 3 371.349 2.967 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000047542813 507354842 /nfs/dbraw/zinc/35/48/42/507354842.db2.gz NPJQUMHXJKOMQF-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047543166 507355736 /nfs/dbraw/zinc/35/57/36/507355736.db2.gz NZOTVTQSPUOUFB-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cn2c1 ZINC000060507484 507554986 /nfs/dbraw/zinc/55/49/86/507554986.db2.gz LTKJEZZSGMCJNQ-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM CCCc1nnc([N-]C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)s1 ZINC000026838715 507613271 /nfs/dbraw/zinc/61/32/71/507613271.db2.gz LZNVTTMLTUXBQU-UHFFFAOYSA-N -1 3 373.398 2.540 20 5 FFBDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000063629330 507753589 /nfs/dbraw/zinc/75/35/89/507753589.db2.gz OIUVKHLNYVGWGY-UHFFFAOYSA-N -1 3 365.411 2.566 20 5 FFBDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063629307 507753867 /nfs/dbraw/zinc/75/38/67/507753867.db2.gz RJPWWFCLHHLUMT-UHFFFAOYSA-N -1 3 365.411 2.566 20 5 FFBDHM O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063702540 507762052 /nfs/dbraw/zinc/76/20/52/507762052.db2.gz AHYVPTVIVKGTIY-MRXNPFEDSA-N -1 3 369.421 2.942 20 5 FFBDHM COC(=O)c1sc2[n-]c(Cc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000078316706 507859952 /nfs/dbraw/zinc/85/99/52/507859952.db2.gz DSWJMSJFXAPZLD-UHFFFAOYSA-N -1 3 359.363 2.579 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)Oc1ccccc1 ZINC000078705820 507898706 /nfs/dbraw/zinc/89/87/06/507898706.db2.gz UEMVMHCOGWOKIA-CYBMUJFWSA-N -1 3 350.396 2.649 20 5 FFBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(CN(C)C)c1 ZINC000073314493 507913311 /nfs/dbraw/zinc/91/33/11/507913311.db2.gz VBXQQDOHWMYIMJ-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000081187160 508146428 /nfs/dbraw/zinc/14/64/28/508146428.db2.gz PPJRZMMBDKDNEB-ZIAGYGMSSA-N -1 3 364.427 2.562 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000088780465 508384547 /nfs/dbraw/zinc/38/45/47/508384547.db2.gz UVPOZMIGELQAOW-UHFFFAOYSA-N -1 3 367.427 2.803 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c1C ZINC000127704320 508488630 /nfs/dbraw/zinc/48/86/30/508488630.db2.gz NFMMKWZLAHWTQL-GDBMZVCRSA-N -1 3 370.471 2.821 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000156875592 508490477 /nfs/dbraw/zinc/49/04/77/508490477.db2.gz CKOLCVCTVBUHAG-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000116454509 508516147 /nfs/dbraw/zinc/51/61/47/508516147.db2.gz QIPFPGCZYDWNPT-ZDUSSCGKSA-N -1 3 370.409 2.651 20 5 FFBDHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000117114296 508580283 /nfs/dbraw/zinc/58/02/83/508580283.db2.gz WZXMDWJPXMXBDL-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM O=C([N-]c1nc(-c2ccc3c(c2)CCO3)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000128916038 508659515 /nfs/dbraw/zinc/65/95/15/508659515.db2.gz QBJBWXSDUCSEQG-UHFFFAOYSA-N -1 3 357.351 2.629 20 5 FFBDHM CC(=O)Nc1ccc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)cc1 ZINC000159353215 508829613 /nfs/dbraw/zinc/82/96/13/508829613.db2.gz LWMNSQXZWSRFTG-UHFFFAOYSA-N -1 3 372.366 2.652 20 5 FFBDHM O=C([N-]OCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1Br ZINC000154869625 508872617 /nfs/dbraw/zinc/87/26/17/508872617.db2.gz WJWCXOWRIVOJCP-UHFFFAOYSA-N -1 3 357.082 2.971 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151569963 509045440 /nfs/dbraw/zinc/04/54/40/509045440.db2.gz HMAOPMVSTZQRNC-UHFFFAOYSA-N -1 3 366.171 2.696 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(F)cc1C ZINC000155843059 509080843 /nfs/dbraw/zinc/08/08/43/509080843.db2.gz QIESPPISEULOEU-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000127075610 509164890 /nfs/dbraw/zinc/16/48/90/509164890.db2.gz RZUCZTBKVXHREM-SSDOTTSWSA-N -1 3 361.470 2.812 20 5 FFBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000248572169 509372607 /nfs/dbraw/zinc/37/26/07/509372607.db2.gz SNITUXQCCSORRC-SNPRPXQTSA-N -1 3 372.381 2.863 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)cc1C ZINC000186162469 509553595 /nfs/dbraw/zinc/55/35/95/509553595.db2.gz SWDMQUVEJFJDMA-AWEZNQCLSA-N -1 3 356.444 2.839 20 5 FFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC000183091990 509591230 /nfs/dbraw/zinc/59/12/30/509591230.db2.gz KLHVPLGKTGIWEQ-VIFPVBQESA-N -1 3 359.404 2.847 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000180188011 509801252 /nfs/dbraw/zinc/80/12/52/509801252.db2.gz ZZKGYHJWKZDOSG-HNNXBMFYSA-N -1 3 372.349 2.539 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000266037591 510373747 /nfs/dbraw/zinc/37/37/47/510373747.db2.gz PAHCTUJKEIBAHP-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175119710 510491198 /nfs/dbraw/zinc/49/11/98/510491198.db2.gz GKRWHEAVCMAMFJ-SECBINFHSA-N -1 3 372.834 2.638 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c1C ZINC000184907492 510576777 /nfs/dbraw/zinc/57/67/77/510576777.db2.gz LHPJDHJGSFZSIT-UHFFFAOYSA-N -1 3 361.423 2.617 20 5 FFBDHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188406122 510750049 /nfs/dbraw/zinc/75/00/49/510750049.db2.gz HCGHSMRDMFJKHC-CQSZACIVSA-N -1 3 366.370 2.844 20 5 FFBDHM COc1ccc([N-]C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c([N+](=O)[O-])c1 ZINC000282690342 511074623 /nfs/dbraw/zinc/07/46/23/511074623.db2.gz RJWDHRBERWUSNA-UHFFFAOYSA-N -1 3 374.353 2.601 20 5 FFBDHM Cc1nc(C)c(CCC(=O)Nc2cccc([N+](=O)[O-])c2Cl)c(=O)[n-]1 ZINC000292293413 511541127 /nfs/dbraw/zinc/54/11/27/511541127.db2.gz MLHPRRXCCCTIDJ-UHFFFAOYSA-N -1 3 350.762 2.932 20 5 FFBDHM COCc1ncsc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000284591013 511783617 /nfs/dbraw/zinc/78/36/17/511783617.db2.gz GXZYXLUPNLESFN-UHFFFAOYSA-N -1 3 365.367 2.545 20 5 FFBDHM O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274908112 511983881 /nfs/dbraw/zinc/98/38/81/511983881.db2.gz SGVTXPKIVBWEFE-UHFFFAOYSA-N -1 3 370.365 2.574 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2 ZINC000381365239 512876072 /nfs/dbraw/zinc/87/60/72/512876072.db2.gz LFJFHTSGWNWZIA-UHFFFAOYSA-N -1 3 361.423 2.740 20 5 FFBDHM C[C@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382579221 512878012 /nfs/dbraw/zinc/87/80/12/512878012.db2.gz DUGLTHIUPBZSDP-AWEZNQCLSA-N -1 3 370.409 2.789 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000398049527 512954006 /nfs/dbraw/zinc/95/40/06/512954006.db2.gz CRVUMRCUPZTSFS-YOEHRIQHSA-N -1 3 369.421 2.941 20 5 FFBDHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440089059 513244549 /nfs/dbraw/zinc/24/45/49/513244549.db2.gz QPZXTCWEUVRRQD-LBPRGKRZSA-N -1 3 363.867 2.503 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000416475271 513790760 /nfs/dbraw/zinc/79/07/60/513790760.db2.gz IZUXTUMTSONLOR-UHFFFAOYSA-N -1 3 374.287 2.937 20 5 FFBDHM CC(=O)c1sc2[n-]c(Cn3cc([N+](=O)[O-])c(C4CC4)n3)nc(=O)c2c1C ZINC000436208918 513794612 /nfs/dbraw/zinc/79/46/12/513794612.db2.gz JYYYCAVOAFTECF-UHFFFAOYSA-N -1 3 373.394 2.526 20 5 FFBDHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416548792 513828329 /nfs/dbraw/zinc/82/83/29/513828329.db2.gz NPPGTBSZIPFAOF-GXSJLCMTSA-N -1 3 352.334 2.936 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c1C ZINC000431277618 513863386 /nfs/dbraw/zinc/86/33/86/513863386.db2.gz XGLLWKJGQFRANQ-UHFFFAOYSA-N -1 3 362.407 2.720 20 5 FFBDHM COc1cc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])ccc1[O-] ZINC000443117841 513876522 /nfs/dbraw/zinc/87/65/22/513876522.db2.gz GRLBDUONUDTPIQ-UHFFFAOYSA-N -1 3 350.758 2.935 20 5 FFBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451647025 513887357 /nfs/dbraw/zinc/88/73/57/513887357.db2.gz HKZWKLPCHOBQGY-JTQLQIEISA-N -1 3 370.349 2.539 20 5 FFBDHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436671230 513936614 /nfs/dbraw/zinc/93/66/14/513936614.db2.gz JNDVXTHUYZRJFR-QGZVFWFLSA-N -1 3 355.394 2.867 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ncccc2C)c1C ZINC000451806648 513991332 /nfs/dbraw/zinc/99/13/32/513991332.db2.gz FDIUMNFDGAORSJ-UHFFFAOYSA-N -1 3 363.439 2.826 20 5 FFBDHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436861589 514012932 /nfs/dbraw/zinc/01/29/32/514012932.db2.gz LLDPWJUQRHEBQH-QGZVFWFLSA-N -1 3 355.394 2.867 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436876002 514017691 /nfs/dbraw/zinc/01/76/91/514017691.db2.gz ZWDLVRQTOBVESC-KBXCAEBGSA-N -1 3 369.421 2.941 20 5 FFBDHM O=C(NCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000436890917 514022528 /nfs/dbraw/zinc/02/25/28/514022528.db2.gz DOIAIZXOFXDJQL-UHFFFAOYSA-N -1 3 370.287 2.556 20 5 FFBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000444213553 514156164 /nfs/dbraw/zinc/15/61/64/514156164.db2.gz NJEOPPVBCWETDV-WPRPVWTQSA-N -1 3 363.233 2.824 20 5 FFBDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000438245809 514337844 /nfs/dbraw/zinc/33/78/44/514337844.db2.gz JNZVFIBVNOKVQJ-UHFFFAOYSA-N -1 3 367.402 2.639 20 5 FFBDHM CC(C)Oc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)nc1 ZINC000444826088 514344307 /nfs/dbraw/zinc/34/43/07/514344307.db2.gz MHPSIBABCYSLKR-UHFFFAOYSA-N -1 3 367.365 2.841 20 5 FFBDHM COc1cc(CNCc2ncccc2[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000475335997 514626067 /nfs/dbraw/zinc/62/60/67/514626067.db2.gz NQETVEYLUJALNR-UHFFFAOYSA-N -1 3 369.324 2.638 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c1C ZINC000466552909 514688619 /nfs/dbraw/zinc/68/86/19/514688619.db2.gz WBCNFEXKOGPHNH-ZDUSSCGKSA-N -1 3 366.370 2.763 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(C)o1 ZINC000479922986 514778646 /nfs/dbraw/zinc/77/86/46/514778646.db2.gz XORHVDHBUJKMBW-CQSZACIVSA-N -1 3 368.411 2.861 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2nn[n-]c21 ZINC000502999133 514872162 /nfs/dbraw/zinc/87/21/62/514872162.db2.gz OPLQEIKPAUEQRJ-UHFFFAOYSA-N -1 3 357.345 2.758 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2[n-]nnc21 ZINC000502999133 514872171 /nfs/dbraw/zinc/87/21/71/514872171.db2.gz OPLQEIKPAUEQRJ-UHFFFAOYSA-N -1 3 357.345 2.758 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2n[n-]nc21 ZINC000502999133 514872177 /nfs/dbraw/zinc/87/21/77/514872177.db2.gz OPLQEIKPAUEQRJ-UHFFFAOYSA-N -1 3 357.345 2.758 20 5 FFBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)c1F ZINC000485149964 514937070 /nfs/dbraw/zinc/93/70/70/514937070.db2.gz HCNMBJHLZSEQCS-UHFFFAOYSA-N -1 3 351.265 2.615 20 5 FFBDHM COC1CCC(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000480693132 515046860 /nfs/dbraw/zinc/04/68/60/515046860.db2.gz JEMNSURMLOUZAE-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000480726326 515060063 /nfs/dbraw/zinc/06/00/63/515060063.db2.gz HBOQUJJHGFREON-KGLIPLIRSA-N -1 3 356.444 2.695 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000476599795 515123991 /nfs/dbraw/zinc/12/39/91/515123991.db2.gz BPMFIUJNULYPMA-NSHDSACASA-N -1 3 361.489 2.508 20 5 FFBDHM O=C(Cc1ccc2c(c1)CCO2)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499050656 515180133 /nfs/dbraw/zinc/18/01/33/515180133.db2.gz CUKRVUCVAIJSHF-UHFFFAOYSA-N -1 3 364.361 2.523 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C12CCC2 ZINC000481062707 515191597 /nfs/dbraw/zinc/19/15/97/515191597.db2.gz RPNNVHQUVBFPDY-KGLIPLIRSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])c1 ZINC000476980091 515276036 /nfs/dbraw/zinc/27/60/36/515276036.db2.gz MSUHPRSWTYTFKQ-AWEZNQCLSA-N -1 3 362.407 2.932 20 5 FFBDHM O=C(CCCc1ccc([O-])c(F)c1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000468321612 515310376 /nfs/dbraw/zinc/31/03/76/515310376.db2.gz UAZSGHFPVZWRAE-UHFFFAOYSA-N -1 3 361.373 2.991 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)cc1C ZINC000481488128 515344867 /nfs/dbraw/zinc/34/48/67/515344867.db2.gz AAKBRLRVEHCKLO-CYBMUJFWSA-N -1 3 358.460 2.677 20 5 FFBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477154216 515350916 /nfs/dbraw/zinc/35/09/16/515350916.db2.gz ZIFYEYYMIVJLTF-NWDGAFQWSA-N -1 3 370.427 2.613 20 5 FFBDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000491512990 515445665 /nfs/dbraw/zinc/44/56/65/515445665.db2.gz QIOZGNJWVWLJLM-WDEREUQCSA-N -1 3 360.407 2.990 20 5 FFBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491610248 515461618 /nfs/dbraw/zinc/46/16/18/515461618.db2.gz OVHFDVBSVXEISR-VIFPVBQESA-N -1 3 366.436 2.553 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000491720166 515465210 /nfs/dbraw/zinc/46/52/10/515465210.db2.gz MDMDSBDYAMXTFQ-URLYPYJESA-N -1 3 360.407 2.846 20 5 FFBDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])nn3C)s2)c1 ZINC000481784070 515466315 /nfs/dbraw/zinc/46/63/15/515466315.db2.gz RNBHXHXEYPTXCC-UHFFFAOYSA-N -1 3 358.383 2.716 20 5 FFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000492088172 515500648 /nfs/dbraw/zinc/50/06/48/515500648.db2.gz VLWNHYYHXVEFPQ-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000510363007 515516086 /nfs/dbraw/zinc/51/60/86/515516086.db2.gz JWPZDOOHQRRIEJ-GHMZBOCLSA-N -1 3 373.456 2.657 20 5 FFBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000486631725 515571123 /nfs/dbraw/zinc/57/11/23/515571123.db2.gz QLUFYRBWQXQNQD-SFYZADRCSA-N -1 3 373.460 2.636 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c([N+](=O)[O-])c1 ZINC000486691968 515597411 /nfs/dbraw/zinc/59/74/11/515597411.db2.gz WGODEMAMWQCSSS-IIDMSEBBSA-N -1 3 358.419 2.767 20 5 FFBDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000473480285 515628986 /nfs/dbraw/zinc/62/89/86/515628986.db2.gz MHMLVSKNKAFWSH-UHFFFAOYSA-N -1 3 370.358 2.663 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1 ZINC000506250507 515827956 /nfs/dbraw/zinc/82/79/56/515827956.db2.gz SSPGCHKCOYZART-NSHDSACASA-N -1 3 370.814 2.994 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000483156262 515956621 /nfs/dbraw/zinc/95/66/21/515956621.db2.gz XZDLDHXVIKFKGR-QMMMGPOBSA-N -1 3 372.307 2.601 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000483156262 515956630 /nfs/dbraw/zinc/95/66/30/515956630.db2.gz XZDLDHXVIKFKGR-QMMMGPOBSA-N -1 3 372.307 2.601 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000483156262 515956638 /nfs/dbraw/zinc/95/66/38/515956638.db2.gz XZDLDHXVIKFKGR-QMMMGPOBSA-N -1 3 372.307 2.601 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000479127618 516069687 /nfs/dbraw/zinc/06/96/87/516069687.db2.gz DJVODONGDHOPHD-LBPRGKRZSA-N -1 3 352.334 2.913 20 5 FFBDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507311891 516167520 /nfs/dbraw/zinc/16/75/20/516167520.db2.gz IENAKAVPXWOCGG-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000479405044 516184010 /nfs/dbraw/zinc/18/40/10/516184010.db2.gz HBHDHBZBQDBQGI-OCCSQVGLSA-N -1 3 356.444 2.775 20 5 FFBDHM COCc1nocc1C(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000488347230 516202410 /nfs/dbraw/zinc/20/24/10/516202410.db2.gz KZRCYGDJZJDDHV-UHFFFAOYSA-N -1 3 356.132 2.744 20 5 FFBDHM O=C1[C@H]([N-]c2ncc([N+](=O)[O-])s2)CN1c1ccc(Br)cc1 ZINC000488716278 516292935 /nfs/dbraw/zinc/29/29/35/516292935.db2.gz QROWDGBYSASHGR-SECBINFHSA-N -1 3 369.200 2.641 20 5 FFBDHM CNC(=O)Nc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000561170911 516423576 /nfs/dbraw/zinc/42/35/76/516423576.db2.gz WFGPVDLFXSDJRL-UHFFFAOYSA-N -1 3 372.316 2.614 20 5 FFBDHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000540213063 516477487 /nfs/dbraw/zinc/47/74/87/516477487.db2.gz IQTIDLJXFYXBHR-LLVKDONJSA-N -1 3 365.411 2.600 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000561382102 516554226 /nfs/dbraw/zinc/55/42/26/516554226.db2.gz XBARUTDYARWWFN-JTQLQIEISA-N -1 3 368.798 2.703 20 5 FFBDHM C[C@H]1CCC[C@H](OCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000524296525 516688027 /nfs/dbraw/zinc/68/80/27/516688027.db2.gz KBGJHITUTSCMOD-WFASDCNBSA-N -1 3 358.398 2.941 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000536552782 516820524 /nfs/dbraw/zinc/82/05/24/516820524.db2.gz IFXRKZCBTWGADR-UHFFFAOYSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000544696672 516881610 /nfs/dbraw/zinc/88/16/10/516881610.db2.gz AMQDLDYGVLHRKD-UHFFFAOYSA-N -1 3 365.411 2.520 20 5 FFBDHM CC(=O)c1cccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1[O-] ZINC000552069169 517061397 /nfs/dbraw/zinc/06/13/97/517061397.db2.gz GCYPVFAKXHJSJN-UHFFFAOYSA-N -1 3 366.333 2.941 20 5 FFBDHM O=C([N-]c1nc(-c2ccc3c(c2)CCO3)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000548742340 517183211 /nfs/dbraw/zinc/18/32/11/517183211.db2.gz ZPTYHKKMZAWLDN-UHFFFAOYSA-N -1 3 357.351 2.629 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccccc1 ZINC000541815055 517229242 /nfs/dbraw/zinc/22/92/42/517229242.db2.gz YKLMQJVMRCJEAC-OAHLLOKOSA-N -1 3 364.423 2.878 20 5 FFBDHM CCn1cc(S(=O)(=O)[N-]c2c(Cl)cccc2Cl)c([N+](=O)[O-])n1 ZINC000542101963 517384600 /nfs/dbraw/zinc/38/46/00/517384600.db2.gz HSYMFSMNRGQKNZ-UHFFFAOYSA-N -1 3 365.198 2.919 20 5 FFBDHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000557080352 517840339 /nfs/dbraw/zinc/84/03/39/517840339.db2.gz WHQQHJINUVREPN-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000539383489 518020000 /nfs/dbraw/zinc/02/00/00/518020000.db2.gz ARXSSAJHPKKABA-AQUOVQTQSA-N -1 3 362.835 2.586 20 5 FFBDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000522435561 518107082 /nfs/dbraw/zinc/10/70/82/518107082.db2.gz WUYJBAPKJHXHJL-CQSZACIVSA-N -1 3 373.450 2.667 20 5 FFBDHM COc1ccc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000517381676 518134321 /nfs/dbraw/zinc/13/43/21/518134321.db2.gz NTKSKHXNOJIOFM-LJQANCHMSA-N -1 3 356.378 2.832 20 5 FFBDHM O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000569635806 518213963 /nfs/dbraw/zinc/21/39/63/518213963.db2.gz ICQZYVVLLFVOKI-UHFFFAOYSA-N -1 3 368.737 2.881 20 5 FFBDHM CN(CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000576469786 518608125 /nfs/dbraw/zinc/60/81/25/518608125.db2.gz UPWSDQFASFDXFJ-UHFFFAOYSA-N -1 3 361.373 2.905 20 5 FFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000573401043 518646323 /nfs/dbraw/zinc/64/63/23/518646323.db2.gz ITSCPXYGAHHUAF-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000567739292 518685460 /nfs/dbraw/zinc/68/54/60/518685460.db2.gz IXHBSYWXYYGTRF-BLLLJJGKSA-N -1 3 370.409 2.929 20 5 FFBDHM Cc1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565037986 518756624 /nfs/dbraw/zinc/75/66/24/518756624.db2.gz GXGSFMUCVCHKAY-ZIAGYGMSSA-N -1 3 365.430 2.903 20 5 FFBDHM COc1cc(CNC[C@@H]2CSc3ccccc3O2)c([N+](=O)[O-])cc1[O-] ZINC000568749579 519196475 /nfs/dbraw/zinc/19/64/75/519196475.db2.gz QUGQGCLUJRZNOR-GFCCVEGCSA-N -1 3 362.407 2.952 20 5 FFBDHM Cc1cnc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000594476197 519987681 /nfs/dbraw/zinc/98/76/81/519987681.db2.gz GCECTXBZGZKGRW-UHFFFAOYSA-N -1 3 369.830 2.781 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)cc1C ZINC000594483932 519992892 /nfs/dbraw/zinc/99/28/92/519992892.db2.gz LFRNTHYRIAXOME-LSDHHAIUSA-N -1 3 367.471 2.507 20 5 FFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758714 520138969 /nfs/dbraw/zinc/13/89/69/520138969.db2.gz LQFIFGRNCFMLFS-LLVKDONJSA-N -1 3 367.427 2.625 20 5 FFBDHM CCSCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594780122 520154566 /nfs/dbraw/zinc/15/45/66/520154566.db2.gz FZMRUWSGTBPFAJ-UHFFFAOYSA-N -1 3 355.441 2.565 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccn1 ZINC000609197310 520228223 /nfs/dbraw/zinc/22/82/23/520228223.db2.gz PNKHNJICWUDDPQ-CQSZACIVSA-N -1 3 365.411 2.818 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000595360601 520429226 /nfs/dbraw/zinc/42/92/26/520429226.db2.gz ILRDAOWZPKOIHZ-UHFFFAOYSA-N -1 3 358.391 2.600 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F ZINC000595418860 520457773 /nfs/dbraw/zinc/45/77/73/520457773.db2.gz UDRJGLDHGOWJSK-UHFFFAOYSA-N -1 3 370.349 2.860 20 5 FFBDHM CC(C)n1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000610006085 520502855 /nfs/dbraw/zinc/50/28/55/520502855.db2.gz BQCQDOWIFLISTM-UHFFFAOYSA-N -1 3 358.807 2.504 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000613474197 520519918 /nfs/dbraw/zinc/51/99/18/520519918.db2.gz NDZCEXYCFMVUJY-AWEZNQCLSA-N -1 3 368.436 2.557 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCSCC(F)(F)F)c([N+](=O)[O-])s1 ZINC000601383195 520767631 /nfs/dbraw/zinc/76/76/31/520767631.db2.gz FXUQAISSOFPYOX-UHFFFAOYSA-N -1 3 364.392 2.539 20 5 FFBDHM COc1cc(CNC[C@](C)(C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000593333336 520916845 /nfs/dbraw/zinc/91/68/45/520916845.db2.gz ULKAVVFXVKKWPP-IBGZPJMESA-N -1 3 374.393 2.744 20 5 FFBDHM COC(=O)c1ccccc1CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596238682 520988110 /nfs/dbraw/zinc/98/81/10/520988110.db2.gz XQUKUTWDADPSQB-UHFFFAOYSA-N -1 3 371.393 2.941 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)nc1 ZINC000593586973 521092694 /nfs/dbraw/zinc/09/26/94/521092694.db2.gz VSIGWKFEKDGSQD-GJZGRUSLSA-N -1 3 361.423 2.995 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000619484833 521593051 /nfs/dbraw/zinc/59/30/51/521593051.db2.gz HJKJBHILYAVMFP-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000619497653 521598049 /nfs/dbraw/zinc/59/80/49/521598049.db2.gz VJQQXOJYILJBIN-UHFFFAOYSA-N -1 3 362.407 2.657 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)cc1C ZINC000619714773 521835102 /nfs/dbraw/zinc/83/51/02/521835102.db2.gz YLBUTPZLWHOXNK-MRXNPFEDSA-N -1 3 368.455 2.839 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000490945911 561440816 /nfs/dbraw/zinc/44/08/16/561440816.db2.gz ZLJGCAIZLJJNKW-UHFFFAOYSA-N -1 3 358.326 2.904 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000473847462 561059051 /nfs/dbraw/zinc/05/90/51/561059051.db2.gz CPQUSXYUALICDY-CQSZACIVSA-N -1 3 353.338 2.970 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000737032387 598938049 /nfs/dbraw/zinc/93/80/49/598938049.db2.gz KSCSTYOHZZDUKM-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000737032387 598938051 /nfs/dbraw/zinc/93/80/51/598938051.db2.gz KSCSTYOHZZDUKM-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820774893 599050244 /nfs/dbraw/zinc/05/02/44/599050244.db2.gz GUVSYFPKGXDWPH-DOMZBBRYSA-N -1 3 365.397 2.800 20 5 FFBDHM C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820774893 599050246 /nfs/dbraw/zinc/05/02/46/599050246.db2.gz GUVSYFPKGXDWPH-DOMZBBRYSA-N -1 3 365.397 2.800 20 5 FFBDHM O=c1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccc2[nH]1 ZINC000738379398 599120285 /nfs/dbraw/zinc/12/02/85/599120285.db2.gz HTPRMRSIKLROKH-UHFFFAOYSA-N -1 3 363.337 2.641 20 5 FFBDHM O=c1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccc2[nH]1 ZINC000738379398 599120287 /nfs/dbraw/zinc/12/02/87/599120287.db2.gz HTPRMRSIKLROKH-UHFFFAOYSA-N -1 3 363.337 2.641 20 5 FFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000736626387 599178997 /nfs/dbraw/zinc/17/89/97/599178997.db2.gz HHRAWWBMSACMGC-UHFFFAOYSA-N -1 3 369.337 2.701 20 5 FFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000736626387 599178999 /nfs/dbraw/zinc/17/89/99/599178999.db2.gz HHRAWWBMSACMGC-UHFFFAOYSA-N -1 3 369.337 2.701 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC000738370829 598387293 /nfs/dbraw/zinc/38/72/93/598387293.db2.gz QRDAPLKQVRTHAO-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(F)cc2F)c(-c2nn[n-]n2)c1 ZINC000738370829 598387294 /nfs/dbraw/zinc/38/72/94/598387294.db2.gz QRDAPLKQVRTHAO-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370162 598459599 /nfs/dbraw/zinc/45/95/99/598459599.db2.gz RFGBSCOTWGGLQT-AWEZNQCLSA-N -1 3 365.397 2.944 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370162 598459601 /nfs/dbraw/zinc/45/96/01/598459601.db2.gz RFGBSCOTWGGLQT-AWEZNQCLSA-N -1 3 365.397 2.944 20 5 FFBDHM CC(C)COc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735843885 598499039 /nfs/dbraw/zinc/49/90/39/598499039.db2.gz CXZWVNLXYGCQEF-UHFFFAOYSA-N -1 3 355.358 2.948 20 5 FFBDHM CC(C)COc1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735843885 598499040 /nfs/dbraw/zinc/49/90/40/598499040.db2.gz CXZWVNLXYGCQEF-UHFFFAOYSA-N -1 3 355.358 2.948 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(Sc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738373405 598594200 /nfs/dbraw/zinc/59/42/00/598594200.db2.gz BVSJGXZACKDRCN-UHFFFAOYSA-N -1 3 369.410 2.907 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(Sc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738373405 598594202 /nfs/dbraw/zinc/59/42/02/598594202.db2.gz BVSJGXZACKDRCN-UHFFFAOYSA-N -1 3 369.410 2.907 20 5 FFBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736507533 599313180 /nfs/dbraw/zinc/31/31/80/599313180.db2.gz DXPWVWNFYUTFDX-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736507533 599313181 /nfs/dbraw/zinc/31/31/81/599313181.db2.gz DXPWVWNFYUTFDX-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM Cc1ccccc1OCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822366521 599339953 /nfs/dbraw/zinc/33/99/53/599339953.db2.gz LLJRFTBNYADKCA-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1ccccc1OCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822366521 599339955 /nfs/dbraw/zinc/33/99/55/599339955.db2.gz LLJRFTBNYADKCA-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1cccc([N+](=O)[O-])c1 ZINC000822337656 599501739 /nfs/dbraw/zinc/50/17/39/599501739.db2.gz ZYXRZQJKZVKOBO-UHFFFAOYSA-N -1 3 361.365 2.666 20 5 FFBDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1cccc([N+](=O)[O-])c1 ZINC000822337656 599501742 /nfs/dbraw/zinc/50/17/42/599501742.db2.gz ZYXRZQJKZVKOBO-UHFFFAOYSA-N -1 3 361.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820396383 599544184 /nfs/dbraw/zinc/54/41/84/599544184.db2.gz FUYADWHAFFPPKY-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820396383 599544186 /nfs/dbraw/zinc/54/41/86/599544186.db2.gz FUYADWHAFFPPKY-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM COc1ccc([C@@H](C)CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821777951 599589089 /nfs/dbraw/zinc/58/90/89/599589089.db2.gz PMFQVPDSRWNQPK-NSHDSACASA-N -1 3 369.385 2.784 20 5 FFBDHM COc1ccc([C@@H](C)CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821777951 599589092 /nfs/dbraw/zinc/58/90/92/599589092.db2.gz PMFQVPDSRWNQPK-NSHDSACASA-N -1 3 369.385 2.784 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826253979 607408751 /nfs/dbraw/zinc/40/87/51/607408751.db2.gz NSJIFWQNICCNIA-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000826253979 607408753 /nfs/dbraw/zinc/40/87/53/607408753.db2.gz NSJIFWQNICCNIA-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM C[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000736600435 600205942 /nfs/dbraw/zinc/20/59/42/600205942.db2.gz MTLXVEWLEVNUJC-ZDUSSCGKSA-N -1 3 371.393 2.543 20 5 FFBDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826054945 601202720 /nfs/dbraw/zinc/20/27/20/601202720.db2.gz SSSVCTMDXWDRMU-SJKOYZFVSA-N -1 3 357.366 2.585 20 5 FFBDHM Cc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826306595 607525159 /nfs/dbraw/zinc/52/51/59/607525159.db2.gz FHYBTFASQFJLBH-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826306595 607525161 /nfs/dbraw/zinc/52/51/61/607525161.db2.gz FHYBTFASQFJLBH-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826164429 607559237 /nfs/dbraw/zinc/55/92/37/607559237.db2.gz ZPLZVLGXCXBFFF-UHFFFAOYSA-N -1 3 370.369 2.542 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826164429 607559238 /nfs/dbraw/zinc/55/92/38/607559238.db2.gz ZPLZVLGXCXBFFF-UHFFFAOYSA-N -1 3 370.369 2.542 20 5 FFBDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834103158 605819096 /nfs/dbraw/zinc/81/90/96/605819096.db2.gz AAFNIYLQKORALE-BRWVUGGUSA-N -1 3 363.414 2.625 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823647622 606093845 /nfs/dbraw/zinc/09/38/45/606093845.db2.gz NHMDPNLDFXWIME-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823647622 606093850 /nfs/dbraw/zinc/09/38/50/606093850.db2.gz NHMDPNLDFXWIME-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM CCc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821476905 606263400 /nfs/dbraw/zinc/26/34/00/606263400.db2.gz UKARRUJFNZEXRA-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CCc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821476905 606263402 /nfs/dbraw/zinc/26/34/02/606263402.db2.gz UKARRUJFNZEXRA-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CC(C)[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820047359 606725612 /nfs/dbraw/zinc/72/56/12/606725612.db2.gz XXRVIPFOLURMIO-LLVKDONJSA-N -1 3 353.386 2.805 20 5 FFBDHM CC(C)[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820047359 606725614 /nfs/dbraw/zinc/72/56/14/606725614.db2.gz XXRVIPFOLURMIO-LLVKDONJSA-N -1 3 353.386 2.805 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2COc3ccc(Cl)cc32)c(-c2nnn[n-]2)c1 ZINC000823640138 606790535 /nfs/dbraw/zinc/79/05/35/606790535.db2.gz UZLXVQULHNBTAB-CYBMUJFWSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2COc3ccc(Cl)cc32)c(-c2nn[n-]n2)c1 ZINC000823640138 606790537 /nfs/dbraw/zinc/79/05/37/606790537.db2.gz UZLXVQULHNBTAB-CYBMUJFWSA-N -1 3 358.745 2.974 20 5 FFBDHM Cc1ccccc1CC1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000822356217 606945005 /nfs/dbraw/zinc/94/50/05/606945005.db2.gz NMTBAGQCHPIIPX-UHFFFAOYSA-N -1 3 350.382 2.762 20 5 FFBDHM Cc1ccccc1CC1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000822356217 606945006 /nfs/dbraw/zinc/94/50/06/606945006.db2.gz NMTBAGQCHPIIPX-UHFFFAOYSA-N -1 3 350.382 2.762 20 5 FFBDHM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570819 606959157 /nfs/dbraw/zinc/95/91/57/606959157.db2.gz MPPWKHMIWPOFGN-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821570819 606959158 /nfs/dbraw/zinc/95/91/58/606959158.db2.gz MPPWKHMIWPOFGN-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM Cc1nn(CCOc2ccc(-c3nn[n-]n3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000822500682 606984906 /nfs/dbraw/zinc/98/49/06/606984906.db2.gz BFQTYZADVVJYCK-UHFFFAOYSA-N -1 3 365.353 2.512 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822333133 606992094 /nfs/dbraw/zinc/99/20/94/606992094.db2.gz XZGVIVUHFGEECI-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822333133 606992096 /nfs/dbraw/zinc/99/20/96/606992096.db2.gz XZGVIVUHFGEECI-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000822182859 607081134 /nfs/dbraw/zinc/08/11/34/607081134.db2.gz BDAGQEGFJXLPMA-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000822182859 607081136 /nfs/dbraw/zinc/08/11/36/607081136.db2.gz BDAGQEGFJXLPMA-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000821304875 607100977 /nfs/dbraw/zinc/10/09/77/607100977.db2.gz SSFDLCJVAKMYJX-UHFFFAOYSA-N -1 3 367.369 2.767 20 5 FFBDHM C[C@H](N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1(C)CC1 ZINC000824465283 608123641 /nfs/dbraw/zinc/12/36/41/608123641.db2.gz NTLHQJZIXWZXTP-JTQLQIEISA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@H](N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1(C)CC1 ZINC000824465283 608123642 /nfs/dbraw/zinc/12/36/42/608123642.db2.gz NTLHQJZIXWZXTP-JTQLQIEISA-N -1 3 353.386 2.948 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825830556 608154948 /nfs/dbraw/zinc/15/49/48/608154948.db2.gz VWTVCPBJFKVZDQ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825830556 608154949 /nfs/dbraw/zinc/15/49/49/608154949.db2.gz VWTVCPBJFKVZDQ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM C[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824723271 608183334 /nfs/dbraw/zinc/18/33/34/608183334.db2.gz ONHALDJGIMQDRH-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824723271 608183335 /nfs/dbraw/zinc/18/33/35/608183335.db2.gz ONHALDJGIMQDRH-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3cccc(-c4nnn[n-]4)c3F)c2)cc1 ZINC000826498220 608397879 /nfs/dbraw/zinc/39/78/79/608397879.db2.gz LSDNOMHOCMTWAJ-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3cccc(-c4nn[n-]n4)c3F)c2)cc1 ZINC000826498220 608397881 /nfs/dbraw/zinc/39/78/81/608397881.db2.gz LSDNOMHOCMTWAJ-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000826241513 608495391 /nfs/dbraw/zinc/49/53/91/608495391.db2.gz GHDVTPDKQQUWTD-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1c(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000826241513 608495393 /nfs/dbraw/zinc/49/53/93/608495393.db2.gz GHDVTPDKQQUWTD-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000826472882 608574882 /nfs/dbraw/zinc/57/48/82/608574882.db2.gz APPJCCQILCVFES-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000826472882 608574884 /nfs/dbraw/zinc/57/48/84/608574884.db2.gz APPJCCQILCVFES-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826212310 609141491 /nfs/dbraw/zinc/14/14/91/609141491.db2.gz MNZVUSMJNBONIA-SNVBAGLBSA-N -1 3 372.360 2.773 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826212310 609141492 /nfs/dbraw/zinc/14/14/92/609141492.db2.gz MNZVUSMJNBONIA-SNVBAGLBSA-N -1 3 372.360 2.773 20 5 FFBDHM Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826270155 609243962 /nfs/dbraw/zinc/24/39/62/609243962.db2.gz NQIZFZFOAWJKQN-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826270155 609243963 /nfs/dbraw/zinc/24/39/63/609243963.db2.gz NQIZFZFOAWJKQN-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM COc1ccc2c(c1)CC[C@@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000826212657 609590702 /nfs/dbraw/zinc/59/07/02/609590702.db2.gz XAORBJLXKQUSAU-CQSZACIVSA-N -1 3 366.381 2.753 20 5 FFBDHM COc1ccc2c(c1)CC[C@@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000826212657 609590703 /nfs/dbraw/zinc/59/07/03/609590703.db2.gz XAORBJLXKQUSAU-CQSZACIVSA-N -1 3 366.381 2.753 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122739166 728651177 /nfs/dbraw/zinc/65/11/77/728651177.db2.gz BDHOZHCVUJHANQ-NHYWBVRUSA-N -1 3 368.386 2.524 20 5 FFBDHM CC[C@@H](C)c1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000125572154 728685179 /nfs/dbraw/zinc/68/51/79/728685179.db2.gz OJILSPRJYCBIKM-LLVKDONJSA-N -1 3 350.400 2.809 20 5 FFBDHM COc1cccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1F ZINC000769890669 737579461 /nfs/dbraw/zinc/57/94/61/737579461.db2.gz WLJVFYFRVNARCT-UHFFFAOYSA-N -1 3 354.359 2.727 20 5 FFBDHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000778031984 738345757 /nfs/dbraw/zinc/34/57/57/738345757.db2.gz IIKWPVWHWBOSJW-GFCCVEGCSA-N -1 3 358.341 2.781 20 5 FFBDHM O=C(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)OC1CCCCC1 ZINC000778304592 738370771 /nfs/dbraw/zinc/37/07/71/738370771.db2.gz DNPARSGITHCCDZ-UHFFFAOYSA-N -1 3 356.325 2.679 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccc(Cl)cc3C2)c(F)c1 ZINC000800157936 740493918 /nfs/dbraw/zinc/49/39/18/740493918.db2.gz UBASENQRJYWTLV-GFCCVEGCSA-N -1 3 370.789 2.833 20 5 FFBDHM O=[N+]([O-])c1ccc([C@@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826498350 743389029 /nfs/dbraw/zinc/38/90/29/743389029.db2.gz QUXCRZPWGSJDBI-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc([C@@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826498350 743389035 /nfs/dbraw/zinc/38/90/35/743389035.db2.gz QUXCRZPWGSJDBI-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cccc([N+](=O)[O-])c1Br ZINC000839440460 746828385 /nfs/dbraw/zinc/82/83/85/746828385.db2.gz UODOPQNXRDUGGG-UHFFFAOYSA-N -1 3 366.175 2.537 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC1SCCS1 ZINC000851845698 749701601 /nfs/dbraw/zinc/70/16/01/749701601.db2.gz MGIZJOULXAVKRL-UHFFFAOYSA-N -1 3 368.889 2.723 20 5 FFBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000853327892 750048838 /nfs/dbraw/zinc/04/88/38/750048838.db2.gz FZEPZONKDQVDPY-GHMZBOCLSA-N -1 3 352.391 2.530 20 5 FFBDHM C[C@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1Cc1ccccc1 ZINC000382043274 970976547 /nfs/dbraw/zinc/97/65/47/970976547.db2.gz UUXBQRSPWUMLCH-XJKSGUPXSA-N -1 3 355.394 2.693 20 5 FFBDHM CC(C)(O)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824173324 946610535 /nfs/dbraw/zinc/61/05/35/946610535.db2.gz XIADRYHHSLXZOZ-UHFFFAOYSA-N -1 3 368.397 2.552 20 5 FFBDHM CC(C)(O)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824173324 946610542 /nfs/dbraw/zinc/61/05/42/946610542.db2.gz XIADRYHHSLXZOZ-UHFFFAOYSA-N -1 3 368.397 2.552 20 5 FFBDHM COc1ccc(C(=O)[O-])c2c1CN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000872166457 980062544 /nfs/dbraw/zinc/06/25/44/980062544.db2.gz JEJIOBGZDJJVJA-UHFFFAOYSA-N -1 3 356.378 2.902 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC001128881883 989966876 /nfs/dbraw/zinc/96/68/76/989966876.db2.gz QYYNMFANZXLGDT-UHFFFAOYSA-N -1 3 350.203 2.878 20 5 FFBDHM Cc1nc2cc(OC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc2n1C ZINC001129144876 990438554 /nfs/dbraw/zinc/43/85/54/990438554.db2.gz SUEZKTAXSMOOCE-UHFFFAOYSA-N -1 3 351.322 2.885 20 5 FFBDHM COc1cccc2c(C(=O)OCCOc3ccccc3[N+](=O)[O-])n[n-]c21 ZINC000808672944 994213224 /nfs/dbraw/zinc/21/32/24/994213224.db2.gz HSXDAQLESIKPIA-UHFFFAOYSA-N -1 3 357.322 2.716 20 5 FFBDHM COc1cccc2c(C(=O)OCCOc3ccccc3[N+](=O)[O-])[n-]nc21 ZINC000808672944 994213233 /nfs/dbraw/zinc/21/32/33/994213233.db2.gz HSXDAQLESIKPIA-UHFFFAOYSA-N -1 3 357.322 2.716 20 5 FFBDHM CCOC(=O)/C(=C\c1cc(OC)c([O-])c(OC)c1)c1ccc([N+](=O)[O-])cn1 ZINC000791428923 1002709913 /nfs/dbraw/zinc/70/99/13/1002709913.db2.gz VVHGSRSGKKEHKP-QPEQYQDCSA-N -1 3 374.349 2.816 20 5 FFBDHM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001186839551 1003430436 /nfs/dbraw/zinc/43/04/36/1003430436.db2.gz SMBNONPTVCNGID-ZDUSSCGKSA-N -1 3 369.830 2.943 20 5 FFBDHM CCN(Cc1ccccc1)C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804375572 1003639078 /nfs/dbraw/zinc/63/90/78/1003639078.db2.gz VTQPTPXJTSCXQC-UHFFFAOYSA-N -1 3 358.354 2.964 20 5 FFBDHM Cc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(N2C[C@@H](C)O[C@H](C)C2)n1 ZINC001199814584 1005034734 /nfs/dbraw/zinc/03/47/34/1005034734.db2.gz LHKRARQQJGYJHP-GHMZBOCLSA-N -1 3 359.386 2.756 20 5 FFBDHM Cc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001199814587 1005034803 /nfs/dbraw/zinc/03/48/03/1005034803.db2.gz LHKRARQQJGYJHP-PHIMTYICSA-N -1 3 359.386 2.756 20 5 FFBDHM Cc1nc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc(N2C[C@H](C)O[C@@H](C)C2)n1 ZINC001199814590 1005035054 /nfs/dbraw/zinc/03/50/54/1005035054.db2.gz LHKRARQQJGYJHP-QWRGUYRKSA-N -1 3 359.386 2.756 20 5 FFBDHM COc1c([O-])ccc(CN2CCOc3cc(F)c(F)cc32)c1[N+](=O)[O-] ZINC001206506355 1032318782 /nfs/dbraw/zinc/31/87/82/1032318782.db2.gz WIDDFZCZZATXSA-UHFFFAOYSA-N -1 3 352.293 2.986 20 5 FFBDHM COc1cccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c1 ZINC001212837232 1009469801 /nfs/dbraw/zinc/46/98/01/1009469801.db2.gz AOVFZIUPXNUZJV-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM COc1cccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c1 ZINC001212837232 1009469805 /nfs/dbraw/zinc/46/98/05/1009469805.db2.gz AOVFZIUPXNUZJV-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3ccccc3F)no2)c1Br ZINC001212837329 1009474702 /nfs/dbraw/zinc/47/47/02/1009474702.db2.gz GFGFOFDBDBRJBK-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3ccccc3F)no2)c1Br ZINC001212837329 1009474712 /nfs/dbraw/zinc/47/47/12/1009474712.db2.gz GFGFOFDBDBRJBK-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[N-]OC1CCCCC1 ZINC000777964271 1020357123 /nfs/dbraw/zinc/35/71/23/1020357123.db2.gz PLINEZDGEKJBCI-UHFFFAOYSA-N -1 3 363.370 2.663 20 5 FFBDHM COc1ccc(CC(=O)[N-]O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000749794438 1021035128 /nfs/dbraw/zinc/03/51/28/1021035128.db2.gz JGFTUMUGUWRPOO-LBPRGKRZSA-N -1 3 360.366 2.964 20 5 FFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1c(F)cccc1[N+](=O)[O-] ZINC001117297040 1021643473 /nfs/dbraw/zinc/64/34/73/1021643473.db2.gz NLPVPQBHIPZQGW-UHFFFAOYSA-N -1 3 357.338 2.857 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)ccc3[N+](=O)[O-])nc21 ZINC000159274885 1022642119 /nfs/dbraw/zinc/64/21/19/1022642119.db2.gz NMYALSJZNJLCKE-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001122988588 1023586529 /nfs/dbraw/zinc/58/65/29/1023586529.db2.gz CJLZDNKEEKRRPT-RYUDHWBXSA-N -1 3 358.402 2.507 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000779337827 1023693442 /nfs/dbraw/zinc/69/34/42/1023693442.db2.gz GWBDUXOVRMACRL-UHFFFAOYSA-N -1 3 367.220 2.762 20 5 FFBDHM COc1ccc(OCCO[N-]C(=O)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000782320069 1029655556 /nfs/dbraw/zinc/65/55/56/1029655556.db2.gz DOPHCKLQZRGRKU-UHFFFAOYSA-N -1 3 360.366 2.581 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC001149672214 1031567939 /nfs/dbraw/zinc/56/79/39/1031567939.db2.gz RZVJANLRWSJZEN-UHFFFAOYSA-N -1 3 356.363 2.770 20 5 FFBDHM CC(=O)c1cnc(=O)[n-]c1O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001226236848 1034585400 /nfs/dbraw/zinc/58/54/00/1034585400.db2.gz DUXUKJBFRQVZCX-NSHDSACASA-N -1 3 357.244 2.975 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3CN(Cc4ccccc4)CCO3)[n-]c2c1 ZINC001227744804 1035709766 /nfs/dbraw/zinc/70/97/66/1035709766.db2.gz JIRQIPNGRMHWDC-MRXNPFEDSA-N -1 3 368.393 2.751 20 5 FFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3CN(Cc4ccccc4)CCO3)nc2c1 ZINC001227744804 1035709788 /nfs/dbraw/zinc/70/97/88/1035709788.db2.gz JIRQIPNGRMHWDC-MRXNPFEDSA-N -1 3 368.393 2.751 20 5 FFBDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001228713112 1036282725 /nfs/dbraw/zinc/28/27/25/1036282725.db2.gz ICKMLIXMRJBKMN-SNVBAGLBSA-N -1 3 363.395 2.919 20 5 FFBDHM COc1cccc2nc(=O)[n-]c(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c21 ZINC001229240096 1036571642 /nfs/dbraw/zinc/57/16/42/1036571642.db2.gz SZZGZFKNRCLDDL-CYBMUJFWSA-N -1 3 353.334 2.798 20 5 FFBDHM COc1ccc(-c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)cc1 ZINC001252000956 1039402196 /nfs/dbraw/zinc/40/21/96/1039402196.db2.gz MMUDTLWXRYUGJB-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM COc1ccc(-c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)cc1 ZINC001252000956 1039402209 /nfs/dbraw/zinc/40/22/09/1039402209.db2.gz MMUDTLWXRYUGJB-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C2=CCOCC2)c(F)cc1[N+](=O)[O-] ZINC001214047480 1041188952 /nfs/dbraw/zinc/18/89/52/1041188952.db2.gz CTYHKLFLUSYCRK-UHFFFAOYSA-N -1 3 372.418 2.694 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2c2ccccc2)nc1 ZINC001309529799 1043424403 /nfs/dbraw/zinc/42/44/03/1043424403.db2.gz WVXQYCWAKXWIDS-GDBMZVCRSA-N -1 3 361.423 2.852 20 5 FFBDHM COC(=O)c1cc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)oc1C ZINC001319879862 1045292482 /nfs/dbraw/zinc/29/24/82/1045292482.db2.gz QQUYXIYUVZGJOK-UHFFFAOYSA-N -1 3 368.292 2.691 20 5 FFBDHM CCc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c([O-])c1 ZINC001321723025 1045774197 /nfs/dbraw/zinc/77/41/97/1045774197.db2.gz UULYUQWVAWYDII-UHFFFAOYSA-N -1 3 369.421 2.821 20 5 FFBDHM O=C([N-]OCCOc1ccccc1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001305275494 1051850476 /nfs/dbraw/zinc/85/04/76/1051850476.db2.gz LEZHOAJTTMKJGL-UHFFFAOYSA-N -1 3 369.333 2.589 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001309233033 1052580150 /nfs/dbraw/zinc/58/01/50/1052580150.db2.gz MJVQIYSPFAVNON-LBPRGKRZSA-N -1 3 374.415 2.770 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc(F)c(F)c2F)c([N+](=O)[O-])c1 ZINC001350034642 1055589421 /nfs/dbraw/zinc/58/94/21/1055589421.db2.gz XTQZNNSOHAPYRX-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM Nc1c(C(=O)NCc2ccc([O-])c(F)c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001545634589 1071824497 /nfs/dbraw/zinc/82/44/97/1071824497.db2.gz GRKSEQCRQSIASW-UHFFFAOYSA-N -1 3 357.700 2.744 20 5 FFBDHM CCc1cccc(C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC001454556024 1059562408 /nfs/dbraw/zinc/56/24/08/1059562408.db2.gz PWLPHCSHILXCHF-LJQANCHMSA-N -1 3 372.377 2.681 20 5 FFBDHM O=C([N-]c1cc(-c2nn[nH]n2)ccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001460783504 1061101990 /nfs/dbraw/zinc/10/19/90/1061101990.db2.gz DREPKYJTLDEWCP-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC001464174080 1062463524 /nfs/dbraw/zinc/46/35/24/1062463524.db2.gz HADPZRDUBRPFOI-GDBMZVCRSA-N -1 3 372.418 2.668 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CF)c1ccc(F)cc1 ZINC001464328013 1062548394 /nfs/dbraw/zinc/54/83/94/1062548394.db2.gz GMOYHNKBWFHQOA-GFCCVEGCSA-N -1 3 372.349 2.732 20 5 FFBDHM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001464749637 1062800342 /nfs/dbraw/zinc/80/03/42/1062800342.db2.gz OQMKHWRZSIJHLF-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCCC1 ZINC001464766295 1062809511 /nfs/dbraw/zinc/80/95/11/1062809511.db2.gz VVQQVPQFPCGLBO-UHFFFAOYSA-N -1 3 360.407 2.752 20 5 FFBDHM Cc1ccnc(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)n1 ZINC001465070265 1062963757 /nfs/dbraw/zinc/96/37/57/1062963757.db2.gz UUNLINDUSWZZAQ-UHFFFAOYSA-N -1 3 351.322 2.713 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC001471122630 1064565753 /nfs/dbraw/zinc/56/57/53/1064565753.db2.gz GCNDOLUBTXKKQJ-KRWDZBQOSA-N -1 3 362.407 2.660 20 5 FFBDHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc2c(s1)CNCC2 ZINC001580759315 1078855054 /nfs/dbraw/zinc/85/50/54/1078855054.db2.gz DJKKBJVILGKFFF-UHFFFAOYSA-N -1 3 353.787 2.913 20 5 FFBDHM Cc1cc(NC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001580979407 1078901295 /nfs/dbraw/zinc/90/12/95/1078901295.db2.gz MIKVNOFSBNMTSD-GFCCVEGCSA-N -1 3 366.381 2.901 20 5 FFBDHM Cc1cc(NC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001580979407 1078901302 /nfs/dbraw/zinc/90/13/02/1078901302.db2.gz MIKVNOFSBNMTSD-GFCCVEGCSA-N -1 3 366.381 2.901 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001581214102 1078940118 /nfs/dbraw/zinc/94/01/18/1078940118.db2.gz ZZRUOUQYNLKXDJ-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001581214102 1078940125 /nfs/dbraw/zinc/94/01/25/1078940125.db2.gz ZZRUOUQYNLKXDJ-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001582127075 1079025994 /nfs/dbraw/zinc/02/59/94/1079025994.db2.gz BWUMXLSCYXXKTC-UHFFFAOYSA-N -1 3 373.756 2.619 20 5 FFBDHM O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001582127075 1079026001 /nfs/dbraw/zinc/02/60/01/1079026001.db2.gz BWUMXLSCYXXKTC-UHFFFAOYSA-N -1 3 373.756 2.619 20 5 FFBDHM Cc1cc(Cl)c(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001557317423 1075838147 /nfs/dbraw/zinc/83/81/47/1075838147.db2.gz DSTVJWKCMYMJBS-SECBINFHSA-N -1 3 350.762 2.615 20 5 FFBDHM C[C@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1Br ZINC001559176434 1076132246 /nfs/dbraw/zinc/13/22/46/1076132246.db2.gz DMNAKRPCMMIQPL-AWEZNQCLSA-N -1 3 368.187 2.778 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001561621058 1076399698 /nfs/dbraw/zinc/39/96/98/1076399698.db2.gz FYNJKEDTKMNVSF-MGPLVRAMSA-N -1 3 366.370 2.843 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC001586283246 1079589092 /nfs/dbraw/zinc/58/90/92/1079589092.db2.gz DDLHCSDYNQKRRT-UHFFFAOYSA-N -1 3 362.773 2.941 20 5 FFBDHM CC(C)(NC(=O)c1cscc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001589321578 1080482330 /nfs/dbraw/zinc/48/23/30/1080482330.db2.gz IRFWFOUEHIFJRB-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)(NC(=O)c1cscc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001589321578 1080482331 /nfs/dbraw/zinc/48/23/31/1080482331.db2.gz IRFWFOUEHIFJRB-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)CCn1ccc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001589613539 1080635738 /nfs/dbraw/zinc/63/57/38/1080635738.db2.gz GVTSWUJKRQZCPJ-UHFFFAOYSA-N -1 3 360.353 2.900 20 5 FFBDHM CC(C)CCn1ccc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001589613539 1080635742 /nfs/dbraw/zinc/63/57/42/1080635742.db2.gz GVTSWUJKRQZCPJ-UHFFFAOYSA-N -1 3 360.353 2.900 20 5 FFBDHM CC(C)OCc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589749809 1080700941 /nfs/dbraw/zinc/70/09/41/1080700941.db2.gz KDJYQJSRSDEULD-UHFFFAOYSA-N -1 3 369.385 2.707 20 5 FFBDHM CC(C)OCc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589749809 1080700948 /nfs/dbraw/zinc/70/09/48/1080700948.db2.gz KDJYQJSRSDEULD-UHFFFAOYSA-N -1 3 369.385 2.707 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589923085 1080863373 /nfs/dbraw/zinc/86/33/73/1080863373.db2.gz QEIKIFBSWSCOIF-MCWZUMHDSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589923085 1080863378 /nfs/dbraw/zinc/86/33/78/1080863378.db2.gz QEIKIFBSWSCOIF-MCWZUMHDSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589923087 1080863887 /nfs/dbraw/zinc/86/38/87/1080863887.db2.gz QEIKIFBSWSCOIF-QNCMIEPLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589923087 1080863892 /nfs/dbraw/zinc/86/38/92/1080863892.db2.gz QEIKIFBSWSCOIF-QNCMIEPLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945179 1080887853 /nfs/dbraw/zinc/88/78/53/1080887853.db2.gz KAHCKCHFUBQPLD-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945179 1080887859 /nfs/dbraw/zinc/88/78/59/1080887859.db2.gz KAHCKCHFUBQPLD-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589978489 1080917675 /nfs/dbraw/zinc/91/76/75/1080917675.db2.gz UXSOLXRBARWCRH-MRVPVSSYSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589978489 1080917678 /nfs/dbraw/zinc/91/76/78/1080917678.db2.gz UXSOLXRBARWCRH-MRVPVSSYSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590052803 1080981188 /nfs/dbraw/zinc/98/11/88/1080981188.db2.gz UXPLPIQBWHKMBA-LRDDRELGSA-N -1 3 365.397 2.942 20 5 FFBDHM C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590052803 1080981197 /nfs/dbraw/zinc/98/11/97/1080981197.db2.gz UXPLPIQBWHKMBA-LRDDRELGSA-N -1 3 365.397 2.942 20 5 FFBDHM CC1(C)CCC[C@](O)(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590098628 1081010787 /nfs/dbraw/zinc/01/07/87/1081010787.db2.gz WWJRHIRBRHNIAK-QGZVFWFLSA-N -1 3 360.418 2.908 20 5 FFBDHM CC1(C)CCC[C@](O)(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590098628 1081010795 /nfs/dbraw/zinc/01/07/95/1081010795.db2.gz WWJRHIRBRHNIAK-QGZVFWFLSA-N -1 3 360.418 2.908 20 5 FFBDHM CC1(C)CCC[C@@](O)(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001590098627 1081011497 /nfs/dbraw/zinc/01/14/97/1081011497.db2.gz WWJRHIRBRHNIAK-KRWDZBQOSA-N -1 3 360.418 2.908 20 5 FFBDHM CC1(C)CCC[C@@](O)(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001590098627 1081011505 /nfs/dbraw/zinc/01/15/05/1081011505.db2.gz WWJRHIRBRHNIAK-KRWDZBQOSA-N -1 3 360.418 2.908 20 5 FFBDHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590180536 1081073157 /nfs/dbraw/zinc/07/31/57/1081073157.db2.gz HGFCDXMXGFYEPR-FZMZJTMJSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590180536 1081073162 /nfs/dbraw/zinc/07/31/62/1081073162.db2.gz HGFCDXMXGFYEPR-FZMZJTMJSA-N -1 3 351.370 2.552 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000119415885 209350691 /nfs/dbraw/zinc/35/06/91/209350691.db2.gz RAUXZBSXHNPRHI-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM COc1cc(CNC[C@@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1[O-] ZINC000101590492 250081285 /nfs/dbraw/zinc/08/12/85/250081285.db2.gz SVUJWIHRUDLPSI-OAHLLOKOSA-N -1 3 352.774 2.786 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(C2CCCC2)C1 ZINC000106891401 250296270 /nfs/dbraw/zinc/29/62/70/250296270.db2.gz AZNBMNWLDZCWHU-NSHDSACASA-N -1 3 373.862 2.543 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1C ZINC000163208861 251177657 /nfs/dbraw/zinc/17/76/57/251177657.db2.gz YYSNSRJHZULOIV-UHFFFAOYSA-N -1 3 373.394 2.798 20 5 FFBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000272420178 252035070 /nfs/dbraw/zinc/03/50/70/252035070.db2.gz QFPTWNGFSIBGCY-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM Cc1ccc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000273527338 252324900 /nfs/dbraw/zinc/32/49/00/252324900.db2.gz QXPPGRZLRMFJMW-LLVKDONJSA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1ccc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000273527338 252324904 /nfs/dbraw/zinc/32/49/04/252324904.db2.gz QXPPGRZLRMFJMW-LLVKDONJSA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1c(NC(=O)[N-]OC[C@H]2CCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000280878434 256579210 /nfs/dbraw/zinc/57/92/10/256579210.db2.gz ZJULCXWQAJDSPV-VIFPVBQESA-N -1 3 374.191 2.755 20 5 FFBDHM COCCCO[N-]C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000287113961 257072612 /nfs/dbraw/zinc/07/26/12/257072612.db2.gz KAKQMQOQAHMROL-UHFFFAOYSA-N -1 3 362.180 2.755 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)c1[N+](=O)[O-] ZINC000288960518 257241931 /nfs/dbraw/zinc/24/19/31/257241931.db2.gz PXQQBTHEWOEXPG-GFCCVEGCSA-N -1 3 352.416 2.610 20 5 FFBDHM C[S@](=O)Cc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000302167220 258092138 /nfs/dbraw/zinc/09/21/38/258092138.db2.gz LERQDXQKWAQUKW-QFIPXVFZSA-N -1 3 374.465 2.682 20 5 FFBDHM O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000312707551 258115410 /nfs/dbraw/zinc/11/54/10/258115410.db2.gz SIYJHTMYANYJJE-MRXNPFEDSA-N -1 3 369.421 2.942 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000331153183 258178684 /nfs/dbraw/zinc/17/86/84/258178684.db2.gz XSGRAHNEPMSKOU-AWEZNQCLSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000409883153 512159264 /nfs/dbraw/zinc/15/92/64/512159264.db2.gz AIDFTWPBQONDJL-UHFFFAOYSA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c([O-])c1C ZINC000053468521 506388279 /nfs/dbraw/zinc/38/82/79/506388279.db2.gz LLIFHLHQXJLKKO-UHFFFAOYSA-N -1 3 355.394 2.880 20 5 FFBDHM COC(=O)c1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1[O-] ZINC000066635468 506588280 /nfs/dbraw/zinc/58/82/80/506588280.db2.gz OUJKODIWONUPKX-UHFFFAOYSA-N -1 3 355.306 2.821 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055950317 506894111 /nfs/dbraw/zinc/89/41/11/506894111.db2.gz PPCUPJNDHBIYCG-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1ccc(NC(C)=O)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000056179948 506956759 /nfs/dbraw/zinc/95/67/59/506956759.db2.gz QNBZMXLMYPECPX-UHFFFAOYSA-N -1 3 369.337 2.690 20 5 FFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1Br ZINC000021556949 507259167 /nfs/dbraw/zinc/25/91/67/507259167.db2.gz VXYRQPXDDVLSLP-UHFFFAOYSA-N -1 3 352.144 2.606 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000023434492 507353866 /nfs/dbraw/zinc/35/38/66/507353866.db2.gz YHTCKXQILKTFNI-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000047542798 507355121 /nfs/dbraw/zinc/35/51/21/507355121.db2.gz CBJCIRMAXMBJKS-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM CCN(CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1C ZINC000058932254 507484750 /nfs/dbraw/zinc/48/47/50/507484750.db2.gz IJXMFKSQKOGIDH-UHFFFAOYSA-N -1 3 363.439 2.708 20 5 FFBDHM Cc1cccc(OCC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060497630 507552924 /nfs/dbraw/zinc/55/29/24/507552924.db2.gz ATICWHOIKBVKEX-UHFFFAOYSA-N -1 3 364.423 2.877 20 5 FFBDHM COc1ccccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060496407 507553442 /nfs/dbraw/zinc/55/34/42/507553442.db2.gz FKMFPXSCFDIWTB-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000026238845 507570782 /nfs/dbraw/zinc/57/07/82/507570782.db2.gz CAPIZNIHSRHEHW-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000029387090 507776389 /nfs/dbraw/zinc/77/63/89/507776389.db2.gz YVWCFABXWAXFKM-NWDGAFQWSA-N -1 3 352.334 2.994 20 5 FFBDHM COc1ccc(NC(=O)Cn2cc([N-]c3ncccc3[N+](=O)[O-])cn2)cc1 ZINC000064550765 507801870 /nfs/dbraw/zinc/80/18/70/507801870.db2.gz KKAGEFVPVCUIOE-UHFFFAOYSA-N -1 3 368.353 2.577 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000092264467 508055812 /nfs/dbraw/zinc/05/58/12/508055812.db2.gz QQPJOYPIXDHXIU-UHFFFAOYSA-N -1 3 369.830 2.899 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000111363093 508093699 /nfs/dbraw/zinc/09/36/99/508093699.db2.gz KMBMGHSAQXOGNI-JTQLQIEISA-N -1 3 355.441 2.962 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000111363768 508094536 /nfs/dbraw/zinc/09/45/36/508094536.db2.gz BWQKXWJEVMZBPP-JTQLQIEISA-N -1 3 355.441 2.962 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000111363767 508094557 /nfs/dbraw/zinc/09/45/57/508094557.db2.gz BWQKXWJEVMZBPP-SNVBAGLBSA-N -1 3 355.441 2.962 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)c2cccs2)c([N+](=O)[O-])c1 ZINC000114499017 508322421 /nfs/dbraw/zinc/32/24/21/508322421.db2.gz IDSYBZGSHLOBNT-UHFFFAOYSA-N -1 3 370.452 2.921 20 5 FFBDHM CC(C)(C)c1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000156753497 508471977 /nfs/dbraw/zinc/47/19/77/508471977.db2.gz ZVMLYOFLQYQQIT-UHFFFAOYSA-N -1 3 364.427 2.667 20 5 FFBDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153873635 508667510 /nfs/dbraw/zinc/66/75/10/508667510.db2.gz FUDOMMBUBGKPDL-UHFFFAOYSA-N -1 3 371.437 2.937 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccc(Br)o2)cc([N+](=O)[O-])c1 ZINC000136147201 508674839 /nfs/dbraw/zinc/67/48/39/508674839.db2.gz UYXJDKXFSJUYTE-UHFFFAOYSA-N -1 3 369.127 2.989 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)[n-]c21 ZINC000158448515 508706031 /nfs/dbraw/zinc/70/60/31/508706031.db2.gz RHYAWLKPHNYERC-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC000158448515 508706035 /nfs/dbraw/zinc/70/60/35/508706035.db2.gz RHYAWLKPHNYERC-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000123627677 508717811 /nfs/dbraw/zinc/71/78/11/508717811.db2.gz LTCSMTXTCPKXJY-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000123627677 508717813 /nfs/dbraw/zinc/71/78/13/508717813.db2.gz LTCSMTXTCPKXJY-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129437559 508726850 /nfs/dbraw/zinc/72/68/50/508726850.db2.gz OJPHOMMBSSGBTR-SECBINFHSA-N -1 3 363.757 2.711 20 5 FFBDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000154717541 508840985 /nfs/dbraw/zinc/84/09/85/508840985.db2.gz HASLBISZCZANAB-OAHLLOKOSA-N -1 3 368.411 2.557 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000124605988 508857554 /nfs/dbraw/zinc/85/75/54/508857554.db2.gz BVJDJBQQVGRQMT-NEPJUHHUSA-N -1 3 360.457 2.591 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000132760258 509071579 /nfs/dbraw/zinc/07/15/79/509071579.db2.gz WQWGJPNIHNSFCR-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000132760258 509071580 /nfs/dbraw/zinc/07/15/80/509071580.db2.gz WQWGJPNIHNSFCR-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cs1 ZINC000191949770 509258771 /nfs/dbraw/zinc/25/87/71/509258771.db2.gz RIDAJUCMSOHIAK-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000162656244 509273666 /nfs/dbraw/zinc/27/36/66/509273666.db2.gz UDXOINFBSSOGNB-YPMHNXCESA-N -1 3 374.846 2.793 20 5 FFBDHM CC(C)c1ccc([C@@H](N)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000236742111 509494395 /nfs/dbraw/zinc/49/43/95/509494395.db2.gz SEIXBMAQTHOAOB-ZDUSSCGKSA-N -1 3 369.468 2.758 20 5 FFBDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC000183092010 509592188 /nfs/dbraw/zinc/59/21/88/509592188.db2.gz KLHVPLGKTGIWEQ-SECBINFHSA-N -1 3 359.404 2.847 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@H]1COc2ccccc21 ZINC000167611015 509637066 /nfs/dbraw/zinc/63/70/66/509637066.db2.gz VMTNCNMXHCPISP-GXTWGEPZSA-N -1 3 362.407 2.746 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000192927685 509701439 /nfs/dbraw/zinc/70/14/39/509701439.db2.gz LIVKACVNNCUHJD-ZDUSSCGKSA-N -1 3 370.814 2.914 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000180136800 509771373 /nfs/dbraw/zinc/77/13/73/509771373.db2.gz JIVSHFHVPGPUKZ-ZDUSSCGKSA-N -1 3 366.370 2.926 20 5 FFBDHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000180198934 509806963 /nfs/dbraw/zinc/80/69/63/509806963.db2.gz XYVBIDNNQYBIJT-LBPRGKRZSA-N -1 3 365.411 2.646 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000173975385 509884552 /nfs/dbraw/zinc/88/45/52/509884552.db2.gz JOBLLTALEJOOPL-AWEZNQCLSA-N -1 3 370.814 2.914 20 5 FFBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190037164 509899646 /nfs/dbraw/zinc/89/96/46/509899646.db2.gz QXSJXYRYORVGHX-UHFFFAOYSA-N -1 3 358.460 2.679 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000171042494 509903841 /nfs/dbraw/zinc/90/38/41/509903841.db2.gz YTYPUUYIPBDLCX-WBVHZDCISA-N -1 3 362.407 2.793 20 5 FFBDHM O=C(c1ccccc1[O-])N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255637802 509932010 /nfs/dbraw/zinc/93/20/10/509932010.db2.gz CAOCIEPIEOISNS-ALCCZGGFSA-N -1 3 367.405 2.772 20 5 FFBDHM COCc1nc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n[n-]1 ZINC000268500574 509972779 /nfs/dbraw/zinc/97/27/79/509972779.db2.gz SELGSJJKELVMOP-ZETCQYMHSA-N -1 3 371.806 2.632 20 5 FFBDHM Cc1ccccc1-c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n(C)n1 ZINC000193661865 510011355 /nfs/dbraw/zinc/01/13/55/510011355.db2.gz PXKSBZGRCXITFF-UHFFFAOYSA-N -1 3 353.338 2.657 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c1C ZINC000268964516 510164809 /nfs/dbraw/zinc/16/48/09/510164809.db2.gz JQOIOCSFVLMVMZ-ZDUSSCGKSA-N -1 3 354.428 2.592 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)cc([N+](=O)[O-])c1OC ZINC000266022619 510366342 /nfs/dbraw/zinc/36/63/42/510366342.db2.gz UORAHOBIJNFGSF-UHFFFAOYSA-N -1 3 366.399 2.914 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000178145625 510455192 /nfs/dbraw/zinc/45/51/92/510455192.db2.gz AWYMPLWTVZEJNF-UHFFFAOYSA-N -1 3 372.772 2.844 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(Br)ccc21 ZINC000194652854 510467034 /nfs/dbraw/zinc/46/70/34/510467034.db2.gz WMJNXLQYQWLAKC-UHFFFAOYSA-N -1 3 364.155 2.661 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000184704454 510473418 /nfs/dbraw/zinc/47/34/18/510473418.db2.gz FUPXZBJFAUXKNT-SECBINFHSA-N -1 3 357.292 2.939 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000184704454 510473421 /nfs/dbraw/zinc/47/34/21/510473421.db2.gz FUPXZBJFAUXKNT-SECBINFHSA-N -1 3 357.292 2.939 20 5 FFBDHM O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194753817 510513192 /nfs/dbraw/zinc/51/31/92/510513192.db2.gz TYQFXRQZAOOBKN-HNNXBMFYSA-N -1 3 355.394 2.552 20 5 FFBDHM Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000185128398 510701411 /nfs/dbraw/zinc/70/14/11/510701411.db2.gz MQYCNBQFACRLSR-UHFFFAOYSA-N -1 3 357.410 2.813 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000364939401 511165792 /nfs/dbraw/zinc/16/57/92/511165792.db2.gz IEIGWWJFOKXUKN-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000364939401 511165794 /nfs/dbraw/zinc/16/57/94/511165794.db2.gz IEIGWWJFOKXUKN-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM CCCOc1cc([N-]C(=O)c2cnn(C)n2)c([N+](=O)[O-])cc1OCCC ZINC000283975364 511562886 /nfs/dbraw/zinc/56/28/86/511562886.db2.gz SPWKYFRALGDFGY-UHFFFAOYSA-N -1 3 363.374 2.553 20 5 FFBDHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000281078755 511712962 /nfs/dbraw/zinc/71/29/62/511712962.db2.gz CJQNOEWVMGCBDG-INIZCTEOSA-N -1 3 355.394 2.867 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C1CCC1 ZINC000324451693 511836694 /nfs/dbraw/zinc/83/66/94/511836694.db2.gz DQTIWAIFLMRZHN-CQSZACIVSA-N -1 3 370.427 2.629 20 5 FFBDHM CC(C)ON=C([O-])Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296835086 511916984 /nfs/dbraw/zinc/91/69/84/511916984.db2.gz SWBAJFOYUKJZRO-UHFFFAOYSA-N -1 3 365.127 2.661 20 5 FFBDHM CC(C)O[N-]C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000296835086 511916989 /nfs/dbraw/zinc/91/69/89/511916989.db2.gz SWBAJFOYUKJZRO-UHFFFAOYSA-N -1 3 365.127 2.661 20 5 FFBDHM CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377818732 512465210 /nfs/dbraw/zinc/46/52/10/512465210.db2.gz LMEUPWOVGKKCEL-INIZCTEOSA-N -1 3 369.421 2.895 20 5 FFBDHM CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388247418 512893218 /nfs/dbraw/zinc/89/32/18/512893218.db2.gz DPGQECSZADJDJP-INIZCTEOSA-N -1 3 370.409 2.789 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000389791076 512901544 /nfs/dbraw/zinc/90/15/44/512901544.db2.gz LSZLHICIJOBBKU-IUODEOHRSA-N -1 3 356.382 2.620 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN2CCC[C@@H](C)C2)c1C ZINC000440080063 513243713 /nfs/dbraw/zinc/24/37/13/513243713.db2.gz QJAMHRIVIRAFSB-TZMCWYRMSA-N -1 3 369.487 2.610 20 5 FFBDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447015371 513383731 /nfs/dbraw/zinc/38/37/31/513383731.db2.gz GFOGCAMGEFTPCY-MRVPVSSYSA-N -1 3 363.233 2.682 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000425247367 513472245 /nfs/dbraw/zinc/47/22/45/513472245.db2.gz ZMSDZZOWFWKEJU-DIYOJNKTSA-N -1 3 350.318 2.690 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C(C)C)C(C)C ZINC000447766113 513564574 /nfs/dbraw/zinc/56/45/74/513564574.db2.gz NBOGGUNFMZBXPH-UHFFFAOYSA-N -1 3 372.443 2.588 20 5 FFBDHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416421305 513763455 /nfs/dbraw/zinc/76/34/55/513763455.db2.gz ZRJJUAMBAYZWOE-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000442785510 513780353 /nfs/dbraw/zinc/78/03/53/513780353.db2.gz UIAWUPXBOJPDJK-VXGBXAGGSA-N -1 3 370.427 2.613 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000442794863 513781272 /nfs/dbraw/zinc/78/12/72/513781272.db2.gz SOWBGLQTJBLQIV-NSHDSACASA-N -1 3 372.399 2.906 20 5 FFBDHM Cc1ccc(C(=O)NCCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c([O-])c1 ZINC000436685901 513944879 /nfs/dbraw/zinc/94/48/79/513944879.db2.gz CKNIGOHGDGVTKK-UHFFFAOYSA-N -1 3 368.349 2.631 20 5 FFBDHM COC(=O)c1ccc(C)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000436833893 513999520 /nfs/dbraw/zinc/99/95/20/513999520.db2.gz ZOTNRMGUMFWVJK-UHFFFAOYSA-N -1 3 370.321 2.524 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(C)C)[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000451839416 514016796 /nfs/dbraw/zinc/01/67/96/514016796.db2.gz CIEVBWTXAWQGFA-BXUZGUMPSA-N -1 3 364.489 2.532 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c(F)c1 ZINC000443755482 514037312 /nfs/dbraw/zinc/03/73/12/514037312.db2.gz ZBPNVQPCOVERIN-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM O=C(Nc1nc2c(ccc(F)c2F)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445137471 514425230 /nfs/dbraw/zinc/42/52/30/514425230.db2.gz RCCIOFPBBVUQKT-UHFFFAOYSA-N -1 3 352.278 2.836 20 5 FFBDHM CC(C)CN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000438955534 514471468 /nfs/dbraw/zinc/47/14/68/514471468.db2.gz UMJRAEZEMMMXMO-ZDUSSCGKSA-N -1 3 373.450 2.523 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000439202908 514507953 /nfs/dbraw/zinc/50/79/53/514507953.db2.gz VRVDMTVZOUCVMX-SECBINFHSA-N -1 3 371.802 2.691 20 5 FFBDHM CNC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(Cl)c1 ZINC000508242631 514720568 /nfs/dbraw/zinc/72/05/68/514720568.db2.gz PZBRPKLUWLEFLU-UHFFFAOYSA-N -1 3 373.756 2.736 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000466721775 514742407 /nfs/dbraw/zinc/74/24/07/514742407.db2.gz GOEUDLNGJPWPTJ-UHFFFAOYSA-N -1 3 361.379 2.563 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000466755502 514756937 /nfs/dbraw/zinc/75/69/37/514756937.db2.gz ZDGXGHYRGRJTSU-UHFFFAOYSA-N -1 3 361.379 2.563 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000479989897 514800283 /nfs/dbraw/zinc/80/02/83/514800283.db2.gz TYTLPCHZTUJSHK-CQSZACIVSA-N -1 3 354.384 2.552 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nccc3ccccc32)cc1[N+](=O)[O-] ZINC000467400625 514994114 /nfs/dbraw/zinc/99/41/14/514994114.db2.gz WIPIQLKQHDWWBS-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cnc2OC(C)C)n1 ZINC000456228913 515039686 /nfs/dbraw/zinc/03/96/86/515039686.db2.gz LBXHREBHEGIAKN-UHFFFAOYSA-N -1 3 353.766 2.899 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000480744768 515068068 /nfs/dbraw/zinc/06/80/68/515068068.db2.gz LFSVSHPSOOPCNL-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000462487472 515079070 /nfs/dbraw/zinc/07/90/70/515079070.db2.gz JVROQEFHPARVEH-DZGCQCFKSA-N -1 3 362.407 2.513 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)c1C ZINC000490095945 515103227 /nfs/dbraw/zinc/10/32/27/515103227.db2.gz FKWQUWVTTHUVTH-INIZCTEOSA-N -1 3 370.471 2.677 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000456338891 515106591 /nfs/dbraw/zinc/10/65/91/515106591.db2.gz OLCWKDGUVIVJAA-OAHLLOKOSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000490115594 515112677 /nfs/dbraw/zinc/11/26/77/515112677.db2.gz WSRCNMZPEZPVRK-MRXNPFEDSA-N -1 3 370.471 2.677 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000456347745 515116364 /nfs/dbraw/zinc/11/63/64/515116364.db2.gz UXTSNIJSRKMVEW-HNNXBMFYSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cccc1[N+](=O)[O-] ZINC000480873516 515119734 /nfs/dbraw/zinc/11/97/34/515119734.db2.gz JTOYCXPVGPGKSC-UHFFFAOYSA-N -1 3 360.313 2.799 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1ccco1 ZINC000503721188 515130221 /nfs/dbraw/zinc/13/02/21/515130221.db2.gz AQVWHCRGLARDLC-AWEZNQCLSA-N -1 3 368.411 2.861 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)C ZINC000481066652 515193158 /nfs/dbraw/zinc/19/31/58/515193158.db2.gz CKTRPZQOZSNZKW-AWEZNQCLSA-N -1 3 358.460 2.941 20 5 FFBDHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000462704152 515200948 /nfs/dbraw/zinc/20/09/48/515200948.db2.gz SXEPGYQIIVTHOC-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000490417031 515202383 /nfs/dbraw/zinc/20/23/83/515202383.db2.gz TXTAYDVMSFAASX-JSGCOSHPSA-N -1 3 366.370 2.577 20 5 FFBDHM COc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000486055527 515314946 /nfs/dbraw/zinc/31/49/46/515314946.db2.gz ZTQRWTBKEHRNIZ-DUXPYHPUSA-N -1 3 350.334 2.919 20 5 FFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000509763643 515317096 /nfs/dbraw/zinc/31/70/96/515317096.db2.gz SAFFJYCQYBTDAB-UHFFFAOYSA-N -1 3 350.396 2.780 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000509809550 515331412 /nfs/dbraw/zinc/33/14/12/515331412.db2.gz XQGXKXKCGMIXJF-GFCCVEGCSA-N -1 3 352.387 2.952 20 5 FFBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n(-c2ccccn2)n1 ZINC000486327589 515439155 /nfs/dbraw/zinc/43/91/55/515439155.db2.gz LGRLMPVQEIVZLV-UHFFFAOYSA-N -1 3 363.337 2.613 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cn3cc(C)nc3s2)cc([N+](=O)[O-])c1 ZINC000505221560 515480556 /nfs/dbraw/zinc/48/05/56/515480556.db2.gz BUMUWTGMQIDRNL-UHFFFAOYSA-N -1 3 360.351 2.651 20 5 FFBDHM COc1cc(CN[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1[O-] ZINC000492081933 515500190 /nfs/dbraw/zinc/50/01/90/515500190.db2.gz MIDZRCBVNZRWLI-ZDUSSCGKSA-N -1 3 361.373 2.817 20 5 FFBDHM CC[C@H](c1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1)c1ccccc1 ZINC000510680630 515633000 /nfs/dbraw/zinc/63/30/00/515633000.db2.gz KUEAIUJSXRFHEF-JTQLQIEISA-N -1 3 358.383 2.964 20 5 FFBDHM CC1CCN(c2ccc(C(=O)NCc3ncccc3[O-])cc2[N+](=O)[O-])CC1 ZINC000473630953 515693517 /nfs/dbraw/zinc/69/35/17/515693517.db2.gz QDWILQUNMVOGHA-UHFFFAOYSA-N -1 3 370.409 2.862 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1CCCCC1 ZINC000469222470 515727832 /nfs/dbraw/zinc/72/78/32/515727832.db2.gz PYWBBJZOMHNEHU-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM CCOc1ccc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)cc1[N+](=O)[O-] ZINC000464641279 515904971 /nfs/dbraw/zinc/90/49/71/515904971.db2.gz CKAZJEDHBHUIMF-UHFFFAOYSA-N -1 3 361.745 2.942 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)n1 ZINC000495290055 516130109 /nfs/dbraw/zinc/13/01/09/516130109.db2.gz GYXCZMMQKORPQH-UHFFFAOYSA-N -1 3 361.358 2.767 20 5 FFBDHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000507297776 516161561 /nfs/dbraw/zinc/16/15/61/516161561.db2.gz GEBZXBOYTXXXDJ-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000507491764 516223310 /nfs/dbraw/zinc/22/33/10/516223310.db2.gz FRAXWJNZFBEKEN-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM CCOCc1ccccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507538590 516236542 /nfs/dbraw/zinc/23/65/42/516236542.db2.gz ZEAAUJGVIQMFLL-UHFFFAOYSA-N -1 3 364.423 2.918 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)cc1C ZINC000497558468 516326345 /nfs/dbraw/zinc/32/63/45/516326345.db2.gz QKUJXNSXZFCGQP-CABCVRRESA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)cc1C ZINC000513030795 516446647 /nfs/dbraw/zinc/44/66/47/516446647.db2.gz VSHZIMIAPJFTIX-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM CC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000531480330 516488330 /nfs/dbraw/zinc/48/83/30/516488330.db2.gz KLQXAHXVKLBMQY-CYBMUJFWSA-N -1 3 368.386 2.870 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@H]2C)c([N+](=O)[O-])c1 ZINC000561559894 516653577 /nfs/dbraw/zinc/65/35/77/516653577.db2.gz VWGCDZLQJUHWQN-MGPLVRAMSA-N -1 3 366.370 2.843 20 5 FFBDHM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000561611745 516680924 /nfs/dbraw/zinc/68/09/24/516680924.db2.gz IVVSWHWETGAPBM-UHFFFAOYSA-N -1 3 352.347 2.732 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000531940862 516724324 /nfs/dbraw/zinc/72/43/24/516724324.db2.gz YLXYPRFTAGHWKZ-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM Cn1[nH]c(-c2ccccc2)c2c([N-]C(=O)c3ccc([N+](=O)[O-])cn3)nnc1-2 ZINC000532144638 516822536 /nfs/dbraw/zinc/82/25/36/516822536.db2.gz YCDRNXFXQRZKOL-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000558780508 516940951 /nfs/dbraw/zinc/94/09/51/516940951.db2.gz XYSPHWCYAWUCTH-LBPRGKRZSA-N -1 3 361.489 2.589 20 5 FFBDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000541830462 517238462 /nfs/dbraw/zinc/23/84/62/517238462.db2.gz VPDYBIHQYQEEDJ-JTQLQIEISA-N -1 3 355.441 2.750 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCCc2cccs2)c([N+](=O)[O-])c1 ZINC000537656972 517283342 /nfs/dbraw/zinc/28/33/42/517283342.db2.gz LOMJSYBJIWZEON-UHFFFAOYSA-N -1 3 356.425 2.576 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c([O-])c1 ZINC000537769515 517335058 /nfs/dbraw/zinc/33/50/58/517335058.db2.gz ZCIKRGDIPLHOJS-UHFFFAOYSA-N -1 3 359.338 2.771 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000516550521 517739736 /nfs/dbraw/zinc/73/97/36/517739736.db2.gz IYWODEWBGKNVEW-JTQLQIEISA-N -1 3 356.425 2.574 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)c1 ZINC000546640609 517772475 /nfs/dbraw/zinc/77/24/75/517772475.db2.gz MQCQEQARKFPLRK-UHFFFAOYSA-N -1 3 356.425 2.760 20 5 FFBDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000553571422 517790942 /nfs/dbraw/zinc/79/09/42/517790942.db2.gz KDXNGMKWKMJLSD-QFYYESIMSA-N -1 3 366.370 2.676 20 5 FFBDHM CCOc1nc2cc(C(=O)NCCc3cccc([N+](=O)[O-])c3)ccc2[n-]1 ZINC000516667854 517798081 /nfs/dbraw/zinc/79/80/81/517798081.db2.gz DESSEXQNYIYHPD-UHFFFAOYSA-N -1 3 354.366 2.842 20 5 FFBDHM CCOc1nc2ccc(C(=O)NCCc3cccc([N+](=O)[O-])c3)cc2[n-]1 ZINC000516667854 517798089 /nfs/dbraw/zinc/79/80/89/517798089.db2.gz DESSEXQNYIYHPD-UHFFFAOYSA-N -1 3 354.366 2.842 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c(F)c1 ZINC000522556954 518126718 /nfs/dbraw/zinc/12/67/18/518126718.db2.gz JURFCKMKQBKBFG-UHFFFAOYSA-N -1 3 371.415 2.938 20 5 FFBDHM Cc1cc(NCCCN2CCCO[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576640240 518689354 /nfs/dbraw/zinc/68/93/54/518689354.db2.gz RRWVWHLBZHLZFK-ZDUSSCGKSA-N -1 3 351.403 2.514 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000567857660 518751749 /nfs/dbraw/zinc/75/17/49/518751749.db2.gz KOZUATITWAQMBH-SJORKVTESA-N -1 3 356.378 2.904 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)s1 ZINC000579586252 518751724 /nfs/dbraw/zinc/75/17/24/518751724.db2.gz GJJNCVKEGPPVEY-UHFFFAOYSA-N -1 3 355.441 2.655 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc3ccccc32)c(Cl)c1 ZINC000588900825 518864252 /nfs/dbraw/zinc/86/42/52/518864252.db2.gz QJGOOKLJDGIUCT-UHFFFAOYSA-N -1 3 367.770 2.868 20 5 FFBDHM C[C@@]1(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000574215005 519044053 /nfs/dbraw/zinc/04/40/53/519044053.db2.gz SBPYLBBVQKNPHC-LJQANCHMSA-N -1 3 355.394 2.695 20 5 FFBDHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000568757718 519200806 /nfs/dbraw/zinc/20/08/06/519200806.db2.gz HQGXWOCXUAZMHQ-QGZVFWFLSA-N -1 3 360.370 2.578 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(F)cc1[N+](=O)[O-] ZINC000590589592 519278291 /nfs/dbraw/zinc/27/82/91/519278291.db2.gz KYSHESBKFGZFBQ-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM CSC1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN(C)CC1 ZINC000571883162 519328723 /nfs/dbraw/zinc/32/87/23/519328723.db2.gz FRCVJHRNFIARKC-UHFFFAOYSA-N -1 3 373.862 2.511 20 5 FFBDHM C[C@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000572163149 519474903 /nfs/dbraw/zinc/47/49/03/519474903.db2.gz VIEKZRDJYZJMAY-SNVBAGLBSA-N -1 3 355.822 2.756 20 5 FFBDHM Cc1cnc(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C)c1 ZINC000594476560 519987433 /nfs/dbraw/zinc/98/74/33/519987433.db2.gz SDDHQYYHHDSIDT-UHFFFAOYSA-N -1 3 363.439 2.744 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000594764350 520141780 /nfs/dbraw/zinc/14/17/80/520141780.db2.gz KXXFQFWCHFHEBQ-JTQLQIEISA-N -1 3 371.365 2.999 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000592069967 520164671 /nfs/dbraw/zinc/16/46/71/520164671.db2.gz CKNGJCNXGYQTFS-TZMCWYRMSA-N -1 3 350.371 2.816 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592102094 520185262 /nfs/dbraw/zinc/18/52/62/520185262.db2.gz PZZOZADDNDEKEC-AWEZNQCLSA-N -1 3 374.484 2.596 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000594856799 520191869 /nfs/dbraw/zinc/19/18/69/520191869.db2.gz BMKLQXHZSJRUQW-NSHDSACASA-N -1 3 363.233 2.824 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccn1 ZINC000609197314 520227883 /nfs/dbraw/zinc/22/78/83/520227883.db2.gz POIPBOTWPVELHN-AWEZNQCLSA-N -1 3 365.411 2.818 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000609638645 520392160 /nfs/dbraw/zinc/39/21/60/520392160.db2.gz VMRUDCQWNUOJQS-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F ZINC000595418506 520458613 /nfs/dbraw/zinc/45/86/13/520458613.db2.gz SFGSDIYHBVFSGC-UHFFFAOYSA-N -1 3 370.349 2.860 20 5 FFBDHM O=C(Nc1cccnc1N1CCCC1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000604236569 520497188 /nfs/dbraw/zinc/49/71/88/520497188.db2.gz SEXAQDYLRNTKEW-UHFFFAOYSA-N -1 3 352.354 2.719 20 5 FFBDHM CC(C)(C)OC(=O)CC1(NCc2cc([O-])ccc2[N+](=O)[O-])CCOCC1 ZINC000595550945 520546269 /nfs/dbraw/zinc/54/62/69/520546269.db2.gz PMAATTKHPUWKDC-UHFFFAOYSA-N -1 3 366.414 2.671 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)[C@H]1CCCCO1 ZINC000610715873 520811963 /nfs/dbraw/zinc/81/19/63/520811963.db2.gz VWNXKXJNWBHHAX-CQSZACIVSA-N -1 3 356.444 2.777 20 5 FFBDHM O=c1[n-]ccc(Nc2ccc3nc(N4CCOCC4)sc3c2)c1[N+](=O)[O-] ZINC000596058540 520886209 /nfs/dbraw/zinc/88/62/09/520886209.db2.gz KIYDAVBEACKSMQ-UHFFFAOYSA-N -1 3 373.394 2.885 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000611117542 520993612 /nfs/dbraw/zinc/99/36/12/520993612.db2.gz VHYFZOIEXLIXEQ-QMMMGPOBSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC000614857080 521170302 /nfs/dbraw/zinc/17/03/02/521170302.db2.gz WZZSZPLLDJVPBU-UHFFFAOYSA-N -1 3 356.322 2.613 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000599466464 521242220 /nfs/dbraw/zinc/24/22/20/521242220.db2.gz AWZPGNXEGHNETB-XFBWCDHKSA-N -1 3 364.810 2.865 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2C ZINC000619482179 521591371 /nfs/dbraw/zinc/59/13/71/521591371.db2.gz YSNLCZULAZMEPQ-CQSZACIVSA-N -1 3 362.407 2.878 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000619486696 521593798 /nfs/dbraw/zinc/59/37/98/521593798.db2.gz QIRLRUISLZPDEW-KBPBESRZSA-N -1 3 362.407 2.513 20 5 FFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000512348729 561901589 /nfs/dbraw/zinc/90/15/89/561901589.db2.gz QEVCUUQXXAIASK-UHFFFAOYSA-N -1 3 354.370 2.827 20 5 FFBDHM Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000822351599 599037126 /nfs/dbraw/zinc/03/71/26/599037126.db2.gz PCNCJPXIOACWDO-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000822351599 599037129 /nfs/dbraw/zinc/03/71/29/599037129.db2.gz PCNCJPXIOACWDO-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM O=[N+]([O-])c1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC000738366911 599051180 /nfs/dbraw/zinc/05/11/80/599051180.db2.gz KNIKBGZJKOQTKO-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM O=[N+]([O-])c1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC000738366911 599051183 /nfs/dbraw/zinc/05/11/83/599051183.db2.gz KNIKBGZJKOQTKO-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM Cc1nc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nc2ccccc12 ZINC000737478532 598353603 /nfs/dbraw/zinc/35/36/03/598353603.db2.gz VTLXSTCUTHUHEW-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1nc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nc2ccccc12 ZINC000737478532 598353604 /nfs/dbraw/zinc/35/36/04/598353604.db2.gz VTLXSTCUTHUHEW-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1[nH]c2ccccc2c1CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737198046 598394867 /nfs/dbraw/zinc/39/48/67/598394867.db2.gz FAJNIBYMBPUBPL-UHFFFAOYSA-N -1 3 364.369 2.614 20 5 FFBDHM Cc1[nH]c2ccccc2c1CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737198046 598394869 /nfs/dbraw/zinc/39/48/69/598394869.db2.gz FAJNIBYMBPUBPL-UHFFFAOYSA-N -1 3 364.369 2.614 20 5 FFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000738176301 598499435 /nfs/dbraw/zinc/49/94/35/598499435.db2.gz XNOBHZVWZZANRW-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000738176301 598499436 /nfs/dbraw/zinc/49/94/36/598499436.db2.gz XNOBHZVWZZANRW-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738165941 598592892 /nfs/dbraw/zinc/59/28/92/598592892.db2.gz HSUXEGGYDVUXKF-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000738165941 598592893 /nfs/dbraw/zinc/59/28/93/598592893.db2.gz HSUXEGGYDVUXKF-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM Cc1ccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737317838 598673112 /nfs/dbraw/zinc/67/31/12/598673112.db2.gz OLYKSCORTNBYLX-UHFFFAOYSA-N -1 3 353.386 2.868 20 5 FFBDHM Cc1ccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737317838 598673114 /nfs/dbraw/zinc/67/31/14/598673114.db2.gz OLYKSCORTNBYLX-UHFFFAOYSA-N -1 3 353.386 2.868 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738369305 598756498 /nfs/dbraw/zinc/75/64/98/598756498.db2.gz KQSSICDBPYAFFG-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390634 599499312 /nfs/dbraw/zinc/49/93/12/599499312.db2.gz JMNBENFYUUSMIR-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390634 599499313 /nfs/dbraw/zinc/49/93/13/599499313.db2.gz JMNBENFYUUSMIR-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM CC1(C)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820595967 599518070 /nfs/dbraw/zinc/51/80/70/599518070.db2.gz LPSCFLBVVJJKRA-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM CC1(C)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820595967 599518071 /nfs/dbraw/zinc/51/80/71/599518071.db2.gz LPSCFLBVVJJKRA-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM CCOC(=O)Cc1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736600301 599536450 /nfs/dbraw/zinc/53/64/50/599536450.db2.gz UFOBIOPZRBPYQS-UHFFFAOYSA-N -1 3 368.353 2.624 20 5 FFBDHM CCOC(=O)Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000736600301 599536452 /nfs/dbraw/zinc/53/64/52/599536452.db2.gz UFOBIOPZRBPYQS-UHFFFAOYSA-N -1 3 368.353 2.624 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380781 599556451 /nfs/dbraw/zinc/55/64/51/599556451.db2.gz ZVBLZYHRGYHKNG-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380781 599556454 /nfs/dbraw/zinc/55/64/54/599556454.db2.gz ZVBLZYHRGYHKNG-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000820170197 607406889 /nfs/dbraw/zinc/40/68/89/607406889.db2.gz UGZPYSYJIPUZHJ-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000820170197 607406891 /nfs/dbraw/zinc/40/68/91/607406891.db2.gz UGZPYSYJIPUZHJ-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826293728 607447226 /nfs/dbraw/zinc/44/72/26/607447226.db2.gz ZOMVHTCOVQETKW-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826293728 607447227 /nfs/dbraw/zinc/44/72/27/607447227.db2.gz ZOMVHTCOVQETKW-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM C[C@@](CNC(=O)[O-])(NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000824952002 603574210 /nfs/dbraw/zinc/57/42/10/603574210.db2.gz GWANTXVLGILECY-AWEZNQCLSA-N -1 3 372.219 2.883 20 5 FFBDHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000829026238 604648609 /nfs/dbraw/zinc/64/86/09/604648609.db2.gz IPWMJEQJJKSVSU-INIZCTEOSA-N -1 3 371.393 2.732 20 5 FFBDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000833412222 605177781 /nfs/dbraw/zinc/17/77/81/605177781.db2.gz INBVQAXTIXMYEY-QGZVFWFLSA-N -1 3 371.393 2.975 20 5 FFBDHM CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821574796 606126710 /nfs/dbraw/zinc/12/67/10/606126710.db2.gz XLPFANSUVOJMII-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821574796 606126711 /nfs/dbraw/zinc/12/67/11/606126711.db2.gz XLPFANSUVOJMII-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1OC(F)F ZINC000823640276 606224048 /nfs/dbraw/zinc/22/40/48/606224048.db2.gz ZVHNEXISLONDMA-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1OC(F)F ZINC000823640276 606224049 /nfs/dbraw/zinc/22/40/49/606224049.db2.gz ZVHNEXISLONDMA-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820908870 606402075 /nfs/dbraw/zinc/40/20/75/606402075.db2.gz QMQVFBNCXNUSFC-NSHDSACASA-N -1 3 373.348 2.579 20 5 FFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820908870 606402077 /nfs/dbraw/zinc/40/20/77/606402077.db2.gz QMQVFBNCXNUSFC-NSHDSACASA-N -1 3 373.348 2.579 20 5 FFBDHM O=[N+]([O-])c1cnc(Oc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000823651072 606431788 /nfs/dbraw/zinc/43/17/88/606431788.db2.gz DNRLCMCUQMLXRU-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1cc(Br)ccc1Oc1ncccc1-c1nnn[n-]1 ZINC000823635043 606433213 /nfs/dbraw/zinc/43/32/13/606433213.db2.gz QHNPBGLRTNGMPU-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820501371 606507949 /nfs/dbraw/zinc/50/79/49/606507949.db2.gz IYJUVFPMSWMAQT-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820501371 606507950 /nfs/dbraw/zinc/50/79/50/606507950.db2.gz IYJUVFPMSWMAQT-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM CO[C@@H](C)c1nc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000821675384 606593610 /nfs/dbraw/zinc/59/36/10/606593610.db2.gz KKUKKBKZNPPDDJ-QMMMGPOBSA-N -1 3 361.387 2.551 20 5 FFBDHM CO[C@@H](C)c1nc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000821675384 606593612 /nfs/dbraw/zinc/59/36/12/606593612.db2.gz KKUKKBKZNPPDDJ-QMMMGPOBSA-N -1 3 361.387 2.551 20 5 FFBDHM O=[N+]([O-])c1cc(NCCOc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000823634675 606645274 /nfs/dbraw/zinc/64/52/74/606645274.db2.gz JTZYXZNEJOCGOK-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327033 606683998 /nfs/dbraw/zinc/68/39/98/606683998.db2.gz DJGSJOXBOZCLFS-GFCCVEGCSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327033 606683999 /nfs/dbraw/zinc/68/39/99/606683999.db2.gz DJGSJOXBOZCLFS-GFCCVEGCSA-N -1 3 366.381 2.585 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823070870 606806631 /nfs/dbraw/zinc/80/66/31/606806631.db2.gz SIZCCFZZHINTKM-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823070870 606806632 /nfs/dbraw/zinc/80/66/32/606806632.db2.gz SIZCCFZZHINTKM-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2COc3c2cccc3Cl)c(-c2nnn[n-]2)c1 ZINC000823639983 606878047 /nfs/dbraw/zinc/87/80/47/606878047.db2.gz OIMRSACYMJWJOV-CYBMUJFWSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2COc3c2cccc3Cl)c(-c2nn[n-]n2)c1 ZINC000823639983 606878048 /nfs/dbraw/zinc/87/80/48/606878048.db2.gz OIMRSACYMJWJOV-CYBMUJFWSA-N -1 3 358.745 2.974 20 5 FFBDHM Cc1cc(C)cc([C@H](O)COc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826264432 607873307 /nfs/dbraw/zinc/87/33/07/607873307.db2.gz OIQMWCGFGVZWPI-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc(C)cc([C@H](O)COc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826264432 607873308 /nfs/dbraw/zinc/87/33/08/607873308.db2.gz OIQMWCGFGVZWPI-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826499711 607878607 /nfs/dbraw/zinc/87/86/07/607878607.db2.gz UFNKHCNFTYTKGI-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826499711 607878608 /nfs/dbraw/zinc/87/86/08/607878608.db2.gz UFNKHCNFTYTKGI-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000824648001 607902746 /nfs/dbraw/zinc/90/27/46/607902746.db2.gz CRVRQUNPXMFMBN-RSNKEIGGSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000824648001 607902747 /nfs/dbraw/zinc/90/27/47/607902747.db2.gz CRVRQUNPXMFMBN-RSNKEIGGSA-N -1 3 372.410 2.685 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c3ccccc3[nH]c2C1 ZINC000826497273 607969221 /nfs/dbraw/zinc/96/92/21/607969221.db2.gz AIPQNKADGKUEHO-UHFFFAOYSA-N -1 3 361.365 2.819 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c3ccccc3[nH]c2C1 ZINC000826497273 607969222 /nfs/dbraw/zinc/96/92/22/607969222.db2.gz AIPQNKADGKUEHO-UHFFFAOYSA-N -1 3 361.365 2.819 20 5 FFBDHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826475825 608181245 /nfs/dbraw/zinc/18/12/45/608181245.db2.gz SCYOWVVWKPIQBA-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826475825 608181247 /nfs/dbraw/zinc/18/12/47/608181247.db2.gz SCYOWVVWKPIQBA-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM CCCCn1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)n1 ZINC000825300978 608294048 /nfs/dbraw/zinc/29/40/48/608294048.db2.gz GOSJEBHZKZWMFZ-UHFFFAOYSA-N -1 3 356.390 2.692 20 5 FFBDHM CCCCn1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(C)n1 ZINC000825300978 608294050 /nfs/dbraw/zinc/29/40/50/608294050.db2.gz GOSJEBHZKZWMFZ-UHFFFAOYSA-N -1 3 356.390 2.692 20 5 FFBDHM CC(=O)c1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c([N+](=O)[O-])c1 ZINC000824030135 608398455 /nfs/dbraw/zinc/39/84/55/608398455.db2.gz VXKJBWLQPALAKF-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2cccc(-c3nn[n-]n3)c2F)c([N+](=O)[O-])c1 ZINC000824030135 608398457 /nfs/dbraw/zinc/39/84/57/608398457.db2.gz VXKJBWLQPALAKF-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM O=[N+]([O-])c1cccc2ncnc(Sc3cccc(-c4nnn[n-]4)c3)c21 ZINC000826500262 609214162 /nfs/dbraw/zinc/21/41/62/609214162.db2.gz QPDRCRVXUYNUMF-UHFFFAOYSA-N -1 3 351.351 2.869 20 5 FFBDHM O=[N+]([O-])c1cccc2ncnc(Sc3cccc(-c4nn[n-]n4)c3)c21 ZINC000826500262 609214163 /nfs/dbraw/zinc/21/41/63/609214163.db2.gz QPDRCRVXUYNUMF-UHFFFAOYSA-N -1 3 351.351 2.869 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCc2ccc(F)c(F)c2F)c(-c2nnn[n-]2)c1 ZINC000826498764 609591901 /nfs/dbraw/zinc/59/19/01/609591901.db2.gz IVNZWXXETMCTFY-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCc2ccc(F)c(F)c2F)c(-c2nn[n-]n2)c1 ZINC000826498764 609591903 /nfs/dbraw/zinc/59/19/03/609591903.db2.gz IVNZWXXETMCTFY-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])s1 ZINC000826465714 609615212 /nfs/dbraw/zinc/61/52/12/609615212.db2.gz YTMRZSPWZTWJKP-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])s1 ZINC000826465714 609615213 /nfs/dbraw/zinc/61/52/13/609615213.db2.gz YTMRZSPWZTWJKP-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM COc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000123891680 728663947 /nfs/dbraw/zinc/66/39/47/728663947.db2.gz YKVFNYYSGAVDFM-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM Cc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000176674766 729116403 /nfs/dbraw/zinc/11/64/03/729116403.db2.gz YSDODNMAYXDDPZ-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM CC(C)n1cc2c(n1)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000780413607 738541764 /nfs/dbraw/zinc/54/17/64/738541764.db2.gz SPBPVIZSKHVQMN-CYBMUJFWSA-N -1 3 364.427 2.728 20 5 FFBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000780913831 738588220 /nfs/dbraw/zinc/58/82/20/738588220.db2.gz PNCSOURRPHHKGY-RKDXNWHRSA-N -1 3 363.233 2.824 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3)c(Cl)c1 ZINC000907658478 736653258 /nfs/dbraw/zinc/65/32/58/736653258.db2.gz AIHWFHDFJYWTNG-UQPYNNQESA-N -1 3 362.860 2.953 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)cc1C ZINC000918743468 737822817 /nfs/dbraw/zinc/82/28/17/737822817.db2.gz KCCWRUKMAHPHHT-VIFPVBQESA-N -1 3 353.227 2.684 20 5 FFBDHM Cc1ccc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])c1Br ZINC000786820862 739079704 /nfs/dbraw/zinc/07/97/04/739079704.db2.gz SAIAIIITXDNHNO-UHFFFAOYSA-N -1 3 365.187 2.724 20 5 FFBDHM COc1ccc(CCS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000800785360 740548384 /nfs/dbraw/zinc/54/83/84/740548384.db2.gz GJHGPWDGEYTITG-UHFFFAOYSA-N -1 3 350.396 2.896 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000803636695 740815834 /nfs/dbraw/zinc/81/58/34/740815834.db2.gz DJJWCWPDYDTYHB-UHFFFAOYSA-N -1 3 370.119 2.549 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000810318900 741408471 /nfs/dbraw/zinc/40/84/71/741408471.db2.gz RHNABPSWUQSEHK-UHFFFAOYSA-N -1 3 358.280 2.616 20 5 FFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000811831796 741564781 /nfs/dbraw/zinc/56/47/81/741564781.db2.gz HBCFNKXFBOHJCB-UHFFFAOYSA-N -1 3 370.770 2.836 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1 ZINC000813713287 741753709 /nfs/dbraw/zinc/75/37/09/741753709.db2.gz FSKBPYCWMQQGKZ-UHFFFAOYSA-N -1 3 354.762 2.880 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000815054108 741891644 /nfs/dbraw/zinc/89/16/44/741891644.db2.gz HMGAMXHTTNNTHP-UHFFFAOYSA-N -1 3 373.818 2.894 20 5 FFBDHM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000848591735 748969026 /nfs/dbraw/zinc/96/90/26/748969026.db2.gz NWSGIPJJGKGCHH-BXKDBHETSA-N -1 3 352.297 2.585 20 5 FFBDHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000848591739 748969382 /nfs/dbraw/zinc/96/93/82/748969382.db2.gz NWSGIPJJGKGCHH-CABZTGNLSA-N -1 3 352.297 2.585 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c1 ZINC000849460204 749165017 /nfs/dbraw/zinc/16/50/17/749165017.db2.gz HKGKIAXLKYCXSZ-NSHDSACASA-N -1 3 354.762 2.880 20 5 FFBDHM CN(C(=O)OC(C)(C)C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853296274 750045100 /nfs/dbraw/zinc/04/51/00/750045100.db2.gz IQPQENKHENCMOT-UHFFFAOYSA-N -1 3 352.391 2.531 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000853698689 750138743 /nfs/dbraw/zinc/13/87/43/750138743.db2.gz RTMVCCCHGRXZQB-WDEREUQCSA-N -1 3 352.391 2.799 20 5 FFBDHM C[C@H]1[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311528749 963486667 /nfs/dbraw/zinc/48/66/67/963486667.db2.gz AKMGQLAZOWSZNK-SWLSCSKDSA-N -1 3 356.382 2.763 20 5 FFBDHM Cc1ccc([C@@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000178531937 976367759 /nfs/dbraw/zinc/36/77/59/976367759.db2.gz RTLNFGROLZQDKT-HMHNVIDESA-N -1 3 351.362 2.865 20 5 FFBDHM CCN(CC)Cc1ccc(C(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)o1 ZINC001596276578 983696958 /nfs/dbraw/zinc/69/69/58/983696958.db2.gz NBTDOBBIZOWLFQ-UHFFFAOYSA-N -1 3 362.338 2.947 20 5 FFBDHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000913295061 984234259 /nfs/dbraw/zinc/23/42/59/984234259.db2.gz AAFZEVHWJJQKHD-SNVBAGLBSA-N -1 3 370.321 2.762 20 5 FFBDHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000913295061 984234261 /nfs/dbraw/zinc/23/42/61/984234261.db2.gz AAFZEVHWJJQKHD-SNVBAGLBSA-N -1 3 370.321 2.762 20 5 FFBDHM CCOC(=O)CC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001596602176 984561236 /nfs/dbraw/zinc/56/12/36/984561236.db2.gz RYFFXXNHQOUVDJ-CYBMUJFWSA-N -1 3 364.398 2.848 20 5 FFBDHM COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598786653 996035024 /nfs/dbraw/zinc/03/50/24/996035024.db2.gz DNRYRMRAOQXXPP-GUYCJALGSA-N -1 3 350.371 2.505 20 5 FFBDHM CC(C)OC(=O)NCc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000735124957 999391991 /nfs/dbraw/zinc/39/19/91/999391991.db2.gz HGFQIGIPDDVZBU-UHFFFAOYSA-N -1 3 374.353 2.582 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000736197000 999547946 /nfs/dbraw/zinc/54/79/46/999547946.db2.gz RGCPXSGJSYMPKU-UHFFFAOYSA-N -1 3 363.257 2.681 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001169074548 1000020148 /nfs/dbraw/zinc/02/01/48/1000020148.db2.gz KGVOCSVWRPEYFA-UHFFFAOYSA-N -1 3 362.773 2.941 20 5 FFBDHM COc1c([O-])ccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001184428472 1002613790 /nfs/dbraw/zinc/61/37/90/1002613790.db2.gz MEJNLBFRXYZOAE-NSHDSACASA-N -1 3 361.402 2.601 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)cc1F ZINC001185413705 1002948704 /nfs/dbraw/zinc/94/87/04/1002948704.db2.gz WXTVBQKSQXCUBX-OLZOCXBDSA-N -1 3 373.450 2.584 20 5 FFBDHM CC1CC(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001192914627 1004319679 /nfs/dbraw/zinc/31/96/79/1004319679.db2.gz UVRBSYOSCGSGFL-UHFFFAOYSA-N -1 3 352.334 2.938 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@@H]1F ZINC001194681389 1004791566 /nfs/dbraw/zinc/79/15/66/1004791566.db2.gz MHKGRJUWXJGXLQ-SWLSCSKDSA-N -1 3 366.370 2.653 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nccn3c(Br)cnc23)c1 ZINC001199814356 1005034754 /nfs/dbraw/zinc/03/47/54/1005034754.db2.gz HMHOURMCPAMBJQ-UHFFFAOYSA-N -1 3 350.132 2.849 20 5 FFBDHM C[S@@](=O)(=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC001134852987 1006505048 /nfs/dbraw/zinc/50/50/48/1006505048.db2.gz ZLGVHIQKOQBVCC-VWLOTQADSA-N -1 3 362.342 2.907 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000853712212 1006512841 /nfs/dbraw/zinc/51/28/41/1006512841.db2.gz GTJWYNAZUMWLCM-VXGBXAGGSA-N -1 3 364.402 2.943 20 5 FFBDHM Cc1ccc(F)c(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC001190373876 1007618638 /nfs/dbraw/zinc/61/86/38/1007618638.db2.gz ZOGAVQOXYOVVMU-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2[n-]nnc21 ZINC000800262938 1020172607 /nfs/dbraw/zinc/17/26/07/1020172607.db2.gz QWIMRYVNFMLWCY-UHFFFAOYSA-N -1 3 360.301 2.631 20 5 FFBDHM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2nn[n-]c21 ZINC000800262938 1020172611 /nfs/dbraw/zinc/17/26/11/1020172611.db2.gz QWIMRYVNFMLWCY-UHFFFAOYSA-N -1 3 360.301 2.631 20 5 FFBDHM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)cc2n[n-]nc21 ZINC000800262938 1020172617 /nfs/dbraw/zinc/17/26/17/1020172617.db2.gz QWIMRYVNFMLWCY-UHFFFAOYSA-N -1 3 360.301 2.631 20 5 FFBDHM COc1nc(SC)nc([N-][C@H]2C(=O)Nc3ccc(C)cc32)c1[N+](=O)[O-] ZINC001162567192 1028582142 /nfs/dbraw/zinc/58/21/42/1028582142.db2.gz ULCDSNTYYQGXPP-SNVBAGLBSA-N -1 3 361.383 2.529 20 5 FFBDHM C/C=C/C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC001138130601 1033818090 /nfs/dbraw/zinc/81/80/90/1033818090.db2.gz BAUWNFXBIPQTAM-MASHWEEQSA-N -1 3 356.325 2.701 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2ccc3c([O-])coc3c2)C1 ZINC001225341301 1034214970 /nfs/dbraw/zinc/21/49/70/1034214970.db2.gz YNGFVSCPVQGWEG-LBPRGKRZSA-N -1 3 358.325 2.967 20 5 FFBDHM CCc1nc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])sc1C(=O)OC ZINC001536445612 1069981615 /nfs/dbraw/zinc/98/16/15/1069981615.db2.gz FMLQXZJQGJKUGU-UHFFFAOYSA-N -1 3 353.331 2.792 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccc3ccccc32)nc1 ZINC001208434076 1038313717 /nfs/dbraw/zinc/31/37/17/1038313717.db2.gz LDJFKAKIJXSYEW-UHFFFAOYSA-N -1 3 373.390 2.500 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(Cc3ccccc3)o2)c1Br ZINC001253561490 1040242371 /nfs/dbraw/zinc/24/23/71/1040242371.db2.gz BRAVEOAONNMQHG-UHFFFAOYSA-N -1 3 350.132 2.721 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(Cc3ccccc3)o2)c1Br ZINC001253561490 1040242382 /nfs/dbraw/zinc/24/23/82/1040242382.db2.gz BRAVEOAONNMQHG-UHFFFAOYSA-N -1 3 350.132 2.721 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c(Cl)c1 ZINC001261580110 1041315824 /nfs/dbraw/zinc/31/58/24/1041315824.db2.gz JAXXHGKLQYGBHL-QNSHHTMESA-N -1 3 366.773 2.960 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc(Br)co2)cc([N+](=O)[O-])c1 ZINC001538672727 1070472058 /nfs/dbraw/zinc/47/20/58/1070472058.db2.gz ZHICUOKYILQWGG-UHFFFAOYSA-N -1 3 369.127 2.989 20 5 FFBDHM COC(=O)[C@@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC[C@@H](C)CC1 ZINC001328633142 1048390776 /nfs/dbraw/zinc/39/07/76/1048390776.db2.gz HLZDAHNUXDSCCW-SXUIPJSXSA-N -1 3 370.352 2.925 20 5 FFBDHM CC1(c2nnc(-c3cccc(F)c3)o2)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001307171191 1049714905 /nfs/dbraw/zinc/71/49/05/1049714905.db2.gz RBVOSAYHHWMGNG-UHFFFAOYSA-N -1 3 371.328 2.662 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)nc1 ZINC001308993000 1052534166 /nfs/dbraw/zinc/53/41/66/1052534166.db2.gz LZCXKKKBGSVLPI-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC001452523350 1059236809 /nfs/dbraw/zinc/23/68/09/1059236809.db2.gz FTCONJXWXKHHGM-UHFFFAOYSA-N -1 3 364.383 2.994 20 5 FFBDHM Cc1cc(=O)[n-]c(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001452735037 1059288813 /nfs/dbraw/zinc/28/88/13/1059288813.db2.gz KDRHGPFNAQUTME-UHFFFAOYSA-N -1 3 357.153 2.636 20 5 FFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC001475749046 1061251862 /nfs/dbraw/zinc/25/18/62/1061251862.db2.gz FDTLHQYLNNEWOX-BDAKNGLRSA-N -1 3 350.849 2.811 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC001463978450 1062360339 /nfs/dbraw/zinc/36/03/39/1062360339.db2.gz WENZTZFQKYFFBC-DGCLKSJQSA-N -1 3 360.457 2.591 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001463986961 1062366998 /nfs/dbraw/zinc/36/69/98/1062366998.db2.gz SMODLZLSAGUPPW-HOCLYGCPSA-N -1 3 372.418 2.668 20 5 FFBDHM CCOc1nc(C(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)co1 ZINC001435762818 1062556094 /nfs/dbraw/zinc/55/60/94/1062556094.db2.gz DKKQHPOEGSNILU-UHFFFAOYSA-N -1 3 356.132 2.996 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001436650309 1062760577 /nfs/dbraw/zinc/76/05/77/1062760577.db2.gz XCWRGVOYIOXUCG-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CC(C)n1cnnc1-c1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001465633982 1063163389 /nfs/dbraw/zinc/16/33/89/1063163389.db2.gz GPIONJWEEUDERE-UHFFFAOYSA-N -1 3 368.353 2.787 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001442655320 1063552200 /nfs/dbraw/zinc/55/22/00/1063552200.db2.gz DNPRZKHNYLKVQG-LSDHHAIUSA-N -1 3 350.338 2.517 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001442655320 1063552220 /nfs/dbraw/zinc/55/22/20/1063552220.db2.gz DNPRZKHNYLKVQG-LSDHHAIUSA-N -1 3 350.338 2.517 20 5 FFBDHM Cc1ccc(C(=O)NCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c([O-])c1 ZINC001471819546 1064803730 /nfs/dbraw/zinc/80/37/30/1064803730.db2.gz ZPNBGWVMOMENSV-UHFFFAOYSA-N -1 3 354.366 2.848 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)n1 ZINC001472877108 1065164456 /nfs/dbraw/zinc/16/44/56/1065164456.db2.gz CMGNAJOTJBUSGS-ZDUSSCGKSA-N -1 3 366.381 2.638 20 5 FFBDHM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1C)c1cccc([N+](=O)[O-])c1 ZINC001578474812 1078478227 /nfs/dbraw/zinc/47/82/27/1078478227.db2.gz UVCHRLRZCXHHBP-INIZCTEOSA-N -1 3 366.381 2.964 20 5 FFBDHM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1C)c1cccc([N+](=O)[O-])c1 ZINC001578474812 1078478230 /nfs/dbraw/zinc/47/82/30/1078478230.db2.gz UVCHRLRZCXHHBP-INIZCTEOSA-N -1 3 366.381 2.964 20 5 FFBDHM COc1cc(F)cc(C[C@H](C)Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001579933062 1078718388 /nfs/dbraw/zinc/71/83/88/1078718388.db2.gz KDJWMTOPLWJJJJ-JTQLQIEISA-N -1 3 372.360 2.966 20 5 FFBDHM COc1cc(F)cc(C[C@H](C)Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001579933062 1078718393 /nfs/dbraw/zinc/71/83/93/1078718393.db2.gz KDJWMTOPLWJJJJ-JTQLQIEISA-N -1 3 372.360 2.966 20 5 FFBDHM Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC001581200370 1078935148 /nfs/dbraw/zinc/93/51/48/1078935148.db2.gz KFWJYFNMVFGUST-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC001581200370 1078935153 /nfs/dbraw/zinc/93/51/53/1078935153.db2.gz KFWJYFNMVFGUST-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001581213823 1078939657 /nfs/dbraw/zinc/93/96/57/1078939657.db2.gz MEPBJGSBLWVUDY-LBPRGKRZSA-N -1 3 367.365 2.868 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581213823 1078939664 /nfs/dbraw/zinc/93/96/64/1078939664.db2.gz MEPBJGSBLWVUDY-LBPRGKRZSA-N -1 3 367.365 2.868 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)c1C ZINC001581213731 1078939853 /nfs/dbraw/zinc/93/98/53/1078939853.db2.gz HZMSVDGZZYAFEU-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)c1C ZINC001581213731 1078939859 /nfs/dbraw/zinc/93/98/59/1078939859.db2.gz HZMSVDGZZYAFEU-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM Cc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1[N+](=O)[O-] ZINC001557986811 1075922324 /nfs/dbraw/zinc/92/23/24/1075922324.db2.gz SMVUTDKIGPIIPU-UHFFFAOYSA-N -1 3 373.315 2.953 20 5 FFBDHM O=c1cc([C@H]2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C2)[n-][nH]1 ZINC001559227237 1076137106 /nfs/dbraw/zinc/13/71/06/1076137106.db2.gz IWMCYHSNBVPTQL-QMMMGPOBSA-N -1 3 360.761 2.614 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2sc(C)nc2C)c([N+](=O)[O-])s1 ZINC001561240749 1076350480 /nfs/dbraw/zinc/35/04/80/1076350480.db2.gz LDATVUPFWZBWKL-UHFFFAOYSA-N -1 3 361.470 2.559 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)c([N+](=O)[O-])s1 ZINC001561549612 1076391578 /nfs/dbraw/zinc/39/15/78/1076391578.db2.gz PXPPXNFFJDBJGW-UHFFFAOYSA-N -1 3 367.452 2.760 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2cc(C)ccc2F)c([N+](=O)[O-])s1 ZINC001561572961 1076393892 /nfs/dbraw/zinc/39/38/92/1076393892.db2.gz WTAIBVVRIPTCJO-UHFFFAOYSA-N -1 3 358.416 2.933 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCc3cccnc32)c(Cl)c1 ZINC001561842468 1076432288 /nfs/dbraw/zinc/43/22/88/1076432288.db2.gz VLXXTMKLUWFKQD-LLVKDONJSA-N -1 3 367.814 2.652 20 5 FFBDHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001589032193 1080314303 /nfs/dbraw/zinc/31/43/03/1080314303.db2.gz KAIRJSCEKCUYTA-SECBINFHSA-N -1 3 357.301 2.623 20 5 FFBDHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001589032193 1080314311 /nfs/dbraw/zinc/31/43/11/1080314311.db2.gz KAIRJSCEKCUYTA-SECBINFHSA-N -1 3 357.301 2.623 20 5 FFBDHM CC(C)(C)[C@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001589105408 1080357423 /nfs/dbraw/zinc/35/74/23/1080357423.db2.gz WCTIDNGBWKXVPN-CQSZACIVSA-N -1 3 364.381 2.555 20 5 FFBDHM CC(C)(C)[C@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001589105408 1080357430 /nfs/dbraw/zinc/35/74/30/1080357430.db2.gz WCTIDNGBWKXVPN-CQSZACIVSA-N -1 3 364.381 2.555 20 5 FFBDHM CC(C)(NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001589322053 1080482163 /nfs/dbraw/zinc/48/21/63/1080482163.db2.gz ODTQVAIAYQLHJG-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)(NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001589322053 1080482165 /nfs/dbraw/zinc/48/21/65/1080482165.db2.gz ODTQVAIAYQLHJG-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)CN(Cc1cccnc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589628897 1080642598 /nfs/dbraw/zinc/64/25/98/1080642598.db2.gz PWEUCXMXJIJUGL-UHFFFAOYSA-N -1 3 353.386 2.833 20 5 FFBDHM CC(C)COc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cn1 ZINC001589648398 1080650025 /nfs/dbraw/zinc/65/00/25/1080650025.db2.gz PCSUWKVXLHCENX-UHFFFAOYSA-N -1 3 371.357 2.579 20 5 FFBDHM CC(C)COc1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cn1 ZINC001589648398 1080650032 /nfs/dbraw/zinc/65/00/32/1080650032.db2.gz PCSUWKVXLHCENX-UHFFFAOYSA-N -1 3 371.357 2.579 20 5 FFBDHM CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC001589736524 1080693565 /nfs/dbraw/zinc/69/35/65/1080693565.db2.gz XKWZAZDQVIARBW-SECBINFHSA-N -1 3 362.329 2.542 20 5 FFBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])Cc2ccccc2O1 ZINC001590105627 1081018087 /nfs/dbraw/zinc/01/80/87/1081018087.db2.gz FDPZJXXBZXFQKA-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])Cc2ccccc2O1 ZINC001590105627 1081018092 /nfs/dbraw/zinc/01/80/92/1081018092.db2.gz FDPZJXXBZXFQKA-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM Cn1ncc2cc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)cnc21 ZINC000531341161 540092737 /nfs/dbraw/zinc/09/27/37/540092737.db2.gz KXJUNZSHDUQIPW-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121065712 209354856 /nfs/dbraw/zinc/35/48/56/209354856.db2.gz ZJKGORAEQLSKOZ-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121065712 209354861 /nfs/dbraw/zinc/35/48/61/209354861.db2.gz ZJKGORAEQLSKOZ-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000010293090 249315865 /nfs/dbraw/zinc/31/58/65/249315865.db2.gz DPGGRYKMDIPFSL-UHFFFAOYSA-N -1 3 369.377 2.791 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)cc1C ZINC000106891193 250295790 /nfs/dbraw/zinc/29/57/90/250295790.db2.gz JXMMKJSWBRFXBN-CQSZACIVSA-N -1 3 367.471 2.507 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000272426480 252036860 /nfs/dbraw/zinc/03/68/60/252036860.db2.gz OEYMICOYVJNYCP-ZDUSSCGKSA-N -1 3 354.384 2.552 20 5 FFBDHM C[C@@](O)(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000272435734 252038661 /nfs/dbraw/zinc/03/86/61/252038661.db2.gz ZJJIQOUZRWGTOP-CQSZACIVSA-N -1 3 356.350 2.772 20 5 FFBDHM Cn1ncc2c1CCC[C@@H]2[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272514045 252056033 /nfs/dbraw/zinc/05/60/33/252056033.db2.gz KMPYSRKGTMBJNS-ZDUSSCGKSA-N -1 3 350.325 2.614 20 5 FFBDHM COc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC000288269685 257167718 /nfs/dbraw/zinc/16/77/18/257167718.db2.gz KDWJRONSEMZCAX-UHFFFAOYSA-N -1 3 360.366 2.632 20 5 FFBDHM CCc1nn(C)c(Sc2nnc([N-]CC(F)(F)F)s2)c1[N+](=O)[O-] ZINC000288153338 257152575 /nfs/dbraw/zinc/15/25/75/257152575.db2.gz OORFLQLZKPDOAZ-UHFFFAOYSA-N -1 3 368.366 2.868 20 5 FFBDHM CN1CCc2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc21 ZINC000302081988 258086509 /nfs/dbraw/zinc/08/65/09/258086509.db2.gz LVVCDPZTUVXQLT-UHFFFAOYSA-N -1 3 353.425 2.796 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000330646270 258167363 /nfs/dbraw/zinc/16/73/63/258167363.db2.gz FNXLPQNRMCSQQZ-UHFFFAOYSA-N -1 3 356.444 2.514 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000330846919 258172103 /nfs/dbraw/zinc/17/21/03/258172103.db2.gz OISZMMJNSRJTLT-JQWIXIFHSA-N -1 3 360.457 2.556 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000065278259 506280376 /nfs/dbraw/zinc/28/03/76/506280376.db2.gz ZCWDGUDVEQRSKM-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(C)cc1C ZINC000065278211 506281389 /nfs/dbraw/zinc/28/13/89/506281389.db2.gz JOPWFCNJTNVYFU-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000065793964 506366497 /nfs/dbraw/zinc/36/64/97/506366497.db2.gz OTNGDRQKYWTARS-ZDUSSCGKSA-N -1 3 364.423 2.903 20 5 FFBDHM C[C@@H]1[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000377347243 512225826 /nfs/dbraw/zinc/22/58/26/512225826.db2.gz QVJKBELFWPQPOR-DYVFJYSZSA-N -1 3 355.394 2.693 20 5 FFBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000790 506409340 /nfs/dbraw/zinc/40/93/40/506409340.db2.gz BCLWKVVPNLIQRG-UHFFFAOYSA-N -1 3 356.425 2.924 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000066280349 506468413 /nfs/dbraw/zinc/46/84/13/506468413.db2.gz QEXOQNAVICLJCQ-UHFFFAOYSA-N -1 3 356.306 2.529 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc3O2)c(Cl)c1 ZINC000056043888 506917983 /nfs/dbraw/zinc/91/79/83/506917983.db2.gz ZOZGKUJVNQWEFN-LBPRGKRZSA-N -1 3 368.798 2.530 20 5 FFBDHM COCc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000056066972 506924139 /nfs/dbraw/zinc/92/41/39/506924139.db2.gz WMYVERGWXRAYSW-UHFFFAOYSA-N -1 3 370.814 2.873 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOc1ccccc1 ZINC000046036191 507066323 /nfs/dbraw/zinc/06/63/23/507066323.db2.gz OAAFSZIVEINGOM-UHFFFAOYSA-N -1 3 350.396 2.651 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000023397929 507350307 /nfs/dbraw/zinc/35/03/07/507350307.db2.gz ROZUUIOWEJCJEH-LBPRGKRZSA-N -1 3 350.396 2.685 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000025374967 507494684 /nfs/dbraw/zinc/49/46/84/507494684.db2.gz JPMPOSRASYVFPM-NXEZZACHSA-N -1 3 352.334 2.994 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000030772402 507813136 /nfs/dbraw/zinc/81/31/36/507813136.db2.gz GVVRQCKUCWAGQT-UHFFFAOYSA-N -1 3 367.452 2.604 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000108402025 507893102 /nfs/dbraw/zinc/89/31/02/507893102.db2.gz GJTARZYINLHZPL-UHFFFAOYSA-N -1 3 350.396 2.569 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000080616082 508088842 /nfs/dbraw/zinc/08/88/42/508088842.db2.gz RAEACRGMWUBPRQ-GFCCVEGCSA-N -1 3 350.824 2.588 20 5 FFBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000093931844 508161815 /nfs/dbraw/zinc/16/18/15/508161815.db2.gz OMWUEUWLDWZYKD-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416400507 513751880 /nfs/dbraw/zinc/75/18/80/513751880.db2.gz KAXZVKMYRWSVRT-SSDOTTSWSA-N -1 3 358.363 2.643 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000113428373 508267568 /nfs/dbraw/zinc/26/75/68/508267568.db2.gz OCQIVOIUGPYBHU-UHFFFAOYSA-N -1 3 357.301 2.780 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC000084661661 508289121 /nfs/dbraw/zinc/28/91/21/508289121.db2.gz GCZMYPOOIHODTN-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c(F)c1 ZINC000077393514 508310325 /nfs/dbraw/zinc/31/03/25/508310325.db2.gz FKQMGEIIBIBLDV-UHFFFAOYSA-N -1 3 350.371 2.958 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)c(F)c1 ZINC000134665658 508556438 /nfs/dbraw/zinc/55/64/38/508556438.db2.gz ZOWPHBNNQBJGKM-GFCCVEGCSA-N -1 3 372.418 2.894 20 5 FFBDHM C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000117114797 508580214 /nfs/dbraw/zinc/58/02/14/508580214.db2.gz RUBFJVISBUPNEA-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM CCc1ccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000117595380 508606820 /nfs/dbraw/zinc/60/68/20/508606820.db2.gz DSWCERCVIIPYNL-UHFFFAOYSA-N -1 3 356.425 2.706 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(Cl)c1 ZINC000154302401 508755989 /nfs/dbraw/zinc/75/59/89/508755989.db2.gz NFBSZTNQDPABTI-UHOFOFEASA-N -1 3 364.810 2.865 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccnc(OC(C)C)c1 ZINC000158949607 508772964 /nfs/dbraw/zinc/77/29/64/508772964.db2.gz NDEYZQBVVJBQAL-UHFFFAOYSA-N -1 3 365.411 2.564 20 5 FFBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124122592 508785956 /nfs/dbraw/zinc/78/59/56/508785956.db2.gz WQIKOYGPXXHAJF-UWVGGRQHSA-N -1 3 350.487 2.917 20 5 FFBDHM CC(C)N(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000119512444 508810616 /nfs/dbraw/zinc/81/06/16/508810616.db2.gz OGNWBHPWEZWOLE-UHFFFAOYSA-N -1 3 363.867 2.645 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2c(F)cccc2F)cc([N+](=O)[O-])c1 ZINC000145344725 508844258 /nfs/dbraw/zinc/84/42/58/508844258.db2.gz DHZMIIPPXGSWMC-UHFFFAOYSA-N -1 3 356.306 2.529 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)cc1C ZINC000155015622 508904274 /nfs/dbraw/zinc/90/42/74/508904274.db2.gz JKVKSNAIKXOUFB-HNNXBMFYSA-N -1 3 358.460 2.533 20 5 FFBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000159901678 508908148 /nfs/dbraw/zinc/90/81/48/508908148.db2.gz QQVOWLDHWBQWCP-NSHDSACASA-N -1 3 367.427 2.726 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000131446530 508933223 /nfs/dbraw/zinc/93/32/23/508933223.db2.gz PFRORORCHDUBIK-INIZCTEOSA-N -1 3 364.423 2.878 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000131830320 508974227 /nfs/dbraw/zinc/97/42/27/508974227.db2.gz GNXQNPZYJIWLCP-CYBMUJFWSA-N -1 3 372.406 2.820 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c1C ZINC000120995237 509105792 /nfs/dbraw/zinc/10/57/92/509105792.db2.gz MTGJGPLNRKFHHG-ZDUSSCGKSA-N -1 3 365.455 2.850 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC000121089177 509125337 /nfs/dbraw/zinc/12/53/37/509125337.db2.gz WUVQSVNEKLEUFG-INIZCTEOSA-N -1 3 364.423 2.878 20 5 FFBDHM CC(C)c1ccc([C@H](N)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000236782884 509503451 /nfs/dbraw/zinc/50/34/51/509503451.db2.gz SEIXBMAQTHOAOB-CYBMUJFWSA-N -1 3 369.468 2.758 20 5 FFBDHM CCc1nnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)o1 ZINC000173318781 509528416 /nfs/dbraw/zinc/52/84/16/509528416.db2.gz QZCRXAMAGNQBDG-UHFFFAOYSA-N -1 3 355.310 2.560 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183018787 509550396 /nfs/dbraw/zinc/55/03/96/509550396.db2.gz OKONZCAESCBHFO-NWDGAFQWSA-N -1 3 373.500 2.588 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000186190204 509568099 /nfs/dbraw/zinc/56/80/99/509568099.db2.gz BQMQVADKPYTLRP-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000167320529 509629526 /nfs/dbraw/zinc/62/95/26/509629526.db2.gz UYPYIWQOWDWWOS-MAZHCROVSA-N -1 3 366.439 2.529 20 5 FFBDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000173491918 509633987 /nfs/dbraw/zinc/63/39/87/509633987.db2.gz DGIQVVJFQFHVAM-UHFFFAOYSA-N -1 3 353.400 2.965 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@@H]1COc2ccccc21 ZINC000167610899 509636683 /nfs/dbraw/zinc/63/66/83/509636683.db2.gz VMTNCNMXHCPISP-OCCSQVGLSA-N -1 3 362.407 2.746 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(C)cccc1F ZINC000186374219 509678207 /nfs/dbraw/zinc/67/82/07/509678207.db2.gz RWFULDKEHLMEGF-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM COc1cc(CNCc2cc(COC(C)(C)C)on2)c([N+](=O)[O-])cc1[O-] ZINC000186429385 509703793 /nfs/dbraw/zinc/70/37/93/509703793.db2.gz SFDRLZUSBZWHTE-UHFFFAOYSA-N -1 3 365.386 2.902 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(OCCN(C)C)c1 ZINC000180046953 509724940 /nfs/dbraw/zinc/72/49/40/509724940.db2.gz JDHBOLHXBPAOAK-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2nccs2)cc1C ZINC000186677912 509845844 /nfs/dbraw/zinc/84/58/44/509845844.db2.gz JTEIPQVJTOBJBX-NSHDSACASA-N -1 3 355.441 2.750 20 5 FFBDHM Cc1nc(C)c(CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c(=O)[n-]1 ZINC000268296341 509858017 /nfs/dbraw/zinc/85/80/17/509858017.db2.gz ZTXDRDRIJXTZSO-UHFFFAOYSA-N -1 3 364.789 2.610 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000189991842 509870983 /nfs/dbraw/zinc/87/09/83/509870983.db2.gz NZUJLBFJDLVSRY-GFCCVEGCSA-N -1 3 350.396 2.957 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000173976956 509886440 /nfs/dbraw/zinc/88/64/40/509886440.db2.gz SVAUIOLGLHRQFO-CQSZACIVSA-N -1 3 370.814 2.914 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000171042498 509904028 /nfs/dbraw/zinc/90/40/28/509904028.db2.gz YTYPUUYIPBDLCX-NVXWUHKLSA-N -1 3 362.407 2.793 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000186823225 509906139 /nfs/dbraw/zinc/90/61/39/509906139.db2.gz ARVDBLOWGOUMIL-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000187169959 510099919 /nfs/dbraw/zinc/09/99/19/510099919.db2.gz DNEZQZMIZFJDJE-UHFFFAOYSA-N -1 3 362.285 2.822 20 5 FFBDHM CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000194019238 510177414 /nfs/dbraw/zinc/17/74/14/510177414.db2.gz LJOVSTMCCQAJRP-UHFFFAOYSA-N -1 3 370.374 2.788 20 5 FFBDHM CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000187453572 510273798 /nfs/dbraw/zinc/27/37/98/510273798.db2.gz YMRTZFUZUQJGIU-SFHVURJKSA-N -1 3 369.421 2.941 20 5 FFBDHM COc1ccc(-c2nnc([N-]C(=O)c3c(N)cccc3[N+](=O)[O-])s2)cc1 ZINC000181274046 510333091 /nfs/dbraw/zinc/33/30/91/510333091.db2.gz WFHTUGQEOFDYRN-UHFFFAOYSA-N -1 3 371.378 2.956 20 5 FFBDHM Cc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc([N+](=O)[O-])c1 ZINC000194418691 510354272 /nfs/dbraw/zinc/35/42/72/510354272.db2.gz MIKAIPHNXHSENE-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000187829047 510458534 /nfs/dbraw/zinc/45/85/34/510458534.db2.gz VXTXPRVDUTTWRH-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000187831540 510459810 /nfs/dbraw/zinc/45/98/10/510459810.db2.gz XAICURNUWZAOAQ-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM COc1cc(CNc2ccc(C(=O)N(C)C)c(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000194915205 510587350 /nfs/dbraw/zinc/58/73/50/510587350.db2.gz JLQFZRKECKROAM-UHFFFAOYSA-N -1 3 359.382 2.931 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3c(C)cccc3[N+](=O)[O-])[n-]c21 ZINC000194933308 510598845 /nfs/dbraw/zinc/59/88/45/510598845.db2.gz PVVBYOOHUARILR-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)cccc3[N+](=O)[O-])nc21 ZINC000194933308 510598853 /nfs/dbraw/zinc/59/88/53/510598853.db2.gz PVVBYOOHUARILR-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000175429317 510643515 /nfs/dbraw/zinc/64/35/15/510643515.db2.gz LDILKOMDKHYXEA-OAHLLOKOSA-N -1 3 356.444 2.859 20 5 FFBDHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188222157 510656362 /nfs/dbraw/zinc/65/63/62/510656362.db2.gz MVIBVMGWEYOWEH-NSHDSACASA-N -1 3 363.867 2.503 20 5 FFBDHM COc1cc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000270126561 510685835 /nfs/dbraw/zinc/68/58/35/510685835.db2.gz PAIZAILWGXYXKP-SSINHNECSA-N -1 3 364.423 2.897 20 5 FFBDHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)[C@H]1C[C@@H]1C ZINC000294166123 510977397 /nfs/dbraw/zinc/97/73/97/510977397.db2.gz NIRFLFOCKKSCPD-BONVTDFDSA-N -1 3 370.365 2.709 20 5 FFBDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000364939408 511165617 /nfs/dbraw/zinc/16/56/17/511165617.db2.gz IEIGWWJFOKXUKN-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000364939408 511165619 /nfs/dbraw/zinc/16/56/19/511165619.db2.gz IEIGWWJFOKXUKN-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM CCOC(=O)c1ncc([N-]C(=O)c2c(OCC)cccc2[N+](=O)[O-])s1 ZINC000280048741 511316249 /nfs/dbraw/zinc/31/62/49/511316249.db2.gz LZKAXRFXAQSZPG-UHFFFAOYSA-N -1 3 365.367 2.879 20 5 FFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ncc[nH]1 ZINC000296112916 511623953 /nfs/dbraw/zinc/62/39/53/511623953.db2.gz RKNCILSEAQHLCP-LBPRGKRZSA-N -1 3 358.807 2.647 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280847547 511627023 /nfs/dbraw/zinc/62/70/23/511627023.db2.gz AAONBYFJEAIYBR-CJNGLKHVSA-N -1 3 355.394 2.551 20 5 FFBDHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439531200 513134579 /nfs/dbraw/zinc/13/45/79/513134579.db2.gz IWPSLARWTPVJCN-UHFFFAOYSA-N -1 3 358.335 2.777 20 5 FFBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425013932 513369787 /nfs/dbraw/zinc/36/97/87/513369787.db2.gz RMAZXQOUXPEFPH-HNAYVOBHSA-N -1 3 367.405 2.647 20 5 FFBDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447015372 513383992 /nfs/dbraw/zinc/38/39/92/513383992.db2.gz GFOGCAMGEFTPCY-QMMMGPOBSA-N -1 3 363.233 2.682 20 5 FFBDHM CC(=O)c1cnccc1[N-]C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448395459 513750006 /nfs/dbraw/zinc/75/00/06/513750006.db2.gz CJYJPULHVVKYIS-UHFFFAOYSA-N -1 3 353.256 2.885 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@]1(C)CCCC[C@@H]1C ZINC000416514947 513812986 /nfs/dbraw/zinc/81/29/86/513812986.db2.gz JTHNWMGKOBTCAR-ZBEGNZNMSA-N -1 3 370.427 2.629 20 5 FFBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])CC(F)(F)F ZINC000416589703 513851342 /nfs/dbraw/zinc/85/13/42/513851342.db2.gz GGDFBUSRWFJDML-VIFPVBQESA-N -1 3 370.349 2.860 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000416632954 513877090 /nfs/dbraw/zinc/87/70/90/513877090.db2.gz OFKPAIBQWMZVOY-UHFFFAOYSA-N -1 3 369.830 2.899 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c1[N+](=O)[O-] ZINC000451674011 513903021 /nfs/dbraw/zinc/90/30/21/513903021.db2.gz WTISGSUEUVNHMT-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436638825 513925411 /nfs/dbraw/zinc/92/54/11/513925411.db2.gz LOKKMGFKSBDXBY-YOEHRIQHSA-N -1 3 369.421 2.941 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436768363 513972062 /nfs/dbraw/zinc/97/20/62/513972062.db2.gz JZUIIQPLCWOABK-JTQLQIEISA-N -1 3 354.322 2.841 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])cc3)no2)ccc1-n1cncn1 ZINC000436779181 513975821 /nfs/dbraw/zinc/97/58/21/513975821.db2.gz VRUACVXUYFMPNI-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436935926 514042099 /nfs/dbraw/zinc/04/20/99/514042099.db2.gz FARJLMJWYITNLU-GUYCJALGSA-N -1 3 355.394 2.551 20 5 FFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc2c1OCCCO2 ZINC000426807021 514046279 /nfs/dbraw/zinc/04/62/79/514046279.db2.gz LWGZBMPUFQLMRS-HNNXBMFYSA-N -1 3 372.377 2.542 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3OC)[n-]c21 ZINC000427402974 514206509 /nfs/dbraw/zinc/20/65/09/514206509.db2.gz GKSPNXUURYDPQZ-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3OC)nc21 ZINC000427402974 514206516 /nfs/dbraw/zinc/20/65/16/514206516.db2.gz GKSPNXUURYDPQZ-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(F)c(F)cc3s2)n1 ZINC000427452554 514221943 /nfs/dbraw/zinc/22/19/43/514221943.db2.gz KGUUZUITRWMCGF-UHFFFAOYSA-N -1 3 353.310 2.951 20 5 FFBDHM O=C(Cc1ccc([O-])cc1Cl)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444633745 514278620 /nfs/dbraw/zinc/27/86/20/514278620.db2.gz VSJLDKSZTLCPIA-UHFFFAOYSA-N -1 3 360.757 2.689 20 5 FFBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000433505319 514506213 /nfs/dbraw/zinc/50/62/13/514506213.db2.gz GQVSIKUBVCQHFI-UHFFFAOYSA-N -1 3 364.423 2.823 20 5 FFBDHM O=C(Nc1cccc(Oc2cnccn2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484255241 514604837 /nfs/dbraw/zinc/60/48/37/514604837.db2.gz JORAFHYGHGKQGI-UHFFFAOYSA-N -1 3 353.294 2.530 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000479773993 514717916 /nfs/dbraw/zinc/71/79/16/514717916.db2.gz LMVMQJPNCXSWMP-UHFFFAOYSA-N -1 3 372.381 2.550 20 5 FFBDHM Cc1cc(F)c(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])cc1F ZINC000475751876 514794875 /nfs/dbraw/zinc/79/48/75/514794875.db2.gz UWQDGHXHPKCYIU-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000480021679 514813737 /nfs/dbraw/zinc/81/37/37/514813737.db2.gz PIZJYBCXZDJTPU-AWEZNQCLSA-N -1 3 368.411 2.861 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000467076630 514889065 /nfs/dbraw/zinc/88/90/65/514889065.db2.gz WYEODLNETKXYRS-SNVBAGLBSA-N -1 3 358.372 2.516 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000462325085 514996191 /nfs/dbraw/zinc/99/61/91/514996191.db2.gz GXFVALDMQFANRM-KGLIPLIRSA-N -1 3 374.846 2.874 20 5 FFBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467407787 514999021 /nfs/dbraw/zinc/99/90/21/514999021.db2.gz YBWRUNTXZBEZQV-GFCCVEGCSA-N -1 3 361.489 2.508 20 5 FFBDHM COc1c(F)cc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(OC)c1F ZINC000456237649 515044083 /nfs/dbraw/zinc/04/40/83/515044083.db2.gz BHIDOMMMWJQALY-UHFFFAOYSA-N -1 3 370.312 2.989 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc2c1CCCN2 ZINC000489962940 515049235 /nfs/dbraw/zinc/04/92/35/515049235.db2.gz DKQWBLQPECUXCM-UHFFFAOYSA-N -1 3 361.423 2.740 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC000462507607 515093644 /nfs/dbraw/zinc/09/36/44/515093644.db2.gz ZRQWZZIRAPJWOX-KGLIPLIRSA-N -1 3 354.428 2.851 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000503615604 515097962 /nfs/dbraw/zinc/09/79/62/515097962.db2.gz YXMFLAHOGQPPEA-UHFFFAOYSA-N -1 3 374.422 2.791 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)cc1C ZINC000490114821 515110889 /nfs/dbraw/zinc/11/08/89/515110889.db2.gz QVSVXQBZZYMNQJ-MRXNPFEDSA-N -1 3 370.471 2.677 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000480859378 515112774 /nfs/dbraw/zinc/11/27/74/515112774.db2.gz WUUATYWHZMOKQS-CYBMUJFWSA-N -1 3 372.418 2.894 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000480862158 515114270 /nfs/dbraw/zinc/11/42/70/515114270.db2.gz BYKARYVUZOXCMO-INIZCTEOSA-N -1 3 356.444 2.513 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccccc2F)c1C ZINC000480964688 515155140 /nfs/dbraw/zinc/15/51/40/515155140.db2.gz UKNPGAPOFGEZSJ-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM COc1cccc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000481037810 515181892 /nfs/dbraw/zinc/18/18/92/515181892.db2.gz NDMMKIPRQRGOCU-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C12CCCC2 ZINC000462677875 515184651 /nfs/dbraw/zinc/18/46/51/515184651.db2.gz MCPUQUDOUFOZOV-CVEARBPZSA-N -1 3 368.455 2.919 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000462696029 515193512 /nfs/dbraw/zinc/19/35/12/515193512.db2.gz DUAZKDIOTQFZDC-RWMBFGLXSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000462714645 515210470 /nfs/dbraw/zinc/21/04/70/515210470.db2.gz IJYQVCDENIGBKS-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000509528825 515219099 /nfs/dbraw/zinc/21/90/99/515219099.db2.gz WRYIDYWJJITDNA-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000472330789 515229673 /nfs/dbraw/zinc/22/96/73/515229673.db2.gz WQFIGNQEOFUGCI-UHFFFAOYSA-N -1 3 370.427 2.615 20 5 FFBDHM CN1CC[C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1ccccc1 ZINC000485990448 515287308 /nfs/dbraw/zinc/28/73/08/515287308.db2.gz NYSZWLQNCNURJC-IAGOWNOFSA-N -1 3 365.393 2.924 20 5 FFBDHM COc1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1C ZINC000509777004 515320905 /nfs/dbraw/zinc/32/09/05/515320905.db2.gz KZRZUCGKWOYPNS-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000491337309 515415319 /nfs/dbraw/zinc/41/53/19/515415319.db2.gz ZBGYYENOYHPRTL-OPQQBVKSSA-N -1 3 360.407 2.846 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000491602611 515459966 /nfs/dbraw/zinc/45/99/66/515459966.db2.gz VZDDPONELJNOPS-JTQLQIEISA-N -1 3 360.407 2.990 20 5 FFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000481860605 515493038 /nfs/dbraw/zinc/49/30/38/515493038.db2.gz BGSLGQVOAKADEV-UHFFFAOYSA-N -1 3 364.774 2.753 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)CC(C)C ZINC000468960963 515601803 /nfs/dbraw/zinc/60/18/03/515601803.db2.gz JGASWYYNDZYOQV-UHFFFAOYSA-N -1 3 372.443 2.732 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccncc2F)cc1C ZINC000510642229 515620548 /nfs/dbraw/zinc/62/05/48/515620548.db2.gz AILYCGKKWUKWHE-LLVKDONJSA-N -1 3 353.375 2.785 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000486829355 515652847 /nfs/dbraw/zinc/65/28/47/515652847.db2.gz WSQVJRYQHMCMEN-BZBKMWRSSA-N -1 3 350.318 2.690 20 5 FFBDHM O=C(NCc1ncccc1[O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000473642124 515701358 /nfs/dbraw/zinc/70/13/58/515701358.db2.gz OZELDTCMDSKSME-UHFFFAOYSA-N -1 3 356.363 2.749 20 5 FFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1csc([N+](=O)[O-])c1 ZINC000511392006 515888014 /nfs/dbraw/zinc/88/80/14/515888014.db2.gz ROBXSGFXHKYTLT-UHFFFAOYSA-N -1 3 367.184 2.741 20 5 FFBDHM CO[C@](C)(C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1 ZINC000483129363 515942436 /nfs/dbraw/zinc/94/24/36/515942436.db2.gz SDEHFGKZWNAOFO-IBGZPJMESA-N -1 3 366.377 2.907 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1[N+](=O)[O-] ZINC000487715842 515952153 /nfs/dbraw/zinc/95/21/53/515952153.db2.gz DKJXTPVZILKBGN-JTQLQIEISA-N -1 3 368.349 2.670 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCO[C@@H]1CC(C)C ZINC000478786003 515962992 /nfs/dbraw/zinc/96/29/92/515962992.db2.gz YQIBHKYSTMWXTM-DZGCQCFKSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)cc1C ZINC000501480710 516116595 /nfs/dbraw/zinc/11/65/95/516116595.db2.gz QMRGVFVOSFFXLU-ZYHUDNBSSA-N -1 3 364.370 2.650 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3c(F)cccc3F)cs2)n1 ZINC000495285167 516128056 /nfs/dbraw/zinc/12/80/56/516128056.db2.gz KLCOLDKXEZTECR-UHFFFAOYSA-N -1 3 365.321 2.982 20 5 FFBDHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000479346330 516158437 /nfs/dbraw/zinc/15/84/37/516158437.db2.gz PXWRGGIXBRZUAA-IINYFYTJSA-N -1 3 360.407 2.606 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000460893499 516277880 /nfs/dbraw/zinc/27/78/80/516277880.db2.gz HTQMKBWHGRGAAD-SNVBAGLBSA-N -1 3 355.441 2.962 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000512702398 516330249 /nfs/dbraw/zinc/33/02/49/516330249.db2.gz FKNGVYHPDQXDBD-CZUORRHYSA-N -1 3 355.394 2.866 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@H]1C ZINC000531213724 516351984 /nfs/dbraw/zinc/35/19/84/516351984.db2.gz KVXJGMOTQVQWRI-BWACUDIHSA-N -1 3 362.407 2.826 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000543674451 516359153 /nfs/dbraw/zinc/35/91/53/516359153.db2.gz UGRVDUPDKLJFDS-UHFFFAOYSA-N -1 3 367.427 2.803 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)c(F)c1 ZINC000531444940 516470107 /nfs/dbraw/zinc/47/01/07/516470107.db2.gz PCTMZYUAZFZKGX-UHFFFAOYSA-N -1 3 354.334 2.841 20 5 FFBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000531480331 516488760 /nfs/dbraw/zinc/48/87/60/516488760.db2.gz KLQXAHXVKLBMQY-ZDUSSCGKSA-N -1 3 368.386 2.870 20 5 FFBDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000524021333 516628449 /nfs/dbraw/zinc/62/84/49/516628449.db2.gz VGVDMXDADOLJCG-NHYWBVRUSA-N -1 3 374.434 2.854 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c(Cl)c1 ZINC000561560482 516653603 /nfs/dbraw/zinc/65/36/03/516653603.db2.gz FBPPECXVIOQZPA-SECBINFHSA-N -1 3 350.849 2.670 20 5 FFBDHM COC(=O)c1ccc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)[n-]1 ZINC000513736700 516734897 /nfs/dbraw/zinc/73/48/97/516734897.db2.gz JENUAZROZYUIDB-UHFFFAOYSA-N -1 3 368.143 2.724 20 5 FFBDHM COc1ccc([N-]C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000514484460 516931704 /nfs/dbraw/zinc/93/17/04/516931704.db2.gz DTFRPQOKOIEFMO-UHFFFAOYSA-N -1 3 371.328 2.884 20 5 FFBDHM O=c1[n-]cnc2c1CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)C2 ZINC000555476894 516939388 /nfs/dbraw/zinc/93/93/88/516939388.db2.gz WMURARRBOGJSCC-UHFFFAOYSA-N -1 3 367.340 2.854 20 5 FFBDHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1c[nH]nc1[N+](=O)[O-] ZINC000548943541 517317977 /nfs/dbraw/zinc/31/79/77/517317977.db2.gz NRGDLRARRGMWHD-UHFFFAOYSA-N -1 3 367.152 2.689 20 5 FFBDHM CCCCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)n1 ZINC000539115438 517920728 /nfs/dbraw/zinc/92/07/28/517920728.db2.gz DSNBTYVKUKYZOL-UHFFFAOYSA-N -1 3 370.406 2.517 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000553881941 517949666 /nfs/dbraw/zinc/94/96/66/517949666.db2.gz RFKUDLFYVRNODC-JTQLQIEISA-N -1 3 355.803 2.991 20 5 FFBDHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000569791259 518292566 /nfs/dbraw/zinc/29/25/66/518292566.db2.gz HLIXYOULAQHFFN-JTQLQIEISA-N -1 3 370.374 2.786 20 5 FFBDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575942427 518353975 /nfs/dbraw/zinc/35/39/75/518353975.db2.gz DYKNIAZPOXUEGZ-PSLIRLAXSA-N -1 3 352.343 2.534 20 5 FFBDHM CN1CCC[C@@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000578990840 518469791 /nfs/dbraw/zinc/46/97/91/518469791.db2.gz CNQDGHPHVKWHIV-MRXNPFEDSA-N -1 3 353.806 2.512 20 5 FFBDHM CC(C)(C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000579245131 518591335 /nfs/dbraw/zinc/59/13/35/518591335.db2.gz IHVQTIOYPHSBPJ-UHFFFAOYSA-N -1 3 361.320 2.599 20 5 FFBDHM C[C@@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000576473980 518610727 /nfs/dbraw/zinc/61/07/27/518610727.db2.gz KVEJEZADGMNYDI-LJQANCHMSA-N -1 3 355.394 2.695 20 5 FFBDHM O=[N+]([O-])c1ccc2[nH]cc(Cc3nc(-c4ccc5n[n-]nc5c4)no3)c2c1 ZINC000571710363 519234041 /nfs/dbraw/zinc/23/40/41/519234041.db2.gz XGMBMLCJYMPGMG-UHFFFAOYSA-N -1 3 361.321 2.988 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nn(C)c3ccccc23)c1[N+](=O)[O-] ZINC000616430869 520013916 /nfs/dbraw/zinc/01/39/16/520013916.db2.gz SWSOFAMEMKVQCD-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM O=c1c2c([n-]n1-c1cccc([N+](=O)[O-])c1)CCN(Cc1ccccc1)C2 ZINC000594661429 520072572 /nfs/dbraw/zinc/07/25/72/520072572.db2.gz YWYQTAZEZPXFPU-KRWDZBQOSA-N -1 3 350.378 2.820 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(OC2CC2)c1F ZINC000594839527 520182739 /nfs/dbraw/zinc/18/27/39/520182739.db2.gz FQXLQKIZHAUJDO-UHFFFAOYSA-N -1 3 366.370 2.754 20 5 FFBDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1(F)F ZINC000594856519 520192404 /nfs/dbraw/zinc/19/24/04/520192404.db2.gz GUVVPVSBDIECOI-AWEZNQCLSA-N -1 3 371.365 2.857 20 5 FFBDHM COc1ccc(CC(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1[N+](=O)[O-] ZINC000609477089 520325132 /nfs/dbraw/zinc/32/51/32/520325132.db2.gz KZJADPZIRXCOHQ-UHFFFAOYSA-N -1 3 371.328 2.709 20 5 FFBDHM O=c1[n-]ccc(NC[C@H]2CSCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596209487 520972557 /nfs/dbraw/zinc/97/25/57/520972557.db2.gz FTPPQHSNKYVEQU-AWEZNQCLSA-N -1 3 360.439 2.725 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)nc1 ZINC000593548586 521067222 /nfs/dbraw/zinc/06/72/22/521067222.db2.gz PIOXVZYQQFIFAM-GOEBONIOSA-N -1 3 361.423 2.680 20 5 FFBDHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593568139 521081062 /nfs/dbraw/zinc/08/10/62/521081062.db2.gz UCZHXWRLYCXFNF-LBPRGKRZSA-N -1 3 367.452 2.839 20 5 FFBDHM COC(=O)C(C)(C)n1cc([N-]c2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC000596518203 521112264 /nfs/dbraw/zinc/11/22/64/521112264.db2.gz IBUMODBGYPTWKT-UHFFFAOYSA-N -1 3 359.386 2.717 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000593748191 521191208 /nfs/dbraw/zinc/19/12/08/521191208.db2.gz IXJHEVOPKUYKMZ-IBGZPJMESA-N -1 3 356.378 2.832 20 5 FFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611514823 521195419 /nfs/dbraw/zinc/19/54/19/521195419.db2.gz IFOXOIXVPPPGAJ-UHFFFAOYSA-N -1 3 371.321 2.917 20 5 FFBDHM CCOC(=O)c1nnc([N-]C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000615203269 521313715 /nfs/dbraw/zinc/31/37/15/521313715.db2.gz TUKHRZISTBJVKJ-UHFFFAOYSA-N -1 3 364.383 2.999 20 5 FFBDHM COc1ccc([N-]C(=O)c2nnn(C3CC3)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000611777681 521327375 /nfs/dbraw/zinc/32/73/75/521327375.db2.gz VSQGQEBBKHRMHT-UHFFFAOYSA-N -1 3 371.275 2.801 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000619486698 521593589 /nfs/dbraw/zinc/59/35/89/521593589.db2.gz QIRLRUISLZPDEW-UONOGXRCSA-N -1 3 362.407 2.513 20 5 FFBDHM Cn1[n-]c(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1OC(F)F ZINC000490945322 561440877 /nfs/dbraw/zinc/44/08/77/561440877.db2.gz ZOFYPOKWRBVOBB-UHFFFAOYSA-N -1 3 360.704 2.764 20 5 FFBDHM CCOC(=O)c1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc([N+](=O)[O-])c1 ZINC000473850885 561059079 /nfs/dbraw/zinc/05/90/79/561059079.db2.gz PLKFDQDUEVVJBW-AWEZNQCLSA-N -1 3 374.353 2.598 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000738358658 598857070 /nfs/dbraw/zinc/85/70/70/598857070.db2.gz NYEBXRXSSRQSAP-AWEZNQCLSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000738358658 598857072 /nfs/dbraw/zinc/85/70/72/598857072.db2.gz NYEBXRXSSRQSAP-AWEZNQCLSA-N -1 3 368.353 2.686 20 5 FFBDHM CCO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000821362339 599101208 /nfs/dbraw/zinc/10/12/08/599101208.db2.gz ZWOUPPYNTBPWIM-GJZGRUSLSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000821362339 599101210 /nfs/dbraw/zinc/10/12/10/599101210.db2.gz ZWOUPPYNTBPWIM-GJZGRUSLSA-N -1 3 358.402 2.925 20 5 FFBDHM CC(C)C(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000820012178 599182504 /nfs/dbraw/zinc/18/25/04/599182504.db2.gz VQBVBVALSSFJPP-UHFFFAOYSA-N -1 3 368.357 2.508 20 5 FFBDHM CC(C)C(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000820012178 599182505 /nfs/dbraw/zinc/18/25/05/599182505.db2.gz VQBVBVALSSFJPP-UHFFFAOYSA-N -1 3 368.357 2.508 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCc2ccccc2C1 ZINC000738357564 599232181 /nfs/dbraw/zinc/23/21/81/599232181.db2.gz FNMCGEQWRILGLU-GFCCVEGCSA-N -1 3 350.382 2.992 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCc2ccccc2C1 ZINC000738357564 599232184 /nfs/dbraw/zinc/23/21/84/599232184.db2.gz FNMCGEQWRILGLU-GFCCVEGCSA-N -1 3 350.382 2.992 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccco3)cc(-c3nnn[n-]3)c2c1 ZINC000738367296 599258100 /nfs/dbraw/zinc/25/81/00/599258100.db2.gz PTYXFDNVQZZOQE-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccco3)cc(-c3nn[n-]n3)c2c1 ZINC000738367296 599258103 /nfs/dbraw/zinc/25/81/03/599258103.db2.gz PTYXFDNVQZZOQE-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737854135 598779749 /nfs/dbraw/zinc/77/97/49/598779749.db2.gz RRONWOHRRYHCQM-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737854135 598779750 /nfs/dbraw/zinc/77/97/50/598779750.db2.gz RRONWOHRRYHCQM-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM COc1cccc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737129968 598795791 /nfs/dbraw/zinc/79/57/91/598795791.db2.gz OLKKWWKNUHHEOQ-NSHDSACASA-N -1 3 354.370 2.827 20 5 FFBDHM COc1cccc(C[C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737129968 598795792 /nfs/dbraw/zinc/79/57/92/598795792.db2.gz OLKKWWKNUHHEOQ-NSHDSACASA-N -1 3 354.370 2.827 20 5 FFBDHM CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736739360 599307395 /nfs/dbraw/zinc/30/73/95/599307395.db2.gz MDBSKQPFHIXZLY-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736739360 599307398 /nfs/dbraw/zinc/30/73/98/599307398.db2.gz MDBSKQPFHIXZLY-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM CCC1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820989252 599487195 /nfs/dbraw/zinc/48/71/95/599487195.db2.gz PEBJUXIQSCHDSW-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM CCC1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820989252 599487198 /nfs/dbraw/zinc/48/71/98/599487198.db2.gz PEBJUXIQSCHDSW-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322163 599499003 /nfs/dbraw/zinc/49/90/03/599499003.db2.gz RLXXRSOTUDDWLS-OFFHKIPUSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322163 599499006 /nfs/dbraw/zinc/49/90/06/599499006.db2.gz RLXXRSOTUDDWLS-OFFHKIPUSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397079 599634176 /nfs/dbraw/zinc/63/41/76/599634176.db2.gz LQGVJXLUCBZCNI-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397079 599634177 /nfs/dbraw/zinc/63/41/77/599634177.db2.gz LQGVJXLUCBZCNI-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM Cc1cc(C)c(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])c1 ZINC000826263981 607430781 /nfs/dbraw/zinc/43/07/81/607430781.db2.gz YAXDKKDLQIHKNS-UHFFFAOYSA-N -1 3 353.338 2.919 20 5 FFBDHM Cc1cc(C)c(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])c1 ZINC000826263981 607430783 /nfs/dbraw/zinc/43/07/83/607430783.db2.gz YAXDKKDLQIHKNS-UHFFFAOYSA-N -1 3 353.338 2.919 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826250094 607432358 /nfs/dbraw/zinc/43/23/58/607432358.db2.gz KSLSEKKGAUGFEF-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826250094 607432360 /nfs/dbraw/zinc/43/23/60/607432360.db2.gz KSLSEKKGAUGFEF-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(CC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826236183 607443344 /nfs/dbraw/zinc/44/33/44/607443344.db2.gz AVYODOHAFHSEIA-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1c(CC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236183 607443345 /nfs/dbraw/zinc/44/33/45/607443345.db2.gz AVYODOHAFHSEIA-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000826253734 607444941 /nfs/dbraw/zinc/44/49/41/607444941.db2.gz AUNNBMKLCXEUII-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000826253734 607444943 /nfs/dbraw/zinc/44/49/43/607444943.db2.gz AUNNBMKLCXEUII-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826471966 607594773 /nfs/dbraw/zinc/59/47/73/607594773.db2.gz SNGWFOZRFCRHJP-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826471966 607594775 /nfs/dbraw/zinc/59/47/75/607594775.db2.gz SNGWFOZRFCRHJP-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826246653 607666891 /nfs/dbraw/zinc/66/68/91/607666891.db2.gz IOGCELFXOVJCHS-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826246653 607666894 /nfs/dbraw/zinc/66/68/94/607666894.db2.gz IOGCELFXOVJCHS-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(N(CCC(F)(F)F)CC2CC2)c(-c2nnn[n-]2)c1 ZINC000823639821 606594129 /nfs/dbraw/zinc/59/41/29/606594129.db2.gz HWGCNCBKNJRKPA-UHFFFAOYSA-N -1 3 356.308 2.944 20 5 FFBDHM O=[N+]([O-])c1ccc(N(CCC(F)(F)F)CC2CC2)c(-c2nn[n-]n2)c1 ZINC000823639821 606594130 /nfs/dbraw/zinc/59/41/30/606594130.db2.gz HWGCNCBKNJRKPA-UHFFFAOYSA-N -1 3 356.308 2.944 20 5 FFBDHM CC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCOCC1 ZINC000820623217 606611017 /nfs/dbraw/zinc/61/10/17/606611017.db2.gz IJQDZQFZVDDKEV-UHFFFAOYSA-N -1 3 369.385 2.552 20 5 FFBDHM CC1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCOCC1 ZINC000820623217 606611019 /nfs/dbraw/zinc/61/10/19/606611019.db2.gz IJQDZQFZVDDKEV-UHFFFAOYSA-N -1 3 369.385 2.552 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823630312 606728616 /nfs/dbraw/zinc/72/86/16/606728616.db2.gz WSKNHRQIYHRSPD-ZDUSSCGKSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2ccc(F)cc2)C1 ZINC000823630312 606728617 /nfs/dbraw/zinc/72/86/17/606728617.db2.gz WSKNHRQIYHRSPD-ZDUSSCGKSA-N -1 3 354.345 2.908 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000822184466 606997111 /nfs/dbraw/zinc/99/71/11/606997111.db2.gz VDBZRZNRVVCFJD-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000822184466 606997113 /nfs/dbraw/zinc/99/71/13/606997113.db2.gz VDBZRZNRVVCFJD-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c(F)cc(F)cc2C1 ZINC000823630478 607040831 /nfs/dbraw/zinc/04/08/31/607040831.db2.gz XSMZVBFXFBNJNF-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c(F)cc(F)cc2C1 ZINC000823630478 607040832 /nfs/dbraw/zinc/04/08/32/607040832.db2.gz XSMZVBFXFBNJNF-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1cccnc1Oc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823648623 607046307 /nfs/dbraw/zinc/04/63/07/607046307.db2.gz ZHVJEQNSJIOUKM-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1cccnc1Oc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823648623 607046309 /nfs/dbraw/zinc/04/63/09/607046309.db2.gz ZHVJEQNSJIOUKM-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824655392 607902719 /nfs/dbraw/zinc/90/27/19/607902719.db2.gz CLXNYEAJRMZTJZ-RSNKEIGGSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824655392 607902720 /nfs/dbraw/zinc/90/27/20/607902720.db2.gz CLXNYEAJRMZTJZ-RSNKEIGGSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc([S@@](C)=O)cc1 ZINC000824655390 607902770 /nfs/dbraw/zinc/90/27/70/607902770.db2.gz CLXNYEAJRMZTJZ-AFNXNYLOSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc([S@@](C)=O)cc1 ZINC000824655390 607902771 /nfs/dbraw/zinc/90/27/71/607902771.db2.gz CLXNYEAJRMZTJZ-AFNXNYLOSA-N -1 3 372.410 2.685 20 5 FFBDHM O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473087 607964445 /nfs/dbraw/zinc/96/44/45/607964445.db2.gz KAHWLYWUCHVPQK-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473087 607964446 /nfs/dbraw/zinc/96/44/46/607964446.db2.gz KAHWLYWUCHVPQK-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826468264 608160626 /nfs/dbraw/zinc/16/06/26/608160626.db2.gz JHMZQFVSNLVCKK-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826468264 608160627 /nfs/dbraw/zinc/16/06/27/608160627.db2.gz JHMZQFVSNLVCKK-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826212444 608182568 /nfs/dbraw/zinc/18/25/68/608182568.db2.gz QTPQTBWMGNXSCS-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826212444 608182570 /nfs/dbraw/zinc/18/25/70/608182570.db2.gz QTPQTBWMGNXSCS-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM Cc1c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cccc1[N+](=O)[O-] ZINC000826234586 608436944 /nfs/dbraw/zinc/43/69/44/608436944.db2.gz DLPOJSJCOIMLSY-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cccc1[N+](=O)[O-] ZINC000826234586 608436945 /nfs/dbraw/zinc/43/69/45/608436945.db2.gz DLPOJSJCOIMLSY-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1nnc(SCc2c(F)cccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826337466 609309272 /nfs/dbraw/zinc/30/92/72/609309272.db2.gz PLARHQQKKHFLLD-UHFFFAOYSA-N -1 3 361.362 2.613 20 5 FFBDHM Cc1nnc(SCc2c(F)cccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826337466 609309274 /nfs/dbraw/zinc/30/92/74/609309274.db2.gz PLARHQQKKHFLLD-UHFFFAOYSA-N -1 3 361.362 2.613 20 5 FFBDHM Cn1cc(C=Cc2ccc([N+](=O)[O-])cn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359668 609309625 /nfs/dbraw/zinc/30/96/25/609309625.db2.gz NMTCODZZPCMKNQ-SREVYHEPSA-N -1 3 374.364 2.741 20 5 FFBDHM Cn1cc(C=Cc2ccc([N+](=O)[O-])cn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359668 609309626 /nfs/dbraw/zinc/30/96/26/609309626.db2.gz NMTCODZZPCMKNQ-SREVYHEPSA-N -1 3 374.364 2.741 20 5 FFBDHM Cc1c(Cl)cnc(NCCNc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826240171 609524957 /nfs/dbraw/zinc/52/49/57/609524957.db2.gz HAYYQPKXSHFZKL-UHFFFAOYSA-N -1 3 374.792 2.656 20 5 FFBDHM Cc1c(Cl)cnc(NCCNc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826240171 609524960 /nfs/dbraw/zinc/52/49/60/609524960.db2.gz HAYYQPKXSHFZKL-UHFFFAOYSA-N -1 3 374.792 2.656 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1 ZINC000121402784 728626230 /nfs/dbraw/zinc/62/62/30/728626230.db2.gz NYFBGSSVOFIWMT-UHFFFAOYSA-N -1 3 358.173 2.553 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1nccs1 ZINC000132391058 728724423 /nfs/dbraw/zinc/72/44/23/728724423.db2.gz IMHDWGXXVVXRAV-SNVBAGLBSA-N -1 3 359.404 2.928 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000192727115 729457536 /nfs/dbraw/zinc/45/75/36/729457536.db2.gz NNSIQRANFFBCCB-UHFFFAOYSA-N -1 3 355.303 2.751 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000726917727 734453807 /nfs/dbraw/zinc/45/38/07/734453807.db2.gz ZJGHDKRWYBFBDQ-UHFFFAOYSA-N -1 3 350.218 2.803 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1csc([N+](=O)[O-])c1 ZINC000728609029 734533884 /nfs/dbraw/zinc/53/38/84/734533884.db2.gz ZKDJYXWVHDFEBQ-UHFFFAOYSA-N -1 3 360.311 2.602 20 5 FFBDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742296284 735221677 /nfs/dbraw/zinc/22/16/77/735221677.db2.gz WFBOTKIKEXGJQN-MRVPVSSYSA-N -1 3 363.233 2.682 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCCC2CC2)c1 ZINC000742300016 735222103 /nfs/dbraw/zinc/22/21/03/735222103.db2.gz ZWWMXBYHTQAVHJ-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000757348469 736402135 /nfs/dbraw/zinc/40/21/35/736402135.db2.gz MMMRCFQZJRFGMN-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000759158604 736551870 /nfs/dbraw/zinc/55/18/70/736551870.db2.gz MRVLAWNXAPOHKI-UHFFFAOYSA-N -1 3 357.775 2.766 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C2CCOCC2)c([N+](=O)[O-])s1 ZINC000907457820 736630725 /nfs/dbraw/zinc/63/07/25/736630725.db2.gz NVDBWVNCRCCLDI-UHFFFAOYSA-N -1 3 362.473 2.696 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c1C ZINC000765166914 737089639 /nfs/dbraw/zinc/08/96/39/737089639.db2.gz MMOPBSHXWSOGIY-VIFPVBQESA-N -1 3 353.227 2.684 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c1C ZINC000765166910 737089867 /nfs/dbraw/zinc/08/98/67/737089867.db2.gz MMOPBSHXWSOGIY-SECBINFHSA-N -1 3 353.227 2.684 20 5 FFBDHM CC(C)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000815071854 741895173 /nfs/dbraw/zinc/89/51/73/741895173.db2.gz XKLJHDRYZVPIDN-UHFFFAOYSA-N -1 3 363.233 2.824 20 5 FFBDHM O=C([N-][C@H](CO)c1ccc(F)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778422524 738381996 /nfs/dbraw/zinc/38/19/96/738381996.db2.gz MSYKAEJCWYRJFQ-CQSZACIVSA-N -1 3 354.284 2.676 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000800051935 740478637 /nfs/dbraw/zinc/47/86/37/740478637.db2.gz ADQKAMHINYRSQR-UHFFFAOYSA-N -1 3 354.315 2.572 20 5 FFBDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ccc1C ZINC000800929444 740567725 /nfs/dbraw/zinc/56/77/25/740567725.db2.gz GIJVYXCOLUHZKD-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000801927045 740664477 /nfs/dbraw/zinc/66/44/77/740664477.db2.gz HEXUSFOWNABJPU-UHFFFAOYSA-N -1 3 365.268 2.525 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cnc(Cl)s1 ZINC000809848801 741354421 /nfs/dbraw/zinc/35/44/21/741354421.db2.gz UYYRKRBUAVLZDP-UHFFFAOYSA-N -1 3 368.223 2.837 20 5 FFBDHM O=C(Nc1nc2ccc(Cl)nc2s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000816430893 742029240 /nfs/dbraw/zinc/02/92/40/742029240.db2.gz LEKZFPDRADLUHY-UHFFFAOYSA-N -1 3 351.731 2.606 20 5 FFBDHM CN(C)CC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000841530296 747386457 /nfs/dbraw/zinc/38/64/57/747386457.db2.gz SGRCSWNYZCWGDJ-UHFFFAOYSA-N -1 3 370.258 2.520 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@]1(C)C[C@@]1(F)Cl ZINC000845984280 748373879 /nfs/dbraw/zinc/37/38/79/748373879.db2.gz WIETUMBQWAVFCM-OLZOCXBDSA-N -1 3 350.799 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CC2(Cl)Cl)c(F)c1 ZINC000846022906 748386203 /nfs/dbraw/zinc/38/62/03/748386203.db2.gz VDMDZYPMKNZTLO-QMMMGPOBSA-N -1 3 371.217 2.986 20 5 FFBDHM CC(C)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])ONC(=O)OC(C)(C)C ZINC000853694986 750137457 /nfs/dbraw/zinc/13/74/57/750137457.db2.gz XGTOPDICTYVWCF-NSHDSACASA-N -1 3 356.379 2.588 20 5 FFBDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783953006 945270947 /nfs/dbraw/zinc/27/09/47/945270947.db2.gz SYAFOYVVBMBESO-ZHACJKMWSA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000783953006 945270961 /nfs/dbraw/zinc/27/09/61/945270961.db2.gz SYAFOYVVBMBESO-ZHACJKMWSA-N -1 3 350.338 2.817 20 5 FFBDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736193681 944757472 /nfs/dbraw/zinc/75/74/72/944757472.db2.gz RNBQKSTZYHRFLK-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736193681 944757479 /nfs/dbraw/zinc/75/74/79/944757479.db2.gz RNBQKSTZYHRFLK-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H]1COc2ccccc2CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825012188 947043781 /nfs/dbraw/zinc/04/37/81/947043781.db2.gz DVVFFTGDHQSTCH-NSHDSACASA-N -1 3 352.354 2.562 20 5 FFBDHM C[C@H]1COc2ccccc2CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825012188 947043791 /nfs/dbraw/zinc/04/37/91/947043791.db2.gz DVVFFTGDHQSTCH-NSHDSACASA-N -1 3 352.354 2.562 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826293577 947851203 /nfs/dbraw/zinc/85/12/03/947851203.db2.gz UODZCXMQLUSSPH-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826293577 947851213 /nfs/dbraw/zinc/85/12/13/947851213.db2.gz UODZCXMQLUSSPH-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM COc1c([O-])ccc(CN2C[C@H](C)C(=O)N(C)c3ccccc32)c1[N+](=O)[O-] ZINC000894521559 965439010 /nfs/dbraw/zinc/43/90/10/965439010.db2.gz QDDABKZJXRAZIZ-LBPRGKRZSA-N -1 3 371.393 2.928 20 5 FFBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000125547320 974760455 /nfs/dbraw/zinc/76/04/55/974760455.db2.gz OXJLDHWIKGQOHO-UHFFFAOYSA-N -1 3 370.390 2.962 20 5 FFBDHM COc1ccc([N-]C(=O)c2cnn(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 ZINC000151358291 984263134 /nfs/dbraw/zinc/26/31/34/984263134.db2.gz UFFKWOPHOYNBRU-UHFFFAOYSA-N -1 3 357.301 2.576 20 5 FFBDHM CCO[C@@H]1C[C@@](NCc2cc([N+](=O)[O-])ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596839531 985519735 /nfs/dbraw/zinc/51/97/35/985519735.db2.gz UBLGKPUGNYUTKX-CZUORRHYSA-N -1 3 356.806 2.996 20 5 FFBDHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152236138 987092069 /nfs/dbraw/zinc/09/20/69/987092069.db2.gz QVRCMNOJDJVATF-UHFFFAOYSA-N -1 3 364.361 2.636 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c2ccccc2oc1C(N)=O ZINC000170875485 991437629 /nfs/dbraw/zinc/43/76/29/991437629.db2.gz VMHIUPYSCRMCNP-UHFFFAOYSA-N -1 3 355.306 2.701 20 5 FFBDHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001591331644 992304747 /nfs/dbraw/zinc/30/47/47/992304747.db2.gz PHRJZTXVVSRYSB-UHFFFAOYSA-N -1 3 357.794 2.619 20 5 FFBDHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001591331884 992309946 /nfs/dbraw/zinc/30/99/46/992309946.db2.gz ZCVYGQHURANQNA-UHFFFAOYSA-N -1 3 357.794 2.619 20 5 FFBDHM C[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN(Cc2ccccc2)C1 ZINC001144569421 998659865 /nfs/dbraw/zinc/65/98/65/998659865.db2.gz WSNKYTCHWKUMEO-IBGZPJMESA-N -1 3 355.394 2.695 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C12CCC2 ZINC001187082113 1003561536 /nfs/dbraw/zinc/56/15/36/1003561536.db2.gz OSBQGHWOBUBJEI-GJZGRUSLSA-N -1 3 372.418 2.668 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])s1 ZINC001191802280 1003959773 /nfs/dbraw/zinc/95/97/73/1003959773.db2.gz VGHSOSAQLPRAOH-BXUZGUMPSA-N -1 3 370.452 2.674 20 5 FFBDHM CC(=O)c1cccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1[O-] ZINC000808189418 1004770043 /nfs/dbraw/zinc/77/00/43/1004770043.db2.gz QPIZMAPKNKJDMT-MRXNPFEDSA-N -1 3 369.333 2.635 20 5 FFBDHM O=C(N=[S@]1(=O)CCc2ccccc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001133788489 1005960792 /nfs/dbraw/zinc/96/07/92/1005960792.db2.gz LRRPGLZAUWLRJL-VWLOTQADSA-N -1 3 356.363 2.695 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2cccc(F)c2)c([N+](=O)[O-])s1 ZINC001187759587 1006236606 /nfs/dbraw/zinc/23/66/06/1006236606.db2.gz AVSHXLFCGHVBBM-TVQRCGJNSA-N -1 3 374.415 2.504 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(Cc2ccccc2)nn1 ZINC000800147595 1007182269 /nfs/dbraw/zinc/18/22/69/1007182269.db2.gz QXSGERLXNLDNLG-UHFFFAOYSA-N -1 3 355.329 2.934 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1F ZINC001136497485 1008491581 /nfs/dbraw/zinc/49/15/81/1008491581.db2.gz LJMUFIFDOPKMLH-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1F ZINC001136497485 1008491582 /nfs/dbraw/zinc/49/15/82/1008491582.db2.gz LJMUFIFDOPKMLH-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1[N+](=O)[O-] ZINC001179075725 1009248950 /nfs/dbraw/zinc/24/89/50/1009248950.db2.gz IGHBHNZQTSOOEF-UHFFFAOYSA-N -1 3 350.306 2.583 20 5 FFBDHM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1[N+](=O)[O-] ZINC001179075725 1009248961 /nfs/dbraw/zinc/24/89/61/1009248961.db2.gz IGHBHNZQTSOOEF-UHFFFAOYSA-N -1 3 350.306 2.583 20 5 FFBDHM C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001218029365 1032961349 /nfs/dbraw/zinc/96/13/49/1032961349.db2.gz CDABCUBHFQXCCJ-QMTHXVAHSA-N -1 3 371.389 2.830 20 5 FFBDHM CC1(C)C[C@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)CC[NH2+]1 ZINC001218478829 1033172327 /nfs/dbraw/zinc/17/23/27/1033172327.db2.gz OVUHSZHLQRWZAA-LLVKDONJSA-N -1 3 371.389 2.972 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001160947870 1027938543 /nfs/dbraw/zinc/93/85/43/1027938543.db2.gz BUOOMIFQOVPJGG-UHFFFAOYSA-N -1 3 364.321 2.697 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001160947870 1027938546 /nfs/dbraw/zinc/93/85/46/1027938546.db2.gz BUOOMIFQOVPJGG-UHFFFAOYSA-N -1 3 364.321 2.697 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3cc(C)c([N+](=O)[O-])cc3F)C2)n1 ZINC001164131124 1029181702 /nfs/dbraw/zinc/18/17/02/1029181702.db2.gz IYWHMAWECGATCM-LBPRGKRZSA-N -1 3 361.377 2.927 20 5 FFBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663843 1034356783 /nfs/dbraw/zinc/35/67/83/1034356783.db2.gz HSYVTFIXQGHQAF-JQWIXIFHSA-N -1 3 353.375 2.720 20 5 FFBDHM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744704 1035711407 /nfs/dbraw/zinc/71/14/07/1035711407.db2.gz HYBSCLNPZMILRM-XQQFMLRXSA-N -1 3 367.402 2.695 20 5 FFBDHM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744704 1035711420 /nfs/dbraw/zinc/71/14/20/1035711420.db2.gz HYBSCLNPZMILRM-XQQFMLRXSA-N -1 3 367.402 2.695 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(F)cccc3[N+](=O)[O-])nc21 ZINC001536405496 1069973040 /nfs/dbraw/zinc/97/30/40/1069973040.db2.gz PAHMRRSAIYXVLR-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM COC(=O)c1ncc2n1CCC[C@H]2Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228677592 1036249153 /nfs/dbraw/zinc/24/91/53/1036249153.db2.gz SCAQMRYISUJHMQ-CQSZACIVSA-N -1 3 371.353 2.677 20 5 FFBDHM C[C@@H](C[N+](C)(C)C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234125186 1036928657 /nfs/dbraw/zinc/92/86/57/1036928657.db2.gz OJIRGOMXNILBPW-JTQLQIEISA-O -1 3 360.386 2.537 20 5 FFBDHM CC(C)[N@@H+]1CC[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C1 ZINC001234125851 1036930217 /nfs/dbraw/zinc/93/02/17/1036930217.db2.gz YWHJTYOPJYQETG-GFCCVEGCSA-N -1 3 371.389 2.925 20 5 FFBDHM CC(C)[N@H+]1CC[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C1 ZINC001234125851 1036930234 /nfs/dbraw/zinc/93/02/34/1036930234.db2.gz YWHJTYOPJYQETG-GFCCVEGCSA-N -1 3 371.389 2.925 20 5 FFBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H](C(=O)c2ccccn2)c2ccccn2)n1 ZINC001231260193 1037516436 /nfs/dbraw/zinc/51/64/36/1037516436.db2.gz SAYIYMUIOYZGMP-KRWDZBQOSA-N -1 3 366.333 2.797 20 5 FFBDHM N[C@@H](Cc1nnn[n-]1)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247301257 1039699919 /nfs/dbraw/zinc/69/99/19/1039699919.db2.gz BGRRCTHGEORUPG-INIZCTEOSA-N -1 3 357.377 2.799 20 5 FFBDHM N[C@@H](Cc1nn[n-]n1)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247301257 1039699928 /nfs/dbraw/zinc/69/99/28/1039699928.db2.gz BGRRCTHGEORUPG-INIZCTEOSA-N -1 3 357.377 2.799 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001247999933 1040092648 /nfs/dbraw/zinc/09/26/48/1040092648.db2.gz PCCPBTRJZYTZIJ-UHFFFAOYSA-N -1 3 368.305 2.668 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001216532618 1042049867 /nfs/dbraw/zinc/04/98/67/1042049867.db2.gz DGRJACVJTMPHED-UHFFFAOYSA-N -1 3 367.369 2.960 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001216532618 1042049870 /nfs/dbraw/zinc/04/98/70/1042049870.db2.gz DGRJACVJTMPHED-UHFFFAOYSA-N -1 3 367.369 2.960 20 5 FFBDHM CN(CCC1CCCCC1)c1nnc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1C ZINC001263608388 1042399268 /nfs/dbraw/zinc/39/92/68/1042399268.db2.gz AZMXISLYEPZUBF-UHFFFAOYSA-N -1 3 360.418 2.898 20 5 FFBDHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001309668843 1043477025 /nfs/dbraw/zinc/47/70/25/1043477025.db2.gz WQEOIUYNBATCJQ-UHFFFAOYSA-N -1 3 353.400 2.802 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001309903987 1043582358 /nfs/dbraw/zinc/58/23/58/1043582358.db2.gz DQYIHKVJTMPYJT-JTQLQIEISA-N -1 3 355.441 2.696 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])s1 ZINC001475235581 1046728441 /nfs/dbraw/zinc/72/84/41/1046728441.db2.gz JUPFJSFQMMXBRK-LBPRGKRZSA-N -1 3 368.436 2.637 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/C2CC2)c(C(F)(F)F)c1 ZINC001327810981 1048049955 /nfs/dbraw/zinc/04/99/55/1048049955.db2.gz LXMGHDVTVCFEDU-OWOJBTEDSA-N -1 3 350.318 2.858 20 5 FFBDHM C[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC001301758821 1050974980 /nfs/dbraw/zinc/97/49/80/1050974980.db2.gz ARBQULUGGJFXBX-NSHDSACASA-N -1 3 356.382 2.778 20 5 FFBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC001303928171 1051472559 /nfs/dbraw/zinc/47/25/59/1051472559.db2.gz BQIVIENDIRJPGP-UHFFFAOYSA-N -1 3 352.144 2.735 20 5 FFBDHM O=c1[n-]c(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])nc2c1COCC2 ZINC001307192772 1052264936 /nfs/dbraw/zinc/26/49/36/1052264936.db2.gz GPFOTJHXSJQPMR-UHFFFAOYSA-N -1 3 370.287 2.794 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001309203132 1052573925 /nfs/dbraw/zinc/57/39/25/1052573925.db2.gz ZAMSKKYHUUMMGB-ZFWWWQNUSA-N -1 3 364.398 2.952 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001456329486 1060090798 /nfs/dbraw/zinc/09/07/98/1060090798.db2.gz HYPIQCVGVGCRMD-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001456329486 1060090820 /nfs/dbraw/zinc/09/08/20/1060090820.db2.gz HYPIQCVGVGCRMD-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c([N+](=O)[O-])s1 ZINC001475519142 1061123569 /nfs/dbraw/zinc/12/35/69/1061123569.db2.gz ZRWTZBAABZVTJQ-KWCYVHTRSA-N -1 3 368.411 2.720 20 5 FFBDHM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001475606269 1061161582 /nfs/dbraw/zinc/16/15/82/1061161582.db2.gz NAFMFBOONBYNEL-UHFFFAOYSA-N -1 3 350.462 2.573 20 5 FFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC001475749052 1061249186 /nfs/dbraw/zinc/24/91/86/1061249186.db2.gz FDTLHQYLNNEWOX-RKDXNWHRSA-N -1 3 350.849 2.811 20 5 FFBDHM COC(=O)c1ncc(C(F)(F)F)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC001462410755 1061611675 /nfs/dbraw/zinc/61/16/75/1061611675.db2.gz XPAZOYMIDVVJBG-UHFFFAOYSA-N -1 3 359.216 2.641 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001463416855 1062096392 /nfs/dbraw/zinc/09/63/92/1062096392.db2.gz BYBJVPRRBYPADB-ZDUSSCGKSA-N -1 3 360.407 2.667 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC001463978457 1062360431 /nfs/dbraw/zinc/36/04/31/1062360431.db2.gz WENZTZFQKYFFBC-YPMHNXCESA-N -1 3 360.457 2.591 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCC3)CO2)c(F)cc1[N+](=O)[O-] ZINC001464527479 1062666751 /nfs/dbraw/zinc/66/67/51/1062666751.db2.gz DFSNNXUTRPGLGG-GFCCVEGCSA-N -1 3 372.418 2.670 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1(C)CC1 ZINC001464729493 1062789026 /nfs/dbraw/zinc/78/90/26/1062789026.db2.gz HXCLTUVAKSHKFF-MRVPVSSYSA-N -1 3 363.233 2.824 20 5 FFBDHM O=C([N-]c1nnc2ccc(Br)cn21)c1ccc([N+](=O)[O-])s1 ZINC001533368178 1063285967 /nfs/dbraw/zinc/28/59/67/1063285967.db2.gz CSVSZEDZSFBXOM-UHFFFAOYSA-N -1 3 368.172 2.714 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469715162 1064199347 /nfs/dbraw/zinc/19/93/47/1064199347.db2.gz MYUSWOCTEONDOO-KGLIPLIRSA-N -1 3 358.398 2.608 20 5 FFBDHM O=c1cc(N2CC[C@@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)nc[n-]1 ZINC001472896020 1065170449 /nfs/dbraw/zinc/17/04/49/1065170449.db2.gz QNUBWCMMBJCAQC-SNVBAGLBSA-N -1 3 369.303 2.800 20 5 FFBDHM COc1c([O-])ccc(CNc2cccc([C@]3(C)COC(=O)N3)c2)c1[N+](=O)[O-] ZINC001474686598 1065581582 /nfs/dbraw/zinc/58/15/82/1065581582.db2.gz AOWYNRLZOULEDU-SFHVURJKSA-N -1 3 373.365 2.876 20 5 FFBDHM CC[C@@H](OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001578422901 1078472473 /nfs/dbraw/zinc/47/24/73/1078472473.db2.gz FEYSNQAALSULMQ-OAHLLOKOSA-N -1 3 368.353 2.786 20 5 FFBDHM CC[C@@H](OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001578422901 1078472475 /nfs/dbraw/zinc/47/24/75/1078472475.db2.gz FEYSNQAALSULMQ-OAHLLOKOSA-N -1 3 368.353 2.786 20 5 FFBDHM Cc1cc(N2CCNc3ccccc3C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580970710 1078899611 /nfs/dbraw/zinc/89/96/11/1078899611.db2.gz HJZLBEIDLNGHRF-UHFFFAOYSA-N -1 3 351.370 2.515 20 5 FFBDHM Cc1cc(N2CCNc3ccccc3C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580970710 1078899615 /nfs/dbraw/zinc/89/96/15/1078899615.db2.gz HJZLBEIDLNGHRF-UHFFFAOYSA-N -1 3 351.370 2.515 20 5 FFBDHM Cc1cc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)cc([N+](=O)[O-])c1 ZINC001580983890 1078903066 /nfs/dbraw/zinc/90/30/66/1078903066.db2.gz GIYMQGDGBOECKQ-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM Cc1cc(NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)cc([N+](=O)[O-])c1 ZINC001580983890 1078903069 /nfs/dbraw/zinc/90/30/69/1078903069.db2.gz GIYMQGDGBOECKQ-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001581214069 1078940001 /nfs/dbraw/zinc/94/00/01/1078940001.db2.gz YMZQGYWLSPOJGC-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001581214069 1078940003 /nfs/dbraw/zinc/94/00/03/1078940003.db2.gz YMZQGYWLSPOJGC-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cscc2Cl)c([N+](=O)[O-])c1 ZINC001583716381 1079253389 /nfs/dbraw/zinc/25/33/89/1079253389.db2.gz YXGWJCZDADZWHS-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM CCn1c(C)cc2n[n-]c(NC(=O)c3c(C)ccc([N+](=O)[O-])c3C)c2c1=O ZINC001559001548 1076113148 /nfs/dbraw/zinc/11/31/48/1076113148.db2.gz ZQKOCVDFSILAKC-UHFFFAOYSA-N -1 3 369.381 2.830 20 5 FFBDHM CC(=O)c1ccc(N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001559223671 1076136612 /nfs/dbraw/zinc/13/66/12/1076136612.db2.gz LTABVIVXBULWAT-WDEREUQCSA-N -1 3 372.381 2.973 20 5 FFBDHM Cc1nc(C)c(CCC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)c(=O)[n-]1 ZINC001586720215 1079674360 /nfs/dbraw/zinc/67/43/60/1079674360.db2.gz KPGYCRGYXVQGEV-UHFFFAOYSA-N -1 3 367.365 2.827 20 5 FFBDHM C[C@H](C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589011860 1080303524 /nfs/dbraw/zinc/30/35/24/1080303524.db2.gz PBDBAQKQWYDCGN-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@H](C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589011860 1080303530 /nfs/dbraw/zinc/30/35/30/1080303530.db2.gz PBDBAQKQWYDCGN-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM CC(C)(C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1[N+](=O)[O-] ZINC001589227355 1080432144 /nfs/dbraw/zinc/43/21/44/1080432144.db2.gz SHWMSYIJXZIPBY-UHFFFAOYSA-N -1 3 355.358 2.653 20 5 FFBDHM CC(C)(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1[N+](=O)[O-] ZINC001589227355 1080432148 /nfs/dbraw/zinc/43/21/48/1080432148.db2.gz SHWMSYIJXZIPBY-UHFFFAOYSA-N -1 3 355.358 2.653 20 5 FFBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001589621085 1080639234 /nfs/dbraw/zinc/63/92/34/1080639234.db2.gz DSYPKTWIKHGANF-UHFFFAOYSA-N -1 3 374.445 2.687 20 5 FFBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001589621085 1080639239 /nfs/dbraw/zinc/63/92/39/1080639239.db2.gz DSYPKTWIKHGANF-UHFFFAOYSA-N -1 3 374.445 2.687 20 5 FFBDHM C[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001589876118 1080823312 /nfs/dbraw/zinc/82/33/12/1080823312.db2.gz OQYVVJZTFPFCFV-LLVKDONJSA-N -1 3 371.376 2.851 20 5 FFBDHM C[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001589876118 1080823315 /nfs/dbraw/zinc/82/33/15/1080823315.db2.gz OQYVVJZTFPFCFV-LLVKDONJSA-N -1 3 371.376 2.851 20 5 FFBDHM C[C@@H](COc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589887441 1080834960 /nfs/dbraw/zinc/83/49/60/1080834960.db2.gz WMCOFKFUQXSZKK-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](COc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589887441 1080834968 /nfs/dbraw/zinc/83/49/68/1080834968.db2.gz WMCOFKFUQXSZKK-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC001589980502 1080918968 /nfs/dbraw/zinc/91/89/68/1080918968.db2.gz BPIKLVQINFNWRP-IINYFYTJSA-N -1 3 352.354 2.752 20 5 FFBDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033118 1080958485 /nfs/dbraw/zinc/95/84/85/1080958485.db2.gz OVURLRPKBMMPKK-QMMMGPOBSA-N -1 3 351.388 2.597 20 5 FFBDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033118 1080958490 /nfs/dbraw/zinc/95/84/90/1080958490.db2.gz OVURLRPKBMMPKK-QMMMGPOBSA-N -1 3 351.388 2.597 20 5 FFBDHM CC1(C)CC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001590093108 1081004516 /nfs/dbraw/zinc/00/45/16/1081004516.db2.gz OFFLSHRTARXJMC-QMMMGPOBSA-N -1 3 350.766 2.803 20 5 FFBDHM CC1(C)CC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001590093108 1081004525 /nfs/dbraw/zinc/00/45/25/1081004525.db2.gz OFFLSHRTARXJMC-QMMMGPOBSA-N -1 3 350.766 2.803 20 5 FFBDHM CC1(C)CCc2onc(CNc3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])c2C1 ZINC001590100997 1081013060 /nfs/dbraw/zinc/01/30/60/1081013060.db2.gz VIGYQJRJJZNTID-UHFFFAOYSA-N -1 3 369.385 2.890 20 5 FFBDHM CC1(C)CCc2onc(CNc3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])c2C1 ZINC001590100997 1081013068 /nfs/dbraw/zinc/01/30/68/1081013068.db2.gz VIGYQJRJJZNTID-UHFFFAOYSA-N -1 3 369.385 2.890 20 5 FFBDHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001590154457 1081055608 /nfs/dbraw/zinc/05/56/08/1081055608.db2.gz YUDUHZBNXMLOQN-GOSISDBHSA-N -1 3 366.381 2.527 20 5 FFBDHM Cc1c(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000273431277 252305910 /nfs/dbraw/zinc/30/59/10/252305910.db2.gz OYOPOZIOULBBKZ-SNVBAGLBSA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1c(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000273431277 252305913 /nfs/dbraw/zinc/30/59/13/252305913.db2.gz OYOPOZIOULBBKZ-SNVBAGLBSA-N -1 3 368.390 2.870 20 5 FFBDHM O=C([N-]OCCC(F)(F)F)c1cccc([N+](=O)[O-])c1Br ZINC000277379834 256191434 /nfs/dbraw/zinc/19/14/34/256191434.db2.gz WICIWZDZYIIGDU-UHFFFAOYSA-N -1 3 357.082 2.971 20 5 FFBDHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277488713 256203354 /nfs/dbraw/zinc/20/33/54/256203354.db2.gz WXYVGOAEQDBORK-KRWDZBQOSA-N -1 3 373.409 2.884 20 5 FFBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000332477947 258231763 /nfs/dbraw/zinc/23/17/63/258231763.db2.gz PEWCAFBERBPJKC-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000056038099 506916251 /nfs/dbraw/zinc/91/62/51/506916251.db2.gz FFWXVTPVOOIIQW-UHFFFAOYSA-N -1 3 368.386 3.000 20 5 FFBDHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000056040698 506916609 /nfs/dbraw/zinc/91/66/09/506916609.db2.gz AIURCZUDJGLPJA-UHFFFAOYSA-N -1 3 368.386 2.749 20 5 FFBDHM CCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000056060338 506921311 /nfs/dbraw/zinc/92/13/11/506921311.db2.gz WKHYKRILMBNBMV-UHFFFAOYSA-N -1 3 356.425 2.706 20 5 FFBDHM C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057021051 507151963 /nfs/dbraw/zinc/15/19/63/507151963.db2.gz BDRXUQBCDRSQNH-SNVBAGLBSA-N -1 3 372.349 2.619 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(OC(F)F)c1 ZINC000051157559 507745952 /nfs/dbraw/zinc/74/59/52/507745952.db2.gz BLHCUVIIJJKWFQ-UHFFFAOYSA-N -1 3 358.322 2.675 20 5 FFBDHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064244126 507786738 /nfs/dbraw/zinc/78/67/38/507786738.db2.gz PAKNMAOKPPDYKG-VIFPVBQESA-N -1 3 372.424 2.713 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000030493806 507809288 /nfs/dbraw/zinc/80/92/88/507809288.db2.gz CTJFXYOJFQLQCF-ZDUSSCGKSA-N -1 3 364.423 2.903 20 5 FFBDHM CCc1ccc([O-])c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000074826211 508058606 /nfs/dbraw/zinc/05/86/06/508058606.db2.gz OBIQISCZASKIJG-UHFFFAOYSA-N -1 3 353.334 2.957 20 5 FFBDHM C[C@@H]1CN(CC2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000092586998 508084372 /nfs/dbraw/zinc/08/43/72/508084372.db2.gz KNKSHHSNXHKHEO-HUUCEWRRSA-N -1 3 363.458 2.622 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1C ZINC000111368013 508094173 /nfs/dbraw/zinc/09/41/73/508094173.db2.gz KOAHZQBXWQEEFH-APPDUMDISA-N -1 3 362.407 2.815 20 5 FFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000080930114 508113569 /nfs/dbraw/zinc/11/35/69/508113569.db2.gz GRMNZEFTYAKTFG-AWEZNQCLSA-N -1 3 355.394 2.819 20 5 FFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000080930231 508114300 /nfs/dbraw/zinc/11/43/00/508114300.db2.gz GDGDFKNZKUMDEQ-CQSZACIVSA-N -1 3 355.394 2.819 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000093314580 508137941 /nfs/dbraw/zinc/13/79/41/508137941.db2.gz MXAAWCRHJPJUQR-UHFFFAOYSA-N -1 3 361.354 2.812 20 5 FFBDHM COCc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000101571366 508247829 /nfs/dbraw/zinc/24/78/29/508247829.db2.gz RWFSEAGVCCTTNQ-UHFFFAOYSA-N -1 3 350.396 2.528 20 5 FFBDHM COC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000103110683 508297272 /nfs/dbraw/zinc/29/72/72/508297272.db2.gz KWMLFBDXYSXMEY-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM Cc1ccc(-c2nsc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)n2)s1 ZINC000114538897 508325312 /nfs/dbraw/zinc/32/53/12/508325312.db2.gz HGSGRCUHZWSJMO-UHFFFAOYSA-N -1 3 363.380 2.836 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000116366601 508503991 /nfs/dbraw/zinc/50/39/91/508503991.db2.gz BGQINOOCYFNOKH-UHFFFAOYSA-N -1 3 353.425 2.799 20 5 FFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000116378072 508504655 /nfs/dbraw/zinc/50/46/55/508504655.db2.gz KKGKHTRKUBASAW-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000116378749 508505295 /nfs/dbraw/zinc/50/52/95/508505295.db2.gz PXCRZDYSPURLHY-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM Cc1c(C[S@](C)=O)cccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000116848910 508567758 /nfs/dbraw/zinc/56/77/58/508567758.db2.gz JEZFLIXWHQYFAZ-AREMUKBSSA-N -1 3 372.406 2.910 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)c1cccc(C)c1 ZINC000153458584 508585040 /nfs/dbraw/zinc/58/50/40/508585040.db2.gz KRMKIIRTMWZHAI-CYBMUJFWSA-N -1 3 364.423 2.994 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000123485992 508694567 /nfs/dbraw/zinc/69/45/67/508694567.db2.gz PDZJSJJVIYEEEH-UHFFFAOYSA-N -1 3 355.441 2.509 20 5 FFBDHM COCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000123858049 508748619 /nfs/dbraw/zinc/74/86/19/508748619.db2.gz SKSBOOHNMHLDPG-UHFFFAOYSA-N -1 3 374.415 2.729 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000123882095 508751847 /nfs/dbraw/zinc/75/18/47/508751847.db2.gz CWUNUKKVKZFHSG-LLVKDONJSA-N -1 3 368.436 2.809 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000154304160 508755785 /nfs/dbraw/zinc/75/57/85/508755785.db2.gz DMWJMUPLUOJHPM-APHBMKBZSA-N -1 3 364.810 2.865 20 5 FFBDHM Cc1c(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000158952850 508772939 /nfs/dbraw/zinc/77/29/39/508772939.db2.gz ZDJSWFSRBQKSMN-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)c1C ZINC000124109103 508784623 /nfs/dbraw/zinc/78/46/23/508784623.db2.gz IWCFDGWRKYFVNC-CQSZACIVSA-N -1 3 358.460 2.535 20 5 FFBDHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000124171590 508792086 /nfs/dbraw/zinc/79/20/86/508792086.db2.gz FBROPWIGVYJAKK-NSHDSACASA-N -1 3 364.851 2.571 20 5 FFBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000124270657 508807273 /nfs/dbraw/zinc/80/72/73/508807273.db2.gz GXHJYIKIGQQAII-UHFFFAOYSA-N -1 3 364.851 2.715 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1C ZINC000155814347 509076379 /nfs/dbraw/zinc/07/63/79/509076379.db2.gz YDBKFEMLMZMAJP-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126660210 509109541 /nfs/dbraw/zinc/10/95/41/509109541.db2.gz SDJFETXHXZZPQN-UHFFFAOYSA-N -1 3 370.814 2.873 20 5 FFBDHM CCc1nnc(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)o1 ZINC000185771413 509348106 /nfs/dbraw/zinc/34/81/06/509348106.db2.gz ONVWWQHBWUFFJD-UHFFFAOYSA-N -1 3 355.310 2.560 20 5 FFBDHM COCCn1c2ccccc2nc1NCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000185843769 509381839 /nfs/dbraw/zinc/38/18/39/509381839.db2.gz AOMGCMMIVABLGD-UHFFFAOYSA-N -1 3 372.381 2.917 20 5 FFBDHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189141289 509432221 /nfs/dbraw/zinc/43/22/21/509432221.db2.gz CVMFYQYXGOJNOX-NSHDSACASA-N -1 3 363.867 2.503 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000167597060 509634939 /nfs/dbraw/zinc/63/49/39/509634939.db2.gz DXAMGSRSHRMRRK-OCCSQVGLSA-N -1 3 362.407 2.746 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000173807383 509788746 /nfs/dbraw/zinc/78/87/46/509788746.db2.gz VHGRASDPOOFILH-CQSZACIVSA-N -1 3 372.349 2.539 20 5 FFBDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000186734611 509880594 /nfs/dbraw/zinc/88/05/94/509880594.db2.gz CKVRFXHBMUGOMA-QMMMGPOBSA-N -1 3 359.404 2.581 20 5 FFBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190184286 509993697 /nfs/dbraw/zinc/99/36/97/509993697.db2.gz GKJMTHGPODWKRH-GFCCVEGCSA-N -1 3 365.411 2.655 20 5 FFBDHM Cc1cc(C(=O)NCC(=O)Nc2cc(Cl)ccc2[O-])ccc1[N+](=O)[O-] ZINC000194069734 510200604 /nfs/dbraw/zinc/20/06/04/510200604.db2.gz BNKCWEJRGDAJTQ-UHFFFAOYSA-N -1 3 363.757 2.631 20 5 FFBDHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000184249064 510217284 /nfs/dbraw/zinc/21/72/84/510217284.db2.gz XJRABGVKNXJONA-UHFFFAOYSA-N -1 3 358.807 2.504 20 5 FFBDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194435854 510362609 /nfs/dbraw/zinc/36/26/09/510362609.db2.gz WKTRDDHGWXUKOP-UHFFFAOYSA-N -1 3 365.411 2.647 20 5 FFBDHM O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194738554 510503971 /nfs/dbraw/zinc/50/39/71/510503971.db2.gz VRPNUBNQLRDVRF-OAHLLOKOSA-N -1 3 355.394 2.552 20 5 FFBDHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000181848273 510624065 /nfs/dbraw/zinc/62/40/65/510624065.db2.gz BITXSRGKOUSOGU-UHFFFAOYSA-N -1 3 350.824 2.732 20 5 FFBDHM Cc1nc(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)[nH]c1C ZINC000364459186 510878708 /nfs/dbraw/zinc/87/87/08/510878708.db2.gz UARKPPQJCUXNTH-UHFFFAOYSA-N -1 3 353.338 2.955 20 5 FFBDHM CC(C)(O)CO[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000299122297 511523157 /nfs/dbraw/zinc/52/31/57/511523157.db2.gz WWNZBXBMQJRVDM-UHFFFAOYSA-N -1 3 360.366 2.606 20 5 FFBDHM CO[C@H]1Cc2ccccc2N(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)C1 ZINC000374482907 512853671 /nfs/dbraw/zinc/85/36/71/512853671.db2.gz DQNYUZOHXHFFGS-ZDUSSCGKSA-N -1 3 352.350 2.689 20 5 FFBDHM CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000383122929 512880659 /nfs/dbraw/zinc/88/06/59/512880659.db2.gz CPYLCSNTIMUVGS-HNNXBMFYSA-N -1 3 370.409 2.646 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412345799 513046982 /nfs/dbraw/zinc/04/69/82/513046982.db2.gz ZWDMOASXQPUCDV-SNVBAGLBSA-N -1 3 367.203 2.710 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@H](C)C2)c1C ZINC000440080059 513242785 /nfs/dbraw/zinc/24/27/85/513242785.db2.gz QJAMHRIVIRAFSB-JSGCOSHPSA-N -1 3 369.487 2.610 20 5 FFBDHM CN(C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cccc21 ZINC000447720345 513551191 /nfs/dbraw/zinc/55/11/91/513551191.db2.gz BJWAXTCWQUQPTF-HNNXBMFYSA-N -1 3 357.366 2.938 20 5 FFBDHM CCOc1ccncc1S(=O)(=O)[N-][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000451284948 513651945 /nfs/dbraw/zinc/65/19/45/513651945.db2.gz KTPXETZZDSWGKN-GFCCVEGCSA-N -1 3 365.411 2.736 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451333352 513681053 /nfs/dbraw/zinc/68/10/53/513681053.db2.gz XZWFRHFGMIDSKE-LBPRGKRZSA-N -1 3 370.287 2.862 20 5 FFBDHM CSCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416397626 513751675 /nfs/dbraw/zinc/75/16/75/513751675.db2.gz AUSYHIIEOOEVCE-UHFFFAOYSA-N -1 3 358.363 2.645 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000442741451 513763487 /nfs/dbraw/zinc/76/34/87/513763487.db2.gz AWXYWYMGNRJZHT-SNVBAGLBSA-N -1 3 360.407 2.990 20 5 FFBDHM C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416489802 513798739 /nfs/dbraw/zinc/79/87/39/513798739.db2.gz SJDGFRQUVGDPBO-CBAPKCEASA-N -1 3 370.374 2.643 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)c1C ZINC000416527055 513817479 /nfs/dbraw/zinc/81/74/79/513817479.db2.gz KXTKTCWSDJEISZ-NSHDSACASA-N -1 3 353.375 2.785 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000416538832 513823978 /nfs/dbraw/zinc/82/39/78/513823978.db2.gz RFTUEHRVIXXMQH-VIFPVBQESA-N -1 3 353.425 2.580 20 5 FFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000416577599 513844260 /nfs/dbraw/zinc/84/42/60/513844260.db2.gz BERDREMSHHMHAP-IONNQARKSA-N -1 3 370.374 2.786 20 5 FFBDHM COC(=O)c1cc(Cl)c(Cl)cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000431181606 513846467 /nfs/dbraw/zinc/84/64/67/513846467.db2.gz MJUQXEMPCAFODX-UHFFFAOYSA-N -1 3 373.152 2.674 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000416584598 513848976 /nfs/dbraw/zinc/84/89/76/513848976.db2.gz NKBHMEUKVQMIET-GXTWGEPZSA-N -1 3 354.428 2.708 20 5 FFBDHM NC(=O)c1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000419592197 513854101 /nfs/dbraw/zinc/85/41/01/513854101.db2.gz VJWKMMSXORQOAI-UHFFFAOYSA-N -1 3 360.395 2.500 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c(Cl)c1 ZINC000443208217 513900095 /nfs/dbraw/zinc/90/00/95/513900095.db2.gz NVUACXALQGPGQU-ZDUSSCGKSA-N -1 3 368.798 2.920 20 5 FFBDHM CCOC(=O)c1cc(C(=O)Nc2ccc(OC)cc2[O-])cc([N+](=O)[O-])c1 ZINC000443555468 513994449 /nfs/dbraw/zinc/99/44/49/513994449.db2.gz BNFFVWKBOFQLKT-UHFFFAOYSA-N -1 3 360.322 2.738 20 5 FFBDHM COc1cccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000436887142 514021994 /nfs/dbraw/zinc/02/19/94/514021994.db2.gz PHFLRPOSTDYZNY-UHFFFAOYSA-N -1 3 350.758 2.935 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1cc(C)ccc1F ZINC000451924266 514074134 /nfs/dbraw/zinc/07/41/34/514074134.db2.gz ITDLXSOHNAJBGX-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM Cc1ccc(-c2nnc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)[n-]2)o1 ZINC000437667163 514207173 /nfs/dbraw/zinc/20/71/73/514207173.db2.gz OCCJIBLEBQKXJG-UHFFFAOYSA-N -1 3 357.326 2.607 20 5 FFBDHM Cc1ccc(-c2n[n-]c(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)o1 ZINC000437667163 514207178 /nfs/dbraw/zinc/20/71/78/514207178.db2.gz OCCJIBLEBQKXJG-UHFFFAOYSA-N -1 3 357.326 2.607 20 5 FFBDHM Cc1ccc(-c2nc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n[n-]2)o1 ZINC000437667163 514207184 /nfs/dbraw/zinc/20/71/84/514207184.db2.gz OCCJIBLEBQKXJG-UHFFFAOYSA-N -1 3 357.326 2.607 20 5 FFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1nc2c(s1)CCC2 ZINC000414748163 514271581 /nfs/dbraw/zinc/27/15/81/514271581.db2.gz UIIBBMPOBLOQBC-UHFFFAOYSA-N -1 3 361.379 2.954 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000438944458 514471107 /nfs/dbraw/zinc/47/11/07/514471107.db2.gz XVNKWARUBOYMBZ-UHFFFAOYSA-N -1 3 360.704 2.566 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000433444714 514494466 /nfs/dbraw/zinc/49/44/66/514494466.db2.gz VOQIWIJVWHKFMN-NWDGAFQWSA-N -1 3 356.400 2.938 20 5 FFBDHM CC(C)CC(=O)Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000484239192 514599261 /nfs/dbraw/zinc/59/92/61/514599261.db2.gz UUDBBEVJBDXXQL-UHFFFAOYSA-N -1 3 358.354 2.932 20 5 FFBDHM O=C(c1ccc2n[n-]nc2c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498153358 514781190 /nfs/dbraw/zinc/78/11/90/514781190.db2.gz OUIDNPBHCBRNOZ-MRXNPFEDSA-N -1 3 355.379 2.754 20 5 FFBDHM Cc1nc(C)c(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC000498153023 514781993 /nfs/dbraw/zinc/78/19/93/514781993.db2.gz MDDGRVQBXOCJLZ-KRWDZBQOSA-N -1 3 374.422 2.524 20 5 FFBDHM Cc1ccc(-c2nc([N-]C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)n[nH]2)cc1 ZINC000489402145 514830449 /nfs/dbraw/zinc/83/04/49/514830449.db2.gz AOOBFEXKSYWBCH-UHFFFAOYSA-N -1 3 367.321 2.669 20 5 FFBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467073113 514887688 /nfs/dbraw/zinc/88/76/88/514887688.db2.gz QMPACJXDPLSVGS-CYBMUJFWSA-N -1 3 370.452 2.501 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000467074990 514889362 /nfs/dbraw/zinc/88/93/62/514889362.db2.gz NMVLBVSOOXADML-UHFFFAOYSA-N -1 3 356.425 2.581 20 5 FFBDHM CC1(C)CCC([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000462311057 514987468 /nfs/dbraw/zinc/98/74/68/514987468.db2.gz DLJQJJIFEFNLLY-UHFFFAOYSA-N -1 3 370.427 2.613 20 5 FFBDHM CCc1cc(NCc2ncccc2[O-])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480580754 515007941 /nfs/dbraw/zinc/00/79/41/515007941.db2.gz NTADLDBMJNECOC-UHFFFAOYSA-N -1 3 351.366 2.749 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000480737028 515065230 /nfs/dbraw/zinc/06/52/30/515065230.db2.gz IBYJQUNOQFFGQK-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000462496613 515086237 /nfs/dbraw/zinc/08/62/37/515086237.db2.gz RTBDSMIGCGOJRB-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Cc1cccs1 ZINC000462495883 515086318 /nfs/dbraw/zinc/08/63/18/515086318.db2.gz NPPWOQAOIAUPKK-SNVBAGLBSA-N -1 3 358.416 2.953 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Cc1cccs1 ZINC000462495882 515086342 /nfs/dbraw/zinc/08/63/42/515086342.db2.gz NPPWOQAOIAUPKK-JTQLQIEISA-N -1 3 358.416 2.953 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)c1[N+](=O)[O-] ZINC000490115593 515111896 /nfs/dbraw/zinc/11/18/96/515111896.db2.gz WSRCNMZPEZPVRK-INIZCTEOSA-N -1 3 370.471 2.677 20 5 FFBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])nc2c1 ZINC000481014478 515172414 /nfs/dbraw/zinc/17/24/14/515172414.db2.gz ONMMFSOIDFAKSK-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000462700823 515197645 /nfs/dbraw/zinc/19/76/45/515197645.db2.gz NPSPXXUIFIROFP-RWMBFGLXSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1ccc(Sc2nsc([N-]C(=O)c3cc([N+](=O)[O-])n[nH]3)n2)cc1 ZINC000499180371 515228045 /nfs/dbraw/zinc/22/80/45/515228045.db2.gz IOZUDMGEPBYCDY-UHFFFAOYSA-N -1 3 362.396 2.881 20 5 FFBDHM COc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)[n-]1 ZINC000490743332 515295389 /nfs/dbraw/zinc/29/53/89/515295389.db2.gz FKQLXFOVRGQFAC-UHFFFAOYSA-N -1 3 368.353 2.586 20 5 FFBDHM COc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n[n-]1 ZINC000490743332 515295396 /nfs/dbraw/zinc/29/53/96/515295396.db2.gz FKQLXFOVRGQFAC-UHFFFAOYSA-N -1 3 368.353 2.586 20 5 FFBDHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 ZINC000490743332 515295404 /nfs/dbraw/zinc/29/54/04/515295404.db2.gz FKQLXFOVRGQFAC-UHFFFAOYSA-N -1 3 368.353 2.586 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481364407 515305069 /nfs/dbraw/zinc/30/50/69/515305069.db2.gz QNRYRWBSTLLREP-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481364407 515305082 /nfs/dbraw/zinc/30/50/82/515305082.db2.gz QNRYRWBSTLLREP-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481364407 515305095 /nfs/dbraw/zinc/30/50/95/515305095.db2.gz QNRYRWBSTLLREP-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cccc([N+](=O)[O-])c1 ZINC000486084538 515327694 /nfs/dbraw/zinc/32/76/94/515327694.db2.gz HIADBGGPQKEVMD-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490940303 515337746 /nfs/dbraw/zinc/33/77/46/515337746.db2.gz MNESGHIQIZKDOU-NSHDSACASA-N -1 3 368.340 2.559 20 5 FFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490941254 515338113 /nfs/dbraw/zinc/33/81/13/515338113.db2.gz OOGMZIOGGAYJJL-UHFFFAOYSA-N -1 3 372.353 2.716 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000499702233 515419613 /nfs/dbraw/zinc/41/96/13/515419613.db2.gz CYHPHTKAPAYPFF-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2ccccc2F)c1[N+](=O)[O-] ZINC000478162281 515721978 /nfs/dbraw/zinc/72/19/78/515721978.db2.gz ICIRRTQHTLRKSE-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000464454166 515833559 /nfs/dbraw/zinc/83/35/59/515833559.db2.gz XIEYKHCIGHOAKH-UHFFFAOYSA-N -1 3 350.203 2.878 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000478757276 515952286 /nfs/dbraw/zinc/95/22/86/515952286.db2.gz CBDBHFXYKJGOKT-HIFRSBDPSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000478757278 515952485 /nfs/dbraw/zinc/95/24/85/515952485.db2.gz CBDBHFXYKJGOKT-ZFWWWQNUSA-N -1 3 356.444 2.775 20 5 FFBDHM C[S@](=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000495294403 516131387 /nfs/dbraw/zinc/13/13/87/516131387.db2.gz JVCCBPFOEWWBQF-VWLOTQADSA-N -1 3 362.342 2.600 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 ZINC000507482105 516220825 /nfs/dbraw/zinc/22/08/25/516220825.db2.gz LRBXINUHEZSNBB-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN(Cc2cccnc2)C1 ZINC000539970646 516379857 /nfs/dbraw/zinc/37/98/57/516379857.db2.gz HOHHZSLLLKSIBP-AWEZNQCLSA-N -1 3 356.382 2.546 20 5 FFBDHM O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000513072101 516460081 /nfs/dbraw/zinc/46/00/81/516460081.db2.gz XGWUDEGJDLXPPZ-UHFFFAOYSA-N -1 3 358.354 2.539 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000531685837 516596450 /nfs/dbraw/zinc/59/64/50/516596450.db2.gz QFMPADOJMIJIFP-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc2ccccc2c(=O)[nH]1 ZINC000548096555 516758640 /nfs/dbraw/zinc/75/86/40/516758640.db2.gz IDVWDFPFASHIEC-UHFFFAOYSA-N -1 3 354.322 2.895 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000558479801 516767566 /nfs/dbraw/zinc/76/75/66/516767566.db2.gz VPXOVIAACLHXAO-LBPRGKRZSA-N -1 3 368.436 2.555 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)cc1C ZINC000533553476 517521335 /nfs/dbraw/zinc/52/13/35/517521335.db2.gz RXOJCHXSMVBQNS-HNNXBMFYSA-N -1 3 364.423 2.532 20 5 FFBDHM CN(C)C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549621818 517639784 /nfs/dbraw/zinc/63/97/84/517639784.db2.gz GQXRESFSDOIALU-MRXNPFEDSA-N -1 3 363.801 2.987 20 5 FFBDHM CCC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCN1CCOC ZINC000516572864 517749668 /nfs/dbraw/zinc/74/96/68/517749668.db2.gz QFTCHNWKRAQSAY-AWEZNQCLSA-N -1 3 365.430 2.539 20 5 FFBDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000553571423 517789923 /nfs/dbraw/zinc/78/99/23/517789923.db2.gz KDXNGMKWKMJLSD-QLJPJBMISA-N -1 3 366.370 2.676 20 5 FFBDHM Cc1nc(C2CC2)oc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000546861988 517893392 /nfs/dbraw/zinc/89/33/92/517893392.db2.gz YRLPANMHYJVRPH-UHFFFAOYSA-N -1 3 353.338 2.833 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1cnn(C(C)C)c1 ZINC000522135070 517997407 /nfs/dbraw/zinc/99/74/07/517997407.db2.gz HPSLALDVIBKBKO-LBPRGKRZSA-N -1 3 352.416 2.720 20 5 FFBDHM C[C@@]1(c2ccc(CNc3ccc(Cl)cc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000522385121 518091942 /nfs/dbraw/zinc/09/19/42/518091942.db2.gz LFVMHAUJYMCVEV-KRWDZBQOSA-N -1 3 374.784 2.915 20 5 FFBDHM COc1nnccc1[N-]C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000517261501 518096197 /nfs/dbraw/zinc/09/61/97/518096197.db2.gz QOLYHNXEUZYKRS-UHFFFAOYSA-N -1 3 372.259 2.587 20 5 FFBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000517352038 518125354 /nfs/dbraw/zinc/12/53/54/518125354.db2.gz BJPARUAFXJBVEM-OAHLLOKOSA-N -1 3 364.423 2.532 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(F)ccc12 ZINC000531144127 518153283 /nfs/dbraw/zinc/15/32/83/518153283.db2.gz MVGFXEZPMNPQAZ-UHFFFAOYSA-N -1 3 363.370 2.736 20 5 FFBDHM C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000567166625 518385749 /nfs/dbraw/zinc/38/57/49/518385749.db2.gz HABUJNIQRWOBCB-LRDDRELGSA-N -1 3 358.398 2.538 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c1C ZINC000584541738 518390575 /nfs/dbraw/zinc/39/05/75/518390575.db2.gz XJGLPOMYUWLQQF-HNNXBMFYSA-N -1 3 368.455 2.839 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000570635149 518704631 /nfs/dbraw/zinc/70/46/31/518704631.db2.gz XQHVPENOFIOLQJ-HUUCEWRRSA-N -1 3 356.382 2.854 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000588141680 518734346 /nfs/dbraw/zinc/73/43/46/518734346.db2.gz PQAXQPOZYRXVCY-UOWDBTKRSA-N -1 3 372.399 2.904 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000577118285 518921686 /nfs/dbraw/zinc/92/16/86/518921686.db2.gz WQEXXEFCUSCIIO-LJQANCHMSA-N -1 3 356.378 2.832 20 5 FFBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000571483781 519116324 /nfs/dbraw/zinc/11/63/24/519116324.db2.gz OVDVPXYHIAJBPS-MRXNPFEDSA-N -1 3 364.423 2.633 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2(F)CCC2)c2ncccc12 ZINC000577520193 519122954 /nfs/dbraw/zinc/12/29/54/519122954.db2.gz UFGVNIXDRKHCFC-UHFFFAOYSA-N -1 3 353.375 2.704 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccncc1 ZINC000590590300 519277570 /nfs/dbraw/zinc/27/75/70/519277570.db2.gz CQWHFODDCQRLES-ZDUSSCGKSA-N -1 3 353.375 2.867 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594472873 519982799 /nfs/dbraw/zinc/98/27/99/519982799.db2.gz HEZCVGLGUPHIOG-GJZGRUSLSA-N -1 3 354.428 2.529 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)c(F)c1 ZINC000594869161 520199129 /nfs/dbraw/zinc/19/91/29/520199129.db2.gz ABXVFXLKPBAXPB-UHFFFAOYSA-N -1 3 364.345 2.980 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])c1ccccn1 ZINC000609197008 520228529 /nfs/dbraw/zinc/22/85/29/520228529.db2.gz DSZVZFIQCVJLRN-CQSZACIVSA-N -1 3 365.411 2.818 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000609322567 520277367 /nfs/dbraw/zinc/27/73/67/520277367.db2.gz BURWMXUNLRJOKR-UHFFFAOYSA-N -1 3 370.358 2.860 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc2ccccc2n1 ZINC000609638564 520391754 /nfs/dbraw/zinc/39/17/54/520391754.db2.gz LBTPULIYOQFDGD-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000604026922 520429986 /nfs/dbraw/zinc/42/99/86/520429986.db2.gz ZOVNHHMOMFNPQH-UHFFFAOYSA-N -1 3 350.396 2.528 20 5 FFBDHM Cc1oc2ncnc([N-]C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2c1C ZINC000609814194 520442224 /nfs/dbraw/zinc/44/22/24/520442224.db2.gz LQMMLHXXXUPPBL-UHFFFAOYSA-N -1 3 356.294 2.729 20 5 FFBDHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598194347 520485278 /nfs/dbraw/zinc/48/52/78/520485278.db2.gz FWUAWGCXRYWHRB-QGZVFWFLSA-N -1 3 369.421 2.689 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000595526199 520529227 /nfs/dbraw/zinc/52/92/27/520529227.db2.gz LZWVDEOGQGVEMY-UHFFFAOYSA-N -1 3 373.413 2.561 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000610518366 520726067 /nfs/dbraw/zinc/72/60/67/520726067.db2.gz FQGFYMSDNFIIOP-JTQLQIEISA-N -1 3 355.803 2.725 20 5 FFBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598604418 520737402 /nfs/dbraw/zinc/73/74/02/520737402.db2.gz NMFQHZKQENIMTI-OAHLLOKOSA-N -1 3 364.423 2.532 20 5 FFBDHM COC(=O)c1cccc(NC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596168025 520949141 /nfs/dbraw/zinc/94/91/41/520949141.db2.gz NLCAIFIPKFTDQN-UHFFFAOYSA-N -1 3 372.381 2.563 20 5 FFBDHM O=c1[n-]ccc(N2CCN(c3nccc4sccc43)CC2)c1[N+](=O)[O-] ZINC000596233238 520986672 /nfs/dbraw/zinc/98/66/72/520986672.db2.gz BFWZTVVBWQRXJS-UHFFFAOYSA-N -1 3 357.395 2.632 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H](NCc2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000596243446 520992264 /nfs/dbraw/zinc/99/22/64/520992264.db2.gz GBGWKVJJVFXIFO-GFCCVEGCSA-N -1 3 356.304 2.828 20 5 FFBDHM COc1cc(OC)c(C[C@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])c(OC)c1 ZINC000596253921 520995620 /nfs/dbraw/zinc/99/56/20/520995620.db2.gz ZMEUKBKMOPHHHZ-JTQLQIEISA-N -1 3 363.370 2.764 20 5 FFBDHM COC(=O)C(C)(C)n1cc([N-]c2ncc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000596518962 521111576 /nfs/dbraw/zinc/11/15/76/521111576.db2.gz NPGYRCSCSRVZFL-UHFFFAOYSA-N -1 3 373.291 2.857 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000599375111 521182653 /nfs/dbraw/zinc/18/26/53/521182653.db2.gz KYRLWSDRQMNIJX-APHBMKBZSA-N -1 3 364.810 2.865 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCCC1 ZINC000599391705 521194591 /nfs/dbraw/zinc/19/45/91/521194591.db2.gz QLYKBTLAIQAZMQ-HNNXBMFYSA-N -1 3 367.471 2.589 20 5 FFBDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000599444657 521231218 /nfs/dbraw/zinc/23/12/18/521231218.db2.gz AIOOMYJCFPXPDH-UHFFFAOYSA-N -1 3 366.386 2.953 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)cc1C ZINC000599464732 521239986 /nfs/dbraw/zinc/23/99/86/521239986.db2.gz RNWRREOZKGGMCV-OAHLLOKOSA-N -1 3 367.471 2.507 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2cc(C)ccc21 ZINC000619478332 521588612 /nfs/dbraw/zinc/58/86/12/521588612.db2.gz BGXMADDFOODZOX-CQSZACIVSA-N -1 3 362.407 2.878 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000597264863 521603426 /nfs/dbraw/zinc/60/34/26/521603426.db2.gz NGBONVIMWJKIFK-NSHDSACASA-N -1 3 374.422 2.744 20 5 FFBDHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000489068052 561402661 /nfs/dbraw/zinc/40/26/61/561402661.db2.gz HRHMHQVFCBKNTE-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000823635273 599053806 /nfs/dbraw/zinc/05/38/06/599053806.db2.gz UUAMRYKXLJHLQM-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1cc(Br)ccc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000823635273 599053808 /nfs/dbraw/zinc/05/38/08/599053808.db2.gz UUAMRYKXLJHLQM-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(Cc3ccncc3)cc2)c(-c2nnn[n-]2)c1 ZINC000823652277 599153971 /nfs/dbraw/zinc/15/39/71/599153971.db2.gz YGEJSBBMUDAJHG-UHFFFAOYSA-N -1 3 374.364 2.899 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(Cc3ccncc3)cc2)c(-c2nn[n-]n2)c1 ZINC000823652277 599153974 /nfs/dbraw/zinc/15/39/74/599153974.db2.gz YGEJSBBMUDAJHG-UHFFFAOYSA-N -1 3 374.364 2.899 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822271426 599236799 /nfs/dbraw/zinc/23/67/99/599236799.db2.gz ZPQYXZGZURPUDN-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822271426 599236801 /nfs/dbraw/zinc/23/68/01/599236801.db2.gz ZPQYXZGZURPUDN-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1-c1nnn[n-]1 ZINC000822108905 607322142 /nfs/dbraw/zinc/32/21/42/607322142.db2.gz LZMWFEDLHCXBMV-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1-c1nn[n-]n1 ZINC000822108905 607322143 /nfs/dbraw/zinc/32/21/43/607322143.db2.gz LZMWFEDLHCXBMV-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM CSCC[C@@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962868 607327455 /nfs/dbraw/zinc/32/74/55/607327455.db2.gz XWUDSZNZGKDDOC-SNVBAGLBSA-N -1 3 373.442 2.901 20 5 FFBDHM CSCC[C@@H](C)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962868 607327456 /nfs/dbraw/zinc/32/74/56/607327456.db2.gz XWUDSZNZGKDDOC-SNVBAGLBSA-N -1 3 373.442 2.901 20 5 FFBDHM CSCC[C@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962866 607327589 /nfs/dbraw/zinc/32/75/89/607327589.db2.gz XWUDSZNZGKDDOC-JTQLQIEISA-N -1 3 373.442 2.901 20 5 FFBDHM CSCC[C@H](C)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962866 607327590 /nfs/dbraw/zinc/32/75/90/607327590.db2.gz XWUDSZNZGKDDOC-JTQLQIEISA-N -1 3 373.442 2.901 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCCc2c[nH]c3ccccc23)c(-c2nnn[n-]2)c1 ZINC000738374964 598467836 /nfs/dbraw/zinc/46/78/36/598467836.db2.gz VHLNHOMMYINHQB-UHFFFAOYSA-N -1 3 364.369 2.696 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCCc2c[nH]c3ccccc23)c(-c2nn[n-]n2)c1 ZINC000738374964 598467838 /nfs/dbraw/zinc/46/78/38/598467838.db2.gz VHLNHOMMYINHQB-UHFFFAOYSA-N -1 3 364.369 2.696 20 5 FFBDHM CCOc1ccccc1CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736654733 598520804 /nfs/dbraw/zinc/52/08/04/598520804.db2.gz WQNIJXIRGIDNHW-UHFFFAOYSA-N -1 3 354.370 2.828 20 5 FFBDHM CCOc1ccccc1CCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736654733 598520806 /nfs/dbraw/zinc/52/08/06/598520806.db2.gz WQNIJXIRGIDNHW-UHFFFAOYSA-N -1 3 354.370 2.828 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737373241 598709590 /nfs/dbraw/zinc/70/95/90/598709590.db2.gz RAKZJSOSUOTEGO-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737373241 598709591 /nfs/dbraw/zinc/70/95/91/598709591.db2.gz RAKZJSOSUOTEGO-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1OCCc2ccccc21 ZINC000738357604 598817782 /nfs/dbraw/zinc/81/77/82/598817782.db2.gz GJFLMYVGJDLUBW-MRXNPFEDSA-N -1 3 352.354 2.501 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1OCCc2ccccc21 ZINC000738357604 598817784 /nfs/dbraw/zinc/81/77/84/598817784.db2.gz GJFLMYVGJDLUBW-MRXNPFEDSA-N -1 3 352.354 2.501 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H]2OCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738371867 598818167 /nfs/dbraw/zinc/81/81/67/598818167.db2.gz YIYNQLKJYJPBGF-MRXNPFEDSA-N -1 3 352.354 2.501 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738371867 598818169 /nfs/dbraw/zinc/81/81/69/598818169.db2.gz YIYNQLKJYJPBGF-MRXNPFEDSA-N -1 3 352.354 2.501 20 5 FFBDHM CCOCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821377887 599485772 /nfs/dbraw/zinc/48/57/72/599485772.db2.gz HUJFAMYAUALSMA-UHFFFAOYSA-N -1 3 357.374 2.552 20 5 FFBDHM CCOCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821377887 599485775 /nfs/dbraw/zinc/48/57/75/599485775.db2.gz HUJFAMYAUALSMA-UHFFFAOYSA-N -1 3 357.374 2.552 20 5 FFBDHM CC(C)(CO)CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819984630 599570474 /nfs/dbraw/zinc/57/04/74/599570474.db2.gz ZOURPWQEHBUEBY-UHFFFAOYSA-N -1 3 371.401 2.534 20 5 FFBDHM CC(C)(CO)CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819984630 599570477 /nfs/dbraw/zinc/57/04/77/599570477.db2.gz ZOURPWQEHBUEBY-UHFFFAOYSA-N -1 3 371.401 2.534 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821882872 599586048 /nfs/dbraw/zinc/58/60/48/599586048.db2.gz MRARFTHWQKBGIM-WMZOPIPTSA-N -1 3 366.381 2.926 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821882872 599586050 /nfs/dbraw/zinc/58/60/50/599586050.db2.gz MRARFTHWQKBGIM-WMZOPIPTSA-N -1 3 366.381 2.926 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC000826451041 607523665 /nfs/dbraw/zinc/52/36/65/607523665.db2.gz NFVOBWKHSKZVRB-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC000826451041 607523667 /nfs/dbraw/zinc/52/36/67/607523667.db2.gz NFVOBWKHSKZVRB-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM C[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820508716 606352928 /nfs/dbraw/zinc/35/29/28/606352928.db2.gz VZHBIRHUWWRRFD-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820508716 606352929 /nfs/dbraw/zinc/35/29/29/606352929.db2.gz VZHBIRHUWWRRFD-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM Cc1cc(F)cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000822203337 606561492 /nfs/dbraw/zinc/56/14/92/606561492.db2.gz PDNSEBCBTHIMIR-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(F)cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000822203337 606561493 /nfs/dbraw/zinc/56/14/93/606561493.db2.gz PDNSEBCBTHIMIR-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820461284 606592167 /nfs/dbraw/zinc/59/21/67/606592167.db2.gz GQVOMMFTMHFWEO-YHAQOWFVSA-N -1 3 367.369 2.535 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000820461284 606592168 /nfs/dbraw/zinc/59/21/68/606592168.db2.gz GQVOMMFTMHFWEO-YHAQOWFVSA-N -1 3 367.369 2.535 20 5 FFBDHM O=[N+]([O-])c1cc(NCc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000823635326 606645298 /nfs/dbraw/zinc/64/52/98/606645298.db2.gz VUTAQXLBSLACOT-UHFFFAOYSA-N -1 3 362.353 2.573 20 5 FFBDHM C[C@@]1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820633563 606728517 /nfs/dbraw/zinc/72/85/17/606728517.db2.gz CKBYICCERSGSDQ-GOSISDBHSA-N -1 3 350.382 2.943 20 5 FFBDHM C[C@@]1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820633563 606728518 /nfs/dbraw/zinc/72/85/18/606728518.db2.gz CKBYICCERSGSDQ-GOSISDBHSA-N -1 3 350.382 2.943 20 5 FFBDHM COc1ccc(CNCc2cc([N+](=O)[O-])ccc2Cl)cc1-c1nnn[n-]1 ZINC000821818512 606772318 /nfs/dbraw/zinc/77/23/18/606772318.db2.gz USUYNZWZXYCQII-UHFFFAOYSA-N -1 3 374.788 2.727 20 5 FFBDHM COc1ccc(CNCc2cc([N+](=O)[O-])ccc2Cl)cc1-c1nn[n-]n1 ZINC000821818512 606772319 /nfs/dbraw/zinc/77/23/19/606772319.db2.gz USUYNZWZXYCQII-UHFFFAOYSA-N -1 3 374.788 2.727 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCOC2(C1)CCCCCC2 ZINC000823629769 606878921 /nfs/dbraw/zinc/87/89/21/606878921.db2.gz GWHIWQUDJDPFSP-UHFFFAOYSA-N -1 3 358.402 2.705 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCOC2(C1)CCCCCC2 ZINC000823629769 606878922 /nfs/dbraw/zinc/87/89/22/606878922.db2.gz GWHIWQUDJDPFSP-UHFFFAOYSA-N -1 3 358.402 2.705 20 5 FFBDHM Cc1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000822299925 607032502 /nfs/dbraw/zinc/03/25/02/607032502.db2.gz ZMFCLOFIANXUQA-INIZCTEOSA-N -1 3 351.370 2.820 20 5 FFBDHM Cc1cccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000822299925 607032504 /nfs/dbraw/zinc/03/25/04/607032504.db2.gz ZMFCLOFIANXUQA-INIZCTEOSA-N -1 3 351.370 2.820 20 5 FFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820774382 607116771 /nfs/dbraw/zinc/11/67/71/607116771.db2.gz BPBMZTSVKPMQDG-BONVTDFDSA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820774382 607116772 /nfs/dbraw/zinc/11/67/72/607116772.db2.gz BPBMZTSVKPMQDG-BONVTDFDSA-N -1 3 372.410 2.803 20 5 FFBDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1[N+](=O)[O-] ZINC000821703302 607241454 /nfs/dbraw/zinc/24/14/54/607241454.db2.gz YOBBTKBGRXNGSC-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1[N+](=O)[O-] ZINC000821703302 607241455 /nfs/dbraw/zinc/24/14/55/607241455.db2.gz YOBBTKBGRXNGSC-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826244938 607834241 /nfs/dbraw/zinc/83/42/41/607834241.db2.gz INXOGRQGNMQQRH-UHFFFAOYSA-N -1 3 364.365 2.676 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000826244938 607834242 /nfs/dbraw/zinc/83/42/42/607834242.db2.gz INXOGRQGNMQQRH-UHFFFAOYSA-N -1 3 364.365 2.676 20 5 FFBDHM Cc1nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000826334586 607847245 /nfs/dbraw/zinc/84/72/45/607847245.db2.gz ASPPVKUHYXIUTA-UHFFFAOYSA-N -1 3 364.369 2.527 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cccc(C)c1[N+](=O)[O-] ZINC000826176370 607862913 /nfs/dbraw/zinc/86/29/13/607862913.db2.gz MBTIAUFDTJAXPN-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cccc(C)c1[N+](=O)[O-] ZINC000826176370 607862914 /nfs/dbraw/zinc/86/29/14/607862914.db2.gz MBTIAUFDTJAXPN-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC)c([N+](=O)[O-])c1 ZINC000825717485 608265821 /nfs/dbraw/zinc/26/58/21/608265821.db2.gz MVTAAFCLDKKSHB-UHFFFAOYSA-N -1 3 355.354 2.925 20 5 FFBDHM CCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC)c([N+](=O)[O-])c1 ZINC000825717485 608265822 /nfs/dbraw/zinc/26/58/22/608265822.db2.gz MVTAAFCLDKKSHB-UHFFFAOYSA-N -1 3 355.354 2.925 20 5 FFBDHM CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(-c2nnn[n-]2)s1 ZINC000824130868 608348250 /nfs/dbraw/zinc/34/82/50/608348250.db2.gz QKJNTCLMXZLZHW-UHFFFAOYSA-N -1 3 373.398 2.781 20 5 FFBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826441296 608810468 /nfs/dbraw/zinc/81/04/68/608810468.db2.gz XSJSMVHMHVDBKP-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826441296 608810471 /nfs/dbraw/zinc/81/04/71/608810471.db2.gz XSJSMVHMHVDBKP-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826269501 609243933 /nfs/dbraw/zinc/24/39/33/609243933.db2.gz OEFWPIOCXIQQPL-TWGQIWQCSA-N -1 3 350.338 2.735 20 5 FFBDHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826269501 609243934 /nfs/dbraw/zinc/24/39/34/609243934.db2.gz OEFWPIOCXIQQPL-TWGQIWQCSA-N -1 3 350.338 2.735 20 5 FFBDHM Cc1ccnc(NCCCCc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826313761 609557752 /nfs/dbraw/zinc/55/77/52/609557752.db2.gz SJBBMVURXKCRGS-UHFFFAOYSA-N -1 3 353.386 2.913 20 5 FFBDHM Cc1ccnc(NCCCCc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826313761 609557754 /nfs/dbraw/zinc/55/77/54/609557754.db2.gz SJBBMVURXKCRGS-UHFFFAOYSA-N -1 3 353.386 2.913 20 5 FFBDHM Cc1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000826271484 609587725 /nfs/dbraw/zinc/58/77/25/609587725.db2.gz TUWUNPLDOSZNKI-JTQLQIEISA-N -1 3 354.374 2.994 20 5 FFBDHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000826271484 609587726 /nfs/dbraw/zinc/58/77/26/609587726.db2.gz TUWUNPLDOSZNKI-JTQLQIEISA-N -1 3 354.374 2.994 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2CCCCC2)c1 ZINC000158078083 728882201 /nfs/dbraw/zinc/88/22/01/728882201.db2.gz OJNXMXGVIQTTBC-UHFFFAOYSA-N -1 3 363.233 2.968 20 5 FFBDHM Cc1ccc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1Br ZINC000865941465 731013567 /nfs/dbraw/zinc/01/35/67/731013567.db2.gz DHKWTBUMAPZUQG-SECBINFHSA-N -1 3 355.192 2.590 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC23CCOCC3)c(Cl)c1 ZINC000867777479 731223978 /nfs/dbraw/zinc/22/39/78/731223978.db2.gz STAVYVORYVIWBG-NSHDSACASA-N -1 3 374.846 2.733 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC2)n1 ZINC000884705587 733552482 /nfs/dbraw/zinc/55/24/82/733552482.db2.gz ZYUZSJATVOHKEL-UHFFFAOYSA-N -1 3 367.768 2.518 20 5 FFBDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742296285 735221697 /nfs/dbraw/zinc/22/16/97/735221697.db2.gz WFBOTKIKEXGJQN-QMMMGPOBSA-N -1 3 363.233 2.682 20 5 FFBDHM CC(C)Cc1nnc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)s1 ZINC000771505141 737731074 /nfs/dbraw/zinc/73/10/74/737731074.db2.gz XPVMDHLFMYYOEU-UHFFFAOYSA-N -1 3 364.412 2.902 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccn2)c(Cl)c1 ZINC000775594570 738104562 /nfs/dbraw/zinc/10/45/62/738104562.db2.gz GLEHHQBMSYWOKV-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC000931313937 739243456 /nfs/dbraw/zinc/24/34/56/739243456.db2.gz SBGFNJWSINESQI-UHFFFAOYSA-N -1 3 365.187 2.677 20 5 FFBDHM O=C(NCc1ncccc1[O-])c1cc(F)cc([N+](=O)[O-])c1Br ZINC000792611741 739686815 /nfs/dbraw/zinc/68/68/15/739686815.db2.gz KNHIIXJJPPQYDX-UHFFFAOYSA-N -1 3 370.134 2.527 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000800052086 740479241 /nfs/dbraw/zinc/47/92/41/740479241.db2.gz ZRGMUAWQZHJQIT-UHFFFAOYSA-N -1 3 352.343 2.778 20 5 FFBDHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F)OCO2 ZINC000800930132 740567738 /nfs/dbraw/zinc/56/77/38/740567738.db2.gz WBJXZPNMNYVHJY-UHFFFAOYSA-N -1 3 354.315 2.572 20 5 FFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826464576 743387398 /nfs/dbraw/zinc/38/73/98/743387398.db2.gz CTIJMKPBADBKKW-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826464576 743387407 /nfs/dbraw/zinc/38/74/07/743387407.db2.gz CTIJMKPBADBKKW-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM CCc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821475837 945703156 /nfs/dbraw/zinc/70/31/56/945703156.db2.gz AWBJGMROIXHMIK-UHFFFAOYSA-N -1 3 370.344 2.753 20 5 FFBDHM CCc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821475837 945703161 /nfs/dbraw/zinc/70/31/61/945703161.db2.gz AWBJGMROIXHMIK-UHFFFAOYSA-N -1 3 370.344 2.753 20 5 FFBDHM CCOC(=O)c1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000914753145 987888713 /nfs/dbraw/zinc/88/87/13/987888713.db2.gz HYPSQMMHXXVWCX-UHFFFAOYSA-N -1 3 355.306 2.867 20 5 FFBDHM CS[C@H]1CCCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001599789648 987985186 /nfs/dbraw/zinc/98/51/86/987985186.db2.gz VVMNNLCBJBHRNY-ZDUSSCGKSA-N -1 3 354.428 2.776 20 5 FFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3OC)n[n-]c21 ZINC000808675665 994214483 /nfs/dbraw/zinc/21/44/83/994214483.db2.gz PBDZXVQAAKTLHZ-UHFFFAOYSA-N -1 3 357.322 2.845 20 5 FFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3OC)[n-]nc21 ZINC000808675665 994214493 /nfs/dbraw/zinc/21/44/93/994214493.db2.gz PBDZXVQAAKTLHZ-UHFFFAOYSA-N -1 3 357.322 2.845 20 5 FFBDHM Cc1cc(F)cc(C(=O)[N-]c2cc3oc(=O)n(C)c3cc2F)c1[N+](=O)[O-] ZINC001129555423 1003698359 /nfs/dbraw/zinc/69/83/59/1003698359.db2.gz DVHFGJYHNBQEQU-UHFFFAOYSA-N -1 3 363.276 2.879 20 5 FFBDHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001191846518 1003980732 /nfs/dbraw/zinc/98/07/32/1003980732.db2.gz AOUGJVGMCSCHOD-JTQLQIEISA-N -1 3 350.462 2.694 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)c1[N+](=O)[O-] ZINC001195446783 1004962007 /nfs/dbraw/zinc/96/20/07/1004962007.db2.gz HATSUUADIQJZQY-UHFFFAOYSA-N -1 3 353.227 2.826 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2CC3(C2)COC(C)(C)C3)c(F)cc1[N+](=O)[O-] ZINC001195726643 1005022719 /nfs/dbraw/zinc/02/27/19/1005022719.db2.gz GUXRELGMJAAMFN-UHFFFAOYSA-N -1 3 372.418 2.668 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@@H]2CCCCO2)c1 ZINC001199818433 1005034459 /nfs/dbraw/zinc/03/44/59/1005034459.db2.gz ANFJHFLFRHLMMF-ZDUSSCGKSA-N -1 3 356.342 2.883 20 5 FFBDHM COc1cc(CNc2ccc3c(c2)CN(C(C)=O)C3)c([N+](=O)[O-])cc1[O-] ZINC001200880901 1005139201 /nfs/dbraw/zinc/13/92/01/1005139201.db2.gz YFLYSIKFDAALND-UHFFFAOYSA-N -1 3 357.366 2.783 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2nc3ccccc3o2)c(F)cc1[N+](=O)[O-] ZINC001190798882 1007788094 /nfs/dbraw/zinc/78/80/94/1007788094.db2.gz URTGHWIVDBMYAC-UHFFFAOYSA-N -1 3 365.342 2.662 20 5 FFBDHM C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001217995927 1032939372 /nfs/dbraw/zinc/93/93/72/1032939372.db2.gz ZPLNITLTBOVDJL-YGRLFVJLSA-N -1 3 371.389 2.830 20 5 FFBDHM COc1cc(CNCCC(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001117052723 1021547370 /nfs/dbraw/zinc/54/73/70/1021547370.db2.gz KKLUISSVHSNGDH-UHFFFAOYSA-N -1 3 360.366 2.747 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000754908085 1023537899 /nfs/dbraw/zinc/53/78/99/1023537899.db2.gz KGUXVIHZWFPDEW-PKNBQFBNSA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000754908085 1023537906 /nfs/dbraw/zinc/53/79/06/1023537906.db2.gz KGUXVIHZWFPDEW-PKNBQFBNSA-N -1 3 350.338 2.817 20 5 FFBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885192 1028696545 /nfs/dbraw/zinc/69/65/45/1028696545.db2.gz HJPIHDOVAAVOEW-UHFFFAOYSA-N -1 3 364.333 2.973 20 5 FFBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885192 1028696549 /nfs/dbraw/zinc/69/65/49/1028696549.db2.gz HJPIHDOVAAVOEW-UHFFFAOYSA-N -1 3 364.333 2.973 20 5 FFBDHM O=c1cc([C@@H]2CCN(c3c(Br)cccc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001163643277 1029003957 /nfs/dbraw/zinc/00/39/57/1029003957.db2.gz RFKYCLIBJXCDHT-MRVPVSSYSA-N -1 3 353.176 2.780 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001157234084 1029514355 /nfs/dbraw/zinc/51/43/55/1029514355.db2.gz MUHOPXZHCKTHMJ-RXMQYKEDSA-N -1 3 363.683 2.876 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001149789162 1031594993 /nfs/dbraw/zinc/59/49/93/1031594993.db2.gz ILVKWEGAMBPOSO-UHFFFAOYSA-N -1 3 362.773 2.941 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228688104 1036257462 /nfs/dbraw/zinc/25/74/62/1036257462.db2.gz DSZIHUBGANQBHQ-HFAKWTLXSA-N -1 3 365.386 2.781 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC001208474034 1038339625 /nfs/dbraw/zinc/33/96/25/1038339625.db2.gz NUNKUEOHVJAFES-VIFPVBQESA-N -1 3 374.415 2.850 20 5 FFBDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001210487989 1039576656 /nfs/dbraw/zinc/57/66/56/1039576656.db2.gz IUXAWQFHKNRMLH-ZDUSSCGKSA-N -1 3 370.452 2.501 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1F ZINC001213308438 1040433412 /nfs/dbraw/zinc/43/34/12/1040433412.db2.gz UPZISFSKXBNEGK-WCQYABFASA-N -1 3 353.375 2.702 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2nc3c(s2)CCCC3)c([N+](=O)[O-])s1 ZINC001213644176 1040754234 /nfs/dbraw/zinc/75/42/34/1040754234.db2.gz RUMGGVLPDLFMHX-UHFFFAOYSA-N -1 3 373.481 2.779 20 5 FFBDHM Cn1c(-c2cc([N+](=O)[O-])c[n-]c2=O)nnc1N1CCC(C(C)(C)C)CC1 ZINC001263630223 1042408323 /nfs/dbraw/zinc/40/83/23/1042408323.db2.gz FEEDMUHUEUTWGI-UHFFFAOYSA-N -1 3 360.418 2.753 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CCC2)c(F)c1 ZINC001309793395 1043528684 /nfs/dbraw/zinc/52/86/84/1043528684.db2.gz ZANOLTLKVACRMD-CQSZACIVSA-N -1 3 358.391 2.504 20 5 FFBDHM Cc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c([O-])c1 ZINC001319722209 1045253163 /nfs/dbraw/zinc/25/31/63/1045253163.db2.gz VXBJZFNCLFTRPE-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC001307152606 1049393647 /nfs/dbraw/zinc/39/36/47/1049393647.db2.gz GSJAAEFSJHLKPB-BDAKNGLRSA-N -1 3 365.777 2.819 20 5 FFBDHM Cn1[n-]c(=O)c2c1CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001301839199 1051000306 /nfs/dbraw/zinc/00/03/06/1051000306.db2.gz YFHBRNGJBRSBGQ-UHFFFAOYSA-N -1 3 371.180 2.539 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC001309195650 1052571849 /nfs/dbraw/zinc/57/18/49/1052571849.db2.gz BLCJFVNNXFOGEX-VIFPVBQESA-N -1 3 364.408 2.639 20 5 FFBDHM COc1cnccc1[C@@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848591287 1060323574 /nfs/dbraw/zinc/32/35/74/1060323574.db2.gz AHOQQFHJHRTKLV-SNVBAGLBSA-N -1 3 367.308 2.847 20 5 FFBDHM COc1cnccc1[C@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592011 1060324758 /nfs/dbraw/zinc/32/47/58/1060324758.db2.gz FTEVWKGBDFKLKB-JTQLQIEISA-N -1 3 367.308 2.847 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOC12CCCC2 ZINC001475765763 1061261130 /nfs/dbraw/zinc/26/11/30/1061261130.db2.gz DSGZPEITMDYHHS-ZDUSSCGKSA-N -1 3 360.819 2.628 20 5 FFBDHM CNC(=O)c1ccc(Cl)c([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC001527085335 1061384512 /nfs/dbraw/zinc/38/45/12/1061384512.db2.gz QBROERCSFRTUKK-UHFFFAOYSA-N -1 3 351.721 2.999 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2cnccn2n1 ZINC001462203995 1061536299 /nfs/dbraw/zinc/53/62/99/1061536299.db2.gz WHIHAXAPMDYSDF-UHFFFAOYSA-N -1 3 358.383 2.787 20 5 FFBDHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C1CC1 ZINC001463886758 1062316178 /nfs/dbraw/zinc/31/61/78/1062316178.db2.gz ZDTJGOPXVJUXCG-MEBBXXQBSA-N -1 3 360.407 2.524 20 5 FFBDHM COC(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001464308328 1062537806 /nfs/dbraw/zinc/53/78/06/1062537806.db2.gz OMHPWBOHYBHGDS-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@]12CCCO2 ZINC001464387671 1062584576 /nfs/dbraw/zinc/58/45/76/1062584576.db2.gz VJBXIHHHUPJXPB-KGLIPLIRSA-N -1 3 360.819 2.628 20 5 FFBDHM Cc1oc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1S(C)(=O)=O ZINC001436229634 1062672512 /nfs/dbraw/zinc/67/25/12/1062672512.db2.gz YECFARUNSHTWDD-UHFFFAOYSA-N -1 3 358.759 2.805 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1=CCOCC1 ZINC001464818897 1062846863 /nfs/dbraw/zinc/84/68/63/1062846863.db2.gz JPROYUBUCZWVOW-UHFFFAOYSA-N -1 3 374.846 2.899 20 5 FFBDHM CCNc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC001525059804 1063125059 /nfs/dbraw/zinc/12/50/59/1063125059.db2.gz LRCVXDRQLZSCGS-UHFFFAOYSA-N -1 3 371.332 2.598 20 5 FFBDHM CCNc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC001525059804 1063125086 /nfs/dbraw/zinc/12/50/86/1063125086.db2.gz LRCVXDRQLZSCGS-UHFFFAOYSA-N -1 3 371.332 2.598 20 5 FFBDHM COC(=O)CCc1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001533512326 1063317985 /nfs/dbraw/zinc/31/79/85/1063317985.db2.gz JKDMFULWKHCZQG-UHFFFAOYSA-N -1 3 353.331 2.548 20 5 FFBDHM CC1(C)CC[C@@H](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])OC1 ZINC001575666318 1078162241 /nfs/dbraw/zinc/16/22/41/1078162241.db2.gz VRCFWTPWJBAGJR-JTQLQIEISA-N -1 3 364.381 2.921 20 5 FFBDHM CC1(C)CC[C@@H](CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])OC1 ZINC001575666318 1078162247 /nfs/dbraw/zinc/16/22/47/1078162247.db2.gz VRCFWTPWJBAGJR-JTQLQIEISA-N -1 3 364.381 2.921 20 5 FFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cnn1-c1cccc(C)c1 ZINC001472580846 1065101611 /nfs/dbraw/zinc/10/16/11/1065101611.db2.gz CNMLCWRXDGBOLM-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM O=c1[n-]ccc(NCCNc2cccc(Br)c2)c1[N+](=O)[O-] ZINC001472741210 1065137764 /nfs/dbraw/zinc/13/77/64/1065137764.db2.gz FBHKCCWQSZVUCH-UHFFFAOYSA-N -1 3 353.176 2.982 20 5 FFBDHM Cc1cc(N2CCC=C(c3ccccn3)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580964683 1078899624 /nfs/dbraw/zinc/89/96/24/1078899624.db2.gz SSQWUTIBPYEXCJ-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1cc(N2CCC=C(c3ccccn3)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580964683 1078899628 /nfs/dbraw/zinc/89/96/28/1078899628.db2.gz SSQWUTIBPYEXCJ-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC001581046438 1078911970 /nfs/dbraw/zinc/91/19/70/1078911970.db2.gz UMKXQNRPEYEKNQ-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC001581046438 1078911972 /nfs/dbraw/zinc/91/19/72/1078911972.db2.gz UMKXQNRPEYEKNQ-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1cc(SCCOc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)cn1 ZINC001581044600 1078912075 /nfs/dbraw/zinc/91/20/75/1078912075.db2.gz HJODPTDZZCZSEV-UHFFFAOYSA-N -1 3 358.383 2.649 20 5 FFBDHM Cc1cc(SCCOc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)cn1 ZINC001581044600 1078912077 /nfs/dbraw/zinc/91/20/77/1078912077.db2.gz HJODPTDZZCZSEV-UHFFFAOYSA-N -1 3 358.383 2.649 20 5 FFBDHM Cc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001581258532 1078948645 /nfs/dbraw/zinc/94/86/45/1078948645.db2.gz PJNPWAOUCONBJU-NSHDSACASA-N -1 3 353.386 2.709 20 5 FFBDHM Cc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001581258532 1078948654 /nfs/dbraw/zinc/94/86/54/1078948654.db2.gz PJNPWAOUCONBJU-NSHDSACASA-N -1 3 353.386 2.709 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCC[C@@H]1CC1(Cl)Cl ZINC001582803339 1079108440 /nfs/dbraw/zinc/10/84/40/1079108440.db2.gz CRXNCYLYDVVVCT-ZCFIWIBFSA-N -1 3 361.164 2.910 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCC[C@@H]1CC1(Cl)Cl ZINC001582803339 1079108441 /nfs/dbraw/zinc/10/84/41/1079108441.db2.gz CRXNCYLYDVVVCT-ZCFIWIBFSA-N -1 3 361.164 2.910 20 5 FFBDHM O=[N+]([O-])c1c(Sc2cccc(F)c2-c2nnn[n-]2)nc2ccccn21 ZINC001582801729 1079108586 /nfs/dbraw/zinc/10/85/86/1079108586.db2.gz DCSWPRVAMQKZPY-UHFFFAOYSA-N -1 3 357.330 2.713 20 5 FFBDHM O=C(Nc1n[nH]cc1-c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001585038912 1079417999 /nfs/dbraw/zinc/41/79/99/1079417999.db2.gz IGAVUHBYULWFIH-UHFFFAOYSA-N -1 3 359.729 2.991 20 5 FFBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ccc([N+](=O)[O-])nc3)c2)[n-]1 ZINC001559180108 1076132927 /nfs/dbraw/zinc/13/29/27/1076132927.db2.gz UILBVGQLXHTMGJ-UHFFFAOYSA-N -1 3 368.353 2.564 20 5 FFBDHM CCOC(=O)c1nc(-c2cccc(CNc3ccc([N+](=O)[O-])nc3)c2)n[n-]1 ZINC001559180108 1076132929 /nfs/dbraw/zinc/13/29/29/1076132929.db2.gz UILBVGQLXHTMGJ-UHFFFAOYSA-N -1 3 368.353 2.564 20 5 FFBDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC001559223304 1076136549 /nfs/dbraw/zinc/13/65/49/1076136549.db2.gz GCNGTUODAOKGEL-BDAKNGLRSA-N -1 3 365.777 2.819 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])Cc1ccccc1 ZINC001561582765 1076394795 /nfs/dbraw/zinc/39/47/95/1076394795.db2.gz LGGISUBTMJPPSE-ZDUSSCGKSA-N -1 3 370.452 2.501 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC23CCCCC3)c(F)c1 ZINC001561986528 1076460702 /nfs/dbraw/zinc/46/07/02/1076460702.db2.gz ADNYSBOGOFTFNO-CQSZACIVSA-N -1 3 358.391 2.504 20 5 FFBDHM COc1cccc([O-])c1C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001566060124 1076883802 /nfs/dbraw/zinc/88/38/02/1076883802.db2.gz OJIJXNUWVIMODD-UHFFFAOYSA-N -1 3 372.377 2.993 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[n-]1 ZINC001586606803 1079655867 /nfs/dbraw/zinc/65/58/67/1079655867.db2.gz DRAWSAOJOSCURV-UHFFFAOYSA-N -1 3 358.354 2.555 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)c[n-]1 ZINC001586606803 1079655870 /nfs/dbraw/zinc/65/58/70/1079655870.db2.gz DRAWSAOJOSCURV-UHFFFAOYSA-N -1 3 358.354 2.555 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001588902278 1080249763 /nfs/dbraw/zinc/24/97/63/1080249763.db2.gz RAIODTGIYUPTAW-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001588902278 1080249768 /nfs/dbraw/zinc/24/97/68/1080249768.db2.gz RAIODTGIYUPTAW-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589002715 1080300881 /nfs/dbraw/zinc/30/08/81/1080300881.db2.gz QNTHZFYIEVQVAA-WDBUWWRISA-N -1 3 371.397 2.625 20 5 FFBDHM CC(C)(C)c1coc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001589233357 1080436736 /nfs/dbraw/zinc/43/67/36/1080436736.db2.gz CYNDKTPZXNBRIM-UHFFFAOYSA-N -1 3 361.337 2.812 20 5 FFBDHM CC(C)(C)c1coc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001589233357 1080436739 /nfs/dbraw/zinc/43/67/39/1080436739.db2.gz CYNDKTPZXNBRIM-UHFFFAOYSA-N -1 3 361.337 2.812 20 5 FFBDHM CC(C)(C)c1csc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001589235537 1080437532 /nfs/dbraw/zinc/43/75/32/1080437532.db2.gz GJGQAQRWWJLGHH-UHFFFAOYSA-N -1 3 366.447 3.000 20 5 FFBDHM CC(C)(C)c1csc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001589235537 1080437535 /nfs/dbraw/zinc/43/75/35/1080437535.db2.gz GJGQAQRWWJLGHH-UHFFFAOYSA-N -1 3 366.447 3.000 20 5 FFBDHM CC(C)(O)c1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001589339150 1080489006 /nfs/dbraw/zinc/48/90/06/1080489006.db2.gz SAQNJZMIYMLYDG-UHFFFAOYSA-N -1 3 354.370 2.614 20 5 FFBDHM CC(C)(O)c1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001589339150 1080489010 /nfs/dbraw/zinc/48/90/10/1080489010.db2.gz SAQNJZMIYMLYDG-UHFFFAOYSA-N -1 3 354.370 2.614 20 5 FFBDHM CC(C)CCO[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589606897 1080632696 /nfs/dbraw/zinc/63/26/96/1080632696.db2.gz CYXXCQQROHWKPP-LLVKDONJSA-N -1 3 364.381 2.555 20 5 FFBDHM CC(C)CCO[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589606897 1080632698 /nfs/dbraw/zinc/63/26/98/1080632698.db2.gz CYXXCQQROHWKPP-LLVKDONJSA-N -1 3 364.381 2.555 20 5 FFBDHM 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C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)N(C)C ZINC000192865742 509677876 /nfs/dbraw/zinc/67/78/76/509677876.db2.gz FYYQEGNUTUDYII-XHDPSFHLSA-N -1 3 369.468 2.626 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000192928815 509702682 /nfs/dbraw/zinc/70/26/82/509702682.db2.gz AYIOGBVHKRZJDW-OAHLLOKOSA-N -1 3 370.814 2.914 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)c(F)c1 ZINC000193031452 509745007 /nfs/dbraw/zinc/74/50/07/509745007.db2.gz HUNVDLXLGHEIPX-UHFFFAOYSA-N -1 3 361.354 2.761 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000173813219 509794299 /nfs/dbraw/zinc/79/42/99/509794299.db2.gz KGNGNOVJUYYIAW-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000173982863 509887023 /nfs/dbraw/zinc/88/70/23/509887023.db2.gz CDICGNQCVGDORY-UHFFFAOYSA-N -1 3 363.395 2.835 20 5 FFBDHM Nc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193391390 509894717 /nfs/dbraw/zinc/89/47/17/509894717.db2.gz LTSWXXNHHUFCAW-LBPRGKRZSA-N -1 3 353.425 2.594 20 5 FFBDHM Cc1ccc([C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000187045344 510024912 /nfs/dbraw/zinc/02/49/12/510024912.db2.gz HCCNITKWQDWMTK-KRWDZBQOSA-N -1 3 370.409 2.571 20 5 FFBDHM Cc1ccc([C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000187045330 510025097 /nfs/dbraw/zinc/02/50/97/510025097.db2.gz HCCNITKWQDWMTK-QGZVFWFLSA-N -1 3 370.409 2.571 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)c1 ZINC000184274034 510232095 /nfs/dbraw/zinc/23/20/95/510232095.db2.gz GZENVBRPRBJNNO-JTQLQIEISA-N -1 3 374.802 2.552 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000184557361 510387390 /nfs/dbraw/zinc/38/73/90/510387390.db2.gz MCKBVVXFOFRXTM-CQSZACIVSA-N -1 3 355.441 2.796 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(OCCN(C)C)c1 ZINC000184803598 510522264 /nfs/dbraw/zinc/52/22/64/510522264.db2.gz ASGLOYKCDNHHRB-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000188299194 510695997 /nfs/dbraw/zinc/69/59/97/510695997.db2.gz UURHQQANDJRYEM-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM Cc1cc(Cn2nnc(C(=O)[N-]c3cc([N+](=O)[O-])c(C)cc3F)c2C)on1 ZINC000297909336 511106352 /nfs/dbraw/zinc/10/63/52/511106352.db2.gz WWOABRYHUSYCQE-UHFFFAOYSA-N -1 3 374.332 2.539 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncc(C(C)(C)O)s1 ZINC000291944064 511401195 /nfs/dbraw/zinc/40/11/95/511401195.db2.gz PVPXWACXOMYZRI-UHFFFAOYSA-N -1 3 351.384 2.930 20 5 FFBDHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000327536215 511877511 /nfs/dbraw/zinc/87/75/11/511877511.db2.gz PSFIRMCKNVRXRW-LBPRGKRZSA-N -1 3 372.443 2.876 20 5 FFBDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000392634243 512927236 /nfs/dbraw/zinc/92/72/36/512927236.db2.gz BCGHYYLCXGJNGP-VXGBXAGGSA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397997925 512952154 /nfs/dbraw/zinc/95/21/54/512952154.db2.gz CQYDTVZLVTURHX-JSGCOSHPSA-N -1 3 356.382 2.763 20 5 FFBDHM O=C(Nc1ccc(F)c(Br)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440485904 513331917 /nfs/dbraw/zinc/33/19/17/513331917.db2.gz LWGMMTIWCUIDOL-UHFFFAOYSA-N -1 3 356.107 2.849 20 5 FFBDHM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000447155206 513408388 /nfs/dbraw/zinc/40/83/88/513408388.db2.gz LIVPWDIJYFBAMV-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435593824 513628842 /nfs/dbraw/zinc/62/88/42/513628842.db2.gz SWXMUMBZWXMRKR-HDJSIYSDSA-N -1 3 362.407 2.828 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000416454206 513780090 /nfs/dbraw/zinc/78/00/90/513780090.db2.gz HXLUBLFSJSQANE-CYBMUJFWSA-N -1 3 368.411 2.861 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)cc1C ZINC000416529616 513819136 /nfs/dbraw/zinc/81/91/36/513819136.db2.gz PSDRYQTUSPNOME-NSHDSACASA-N -1 3 353.375 2.785 20 5 FFBDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000416606275 513864767 /nfs/dbraw/zinc/86/47/67/513864767.db2.gz WYLCHDCYCCLTAN-XPTSAGLGSA-N -1 3 362.835 2.730 20 5 FFBDHM C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccccc1 ZINC000436752837 513966033 /nfs/dbraw/zinc/96/60/33/513966033.db2.gz YSXNXVVTANUJFX-DYVFJYSZSA-N -1 3 355.394 2.693 20 5 FFBDHM COc1cc(C[NH2+]CC[C@@H](Cc2ccccc2)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000426659392 514008489 /nfs/dbraw/zinc/00/84/89/514008489.db2.gz FGENVOHILBDMRO-AWEZNQCLSA-N -1 3 374.393 2.732 20 5 FFBDHM COc1ccc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c([O-])c1 ZINC000436888537 514020960 /nfs/dbraw/zinc/02/09/60/514020960.db2.gz NPNXKWIMWBJKTN-UHFFFAOYSA-N -1 3 359.382 2.849 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc(C)c(C)c2C(=O)OC)n1 ZINC000427112076 514120362 /nfs/dbraw/zinc/12/03/62/514120362.db2.gz YTVKIWZMKGUXQY-UHFFFAOYSA-N -1 3 352.372 2.528 20 5 FFBDHM CCSc1nccnc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000437381376 514150834 /nfs/dbraw/zinc/15/08/34/514150834.db2.gz BAUWMMKTWACSSJ-UHFFFAOYSA-N -1 3 370.394 2.561 20 5 FFBDHM CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)[C@H]1C[C@H]1C ZINC000452159984 514222739 /nfs/dbraw/zinc/22/27/39/514222739.db2.gz SZWDCWDQVQXFAY-HWPZZCPQSA-N -1 3 370.365 2.709 20 5 FFBDHM C[C@@H]1C(=O)CC[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1(C)C ZINC000444636651 514280464 /nfs/dbraw/zinc/28/04/64/514280464.db2.gz ODUDCQMTFKCKAA-RISCZKNCSA-N -1 3 370.409 2.987 20 5 FFBDHM COC(=O)[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000449756249 514338990 /nfs/dbraw/zinc/33/89/90/514338990.db2.gz PFAPLIYTRKFGNX-SJORKVTESA-N -1 3 356.378 2.689 20 5 FFBDHM COc1ccc(OCCN2CCCC[C@@H]2CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000424268243 514440838 /nfs/dbraw/zinc/44/08/38/514440838.db2.gz ZRLDDQGGIVYHDN-CYBMUJFWSA-N -1 3 352.387 2.702 20 5 FFBDHM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000445753275 514516605 /nfs/dbraw/zinc/51/66/05/514516605.db2.gz SIBHRMJIFAFWNH-UHFFFAOYSA-N -1 3 369.468 2.979 20 5 FFBDHM CCOc1ccc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2c1 ZINC000484273853 514613522 /nfs/dbraw/zinc/61/35/22/514613522.db2.gz FZTYKZBEZBFATL-UHFFFAOYSA-N -1 3 360.351 2.956 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c(Cl)c1 ZINC000466537492 514682434 /nfs/dbraw/zinc/68/24/34/514682434.db2.gz ZDRSXENQAMMZJA-GFCCVEGCSA-N -1 3 372.761 2.799 20 5 FFBDHM CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc(OC)cc1OC ZINC000471258352 514816005 /nfs/dbraw/zinc/81/60/05/514816005.db2.gz JMZNEGJBIRVUCL-UHFFFAOYSA-N -1 3 364.310 2.634 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000467085186 514892599 /nfs/dbraw/zinc/89/25/99/514892599.db2.gz LDNLMWALWSEINK-UHFFFAOYSA-N -1 3 374.484 2.982 20 5 FFBDHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000467134113 514912809 /nfs/dbraw/zinc/91/28/09/514912809.db2.gz RKJRGIUCNSRXGX-HNNXBMFYSA-N -1 3 370.427 2.613 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000476209381 514948827 /nfs/dbraw/zinc/94/88/27/514948827.db2.gz ZXHHLRVFLNKSMI-UHFFFAOYSA-N -1 3 362.835 2.876 20 5 FFBDHM Cc1c2ccccc2n(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000480421839 514951869 /nfs/dbraw/zinc/95/18/69/514951869.db2.gz ZVHMVXKQBOPMAW-UHFFFAOYSA-N -1 3 365.436 2.935 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000467426505 515004003 /nfs/dbraw/zinc/00/40/03/515004003.db2.gz WTGYXBJZMDBUFL-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000456184845 515007021 /nfs/dbraw/zinc/00/70/21/515007021.db2.gz KABAJKFHYYIMRJ-UHFFFAOYSA-N -1 3 367.383 2.664 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480699815 515048513 /nfs/dbraw/zinc/04/85/13/515048513.db2.gz PJLIRYHJBRACAJ-DOMZBBRYSA-N -1 3 369.487 2.610 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000462492263 515082682 /nfs/dbraw/zinc/08/26/82/515082682.db2.gz QAQRKGXCQBGUDS-UKRRQHHQSA-N -1 3 362.407 2.513 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462599565 515146163 /nfs/dbraw/zinc/14/61/63/515146163.db2.gz BFIGXHJBVLVUSR-ZDUSSCGKSA-N -1 3 366.443 2.683 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000503854622 515152761 /nfs/dbraw/zinc/15/27/61/515152761.db2.gz KEPXUZAEBCDTLX-ZDUSSCGKSA-N -1 3 354.384 2.552 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN(C)c2ccccc2)c1C ZINC000480962197 515153537 /nfs/dbraw/zinc/15/35/37/515153537.db2.gz WUNPJDXKQIUKHO-UHFFFAOYSA-N -1 3 363.439 2.626 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000467944164 515173736 /nfs/dbraw/zinc/17/37/36/515173736.db2.gz UGFHODONZUNWHB-UHFFFAOYSA-N -1 3 374.321 2.691 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C12CCC2 ZINC000481062711 515192057 /nfs/dbraw/zinc/19/20/57/515192057.db2.gz RPNNVHQUVBFPDY-ZIAGYGMSSA-N -1 3 368.455 2.838 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCc1ccc(C)o1 ZINC000462708491 515203587 /nfs/dbraw/zinc/20/35/87/515203587.db2.gz ZKIALTXAIUVKQX-LLVKDONJSA-N -1 3 368.411 2.804 20 5 FFBDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000509570935 515236346 /nfs/dbraw/zinc/23/63/46/515236346.db2.gz KQGGGOMVKPTZOY-UHFFFAOYSA-N -1 3 356.400 2.934 20 5 FFBDHM Cc1nc(C)c(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c(=O)[n-]1 ZINC000504267789 515256843 /nfs/dbraw/zinc/25/68/43/515256843.db2.gz PCWVJIONMGDHGP-JTQLQIEISA-N -1 3 356.382 2.618 20 5 FFBDHM Cc1ccc(OCCC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000509731751 515305871 /nfs/dbraw/zinc/30/58/71/515305871.db2.gz XAZBVRUEJJXXRM-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1c([O-])nnn1-c1ccccc1 ZINC000509793260 515326018 /nfs/dbraw/zinc/32/60/18/515326018.db2.gz HOKXHKSPLKXNER-UHFFFAOYSA-N -1 3 353.382 2.556 20 5 FFBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477154214 515350362 /nfs/dbraw/zinc/35/03/62/515350362.db2.gz ZIFYEYYMIVJLTF-NEPJUHHUSA-N -1 3 370.427 2.613 20 5 FFBDHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477169838 515356222 /nfs/dbraw/zinc/35/62/22/515356222.db2.gz WTRCTIHPVNCQPI-LBPRGKRZSA-N -1 3 372.443 2.861 20 5 FFBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000486650418 515580127 /nfs/dbraw/zinc/58/01/27/515580127.db2.gz YTRFRFIRDJWQGT-ONGXEEELSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]1 ZINC000486650418 515580134 /nfs/dbraw/zinc/58/01/34/515580134.db2.gz YTRFRFIRDJWQGT-ONGXEEELSA-N -1 3 367.431 2.574 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000463864829 515647179 /nfs/dbraw/zinc/64/71/79/515647179.db2.gz KEIMIMXTOURGIJ-GJZGRUSLSA-N -1 3 356.444 2.774 20 5 FFBDHM C[C@H]1CCCN(c2ccc(C(=O)NCc3ncccc3[O-])cc2[N+](=O)[O-])C1 ZINC000473633491 515694939 /nfs/dbraw/zinc/69/49/39/515694939.db2.gz JGKLTJKJLZVACP-ZDUSSCGKSA-N -1 3 370.409 2.862 20 5 FFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1F ZINC000478088957 515696785 /nfs/dbraw/zinc/69/67/85/515696785.db2.gz MRQHRYFCNODLMG-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM C[C@H]1[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000493998982 515709732 /nfs/dbraw/zinc/70/97/32/515709732.db2.gz GWLRKXLMLPSGNS-UGSOOPFHSA-N -1 3 355.394 2.693 20 5 FFBDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)C1 ZINC000469244608 515739067 /nfs/dbraw/zinc/73/90/67/515739067.db2.gz JJBVKGUJXATRKR-NWDGAFQWSA-N -1 3 370.427 2.629 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)ccc1[N+](=O)[O-] ZINC000511356541 515874947 /nfs/dbraw/zinc/87/49/47/515874947.db2.gz AMCQLQIUGHNVAM-UHFFFAOYSA-N -1 3 368.333 2.614 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000478786767 515962935 /nfs/dbraw/zinc/96/29/35/515962935.db2.gz XYUVMHAVVSMSNI-WCQYABFASA-N -1 3 362.473 2.837 20 5 FFBDHM O=C(Nc1nc2c(ccc(F)c2F)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000501887957 516256285 /nfs/dbraw/zinc/25/62/85/516256285.db2.gz KLAXSIFSIWOVOH-UHFFFAOYSA-N -1 3 352.278 2.836 20 5 FFBDHM COC(=O)c1sc2[n-]c(Cc3ccc([N+](=O)[O-])cc3C)nc(=O)c2c1C ZINC000507693276 516284789 /nfs/dbraw/zinc/28/47/89/516284789.db2.gz PYPFPBKRGZTXEN-UHFFFAOYSA-N -1 3 373.390 2.887 20 5 FFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000539970647 516381055 /nfs/dbraw/zinc/38/10/55/516381055.db2.gz HOHHZSLLLKSIBP-CQSZACIVSA-N -1 3 356.382 2.546 20 5 FFBDHM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2ncn(C)n2)cc1 ZINC000558350951 516699840 /nfs/dbraw/zinc/69/98/40/516699840.db2.gz BYKWGOBLXPUPMN-UHFFFAOYSA-N -1 3 369.337 2.777 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2(C3CC3)CC2)c1 ZINC000532367250 516936764 /nfs/dbraw/zinc/93/67/64/516936764.db2.gz IVBQEKLRWHLFQY-UHFFFAOYSA-N -1 3 361.217 2.578 20 5 FFBDHM Cc1ccccc1-c1cc(=NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[nH][n-]1 ZINC000537121975 517045767 /nfs/dbraw/zinc/04/57/67/517045767.db2.gz WJSCUZVUTLYRBR-UHFFFAOYSA-N -1 3 366.333 2.696 20 5 FFBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000552716215 517362083 /nfs/dbraw/zinc/36/20/83/517362083.db2.gz DLGJGZFTXDPGMG-UHFFFAOYSA-N -1 3 351.362 2.751 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000515819009 517486119 /nfs/dbraw/zinc/48/61/19/517486119.db2.gz WGRXIFNYKISKOY-UHFFFAOYSA-N -1 3 359.773 2.682 20 5 FFBDHM CC(C)c1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc(=O)[nH]1 ZINC000538273498 517534599 /nfs/dbraw/zinc/53/45/99/517534599.db2.gz ILFBLLAMFJBMAI-UHFFFAOYSA-N -1 3 367.365 2.883 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000556646557 517541192 /nfs/dbraw/zinc/54/11/92/517541192.db2.gz VRAUSIOKVDUMEW-UHFFFAOYSA-N -1 3 366.381 2.615 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000556646557 517541196 /nfs/dbraw/zinc/54/11/96/517541196.db2.gz VRAUSIOKVDUMEW-UHFFFAOYSA-N -1 3 366.381 2.615 20 5 FFBDHM CCOC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCCC1 ZINC000549520735 517597810 /nfs/dbraw/zinc/59/78/10/517597810.db2.gz ZETFKPSLPUUQBG-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000538759167 517766624 /nfs/dbraw/zinc/76/66/24/517766624.db2.gz IHOPNAVOIKRCSQ-UHFFFAOYSA-N -1 3 356.425 2.576 20 5 FFBDHM COc1cc(CNCc2ccccc2Cn2ccnc2)c([N+](=O)[O-])cc1[O-] ZINC000553575965 517793779 /nfs/dbraw/zinc/79/37/79/517793779.db2.gz RZMJKGRSXIWULG-UHFFFAOYSA-N -1 3 368.393 2.844 20 5 FFBDHM COc1cc([N+](=O)[O-])c(C(=O)N=c2cc3ccccn3[n-]2)cc1SC ZINC000567099040 518349664 /nfs/dbraw/zinc/34/96/64/518349664.db2.gz LSLPSZZYBGLYPN-UHFFFAOYSA-N -1 3 358.379 2.647 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2F)[C@H](C)O)cc1[N+](=O)[O-] ZINC000582364630 518718472 /nfs/dbraw/zinc/71/84/72/518718472.db2.gz MZFRGLZXRKJRCB-RTHLEPHNSA-N -1 3 374.415 2.504 20 5 FFBDHM Cc1cc(N2CCN(CCc3ccccc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565038149 518756013 /nfs/dbraw/zinc/75/60/13/518756013.db2.gz MLICGZXUAWJAJO-UHFFFAOYSA-N -1 3 369.421 2.966 20 5 FFBDHM Cc1cc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(F)cc1Br ZINC000574436627 519155931 /nfs/dbraw/zinc/15/59/31/519155931.db2.gz PHDJCIDFIKFURO-UHFFFAOYSA-N -1 3 357.139 2.791 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC000590558753 519265757 /nfs/dbraw/zinc/26/57/57/519265757.db2.gz TTYGDWKPTWYUAX-UHFFFAOYSA-N -1 3 356.338 2.893 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000590764536 519357842 /nfs/dbraw/zinc/35/78/42/519357842.db2.gz LOPZBHYQNQVBIA-UHFFFAOYSA-N -1 3 364.370 2.732 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594472818 519982838 /nfs/dbraw/zinc/98/28/38/519982838.db2.gz GIGLGLTYKDWIAC-CABCVRRESA-N -1 3 368.455 2.838 20 5 FFBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC=CC1 ZINC000594473050 519983357 /nfs/dbraw/zinc/98/33/57/519983357.db2.gz JANNVIHJXCIZOD-UHFFFAOYSA-N -1 3 361.217 2.744 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594483199 519991902 /nfs/dbraw/zinc/99/19/02/519991902.db2.gz CVLWAUGWVTYTPD-KGLIPLIRSA-N -1 3 373.862 2.543 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)c1C ZINC000594484041 519993308 /nfs/dbraw/zinc/99/33/08/519993308.db2.gz QERPHDQMDQERJK-GJZGRUSLSA-N -1 3 367.471 2.507 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@H]12 ZINC000594484874 519994111 /nfs/dbraw/zinc/99/41/11/519994111.db2.gz WLDZUALZSZYCNI-QWHCGFSZSA-N -1 3 373.862 2.543 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594487223 519997242 /nfs/dbraw/zinc/99/72/42/519997242.db2.gz LTVWORZWJJAFRT-OLZOCXBDSA-N -1 3 362.835 2.874 20 5 FFBDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594802611 520166326 /nfs/dbraw/zinc/16/63/26/520166326.db2.gz YMESVZWDYILFIQ-AWEZNQCLSA-N -1 3 356.444 2.695 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)O)c1[N+](=O)[O-] ZINC000595406974 520449823 /nfs/dbraw/zinc/44/98/23/520449823.db2.gz LSCGYJVHIWEALQ-HIFRSBDPSA-N -1 3 364.423 2.612 20 5 FFBDHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000600801502 520477542 /nfs/dbraw/zinc/47/75/42/520477542.db2.gz QSIXIQLVFJOCPI-LRDDRELGSA-N -1 3 358.398 2.538 20 5 FFBDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000598195054 520486589 /nfs/dbraw/zinc/48/65/89/520486589.db2.gz KBGIEYZMUBZEMJ-KRWDZBQOSA-N -1 3 369.421 2.689 20 5 FFBDHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613469669 520520552 /nfs/dbraw/zinc/52/05/52/520520552.db2.gz FWUKOGYZHPHESI-UHFFFAOYSA-N -1 3 356.425 2.760 20 5 FFBDHM CCSc1nnc([N-]C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)s1 ZINC000610168550 520567453 /nfs/dbraw/zinc/56/74/53/520567453.db2.gz MXEWUCXXJBPAAW-UHFFFAOYSA-N -1 3 370.412 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000618068363 520864193 /nfs/dbraw/zinc/86/41/93/520864193.db2.gz WMIVEQNUCOBRIS-CYBMUJFWSA-N -1 3 373.862 2.543 20 5 FFBDHM CCOc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])nc1C ZINC000596054945 520882380 /nfs/dbraw/zinc/88/23/80/520882380.db2.gz ZZFIBWWCHHRLQQ-UHFFFAOYSA-N -1 3 365.411 2.681 20 5 FFBDHM COCCCn1ccc([N-]c2c(Br)cccc2[N+](=O)[O-])n1 ZINC000596137335 520932517 /nfs/dbraw/zinc/93/25/17/520932517.db2.gz RURRTRHSHAUMGP-UHFFFAOYSA-N -1 3 355.192 2.756 20 5 FFBDHM O=C(c1ccccc1)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596135585 520932882 /nfs/dbraw/zinc/93/28/82/520932882.db2.gz WVHHYQBPQZINBX-UHFFFAOYSA-N -1 3 356.382 2.660 20 5 FFBDHM O=c1[n-]ccc(N2CC=C(c3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-] ZINC000596182928 520957343 /nfs/dbraw/zinc/95/73/43/520957343.db2.gz UUAAZTZQKNTACM-UHFFFAOYSA-N -1 3 355.350 2.760 20 5 FFBDHM COc1cc(CNC[C@@]2(C)COc3ccccc3O2)c([N+](=O)[O-])cc1[O-] ZINC000598985357 520960596 /nfs/dbraw/zinc/96/05/96/520960596.db2.gz OTFPGSMWFSDJLO-SFHVURJKSA-N -1 3 360.366 2.629 20 5 FFBDHM CCN(CC)C(=O)CCC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596190777 520960961 /nfs/dbraw/zinc/96/09/61/520960961.db2.gz YSCMRYVFGSCWBO-UHFFFAOYSA-N -1 3 350.419 2.560 20 5 FFBDHM O=c1[n-]ccc(NC[C@H](NCc2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000596243447 520992282 /nfs/dbraw/zinc/99/22/82/520992282.db2.gz GBGWKVJJVFXIFO-LBPRGKRZSA-N -1 3 356.304 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)nc1 ZINC000593537939 521061323 /nfs/dbraw/zinc/06/13/23/521061323.db2.gz HOHUDOXUEFZMEB-UHFFFAOYSA-N -1 3 365.386 2.529 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CNc3ccccc3C2)c1C ZINC000593729560 521180429 /nfs/dbraw/zinc/18/04/29/521180429.db2.gz DRSPFRPMRQSXBG-CQSZACIVSA-N -1 3 361.423 2.527 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)C2(C)CCCC2)c1C ZINC000599472729 521245889 /nfs/dbraw/zinc/24/58/89/521245889.db2.gz NTPAKOAGVYOYQE-UHFFFAOYSA-N -1 3 354.428 2.639 20 5 FFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(=O)[n-]c(C2CC2)n1 ZINC000594337739 521565466 /nfs/dbraw/zinc/56/54/66/521565466.db2.gz JNYZQNPGYVGZQJ-UHFFFAOYSA-N -1 3 362.773 2.594 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000619486992 521594162 /nfs/dbraw/zinc/59/41/62/521594162.db2.gz QNMZXUAKMXMCEP-WBVHZDCISA-N -1 3 362.407 2.612 20 5 FFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489106 521595237 /nfs/dbraw/zinc/59/52/37/521595237.db2.gz DZQMWXKXUSVUCE-PWSUYJOCSA-N -1 3 360.457 2.556 20 5 FFBDHM O=C(Cc1cn2ccsc2n1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523162536 562209222 /nfs/dbraw/zinc/20/92/22/562209222.db2.gz GILAXSZLRJOEFK-UHFFFAOYSA-N -1 3 368.378 2.875 20 5 FFBDHM COCc1nc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cs1 ZINC000523551166 562215131 /nfs/dbraw/zinc/21/51/31/562215131.db2.gz IXOWZEAHHVSLBP-UHFFFAOYSA-N -1 3 359.367 2.840 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000473852478 561059101 /nfs/dbraw/zinc/05/91/01/561059101.db2.gz BLFIGGVSFQDNMG-OAHLLOKOSA-N -1 3 368.353 2.607 20 5 FFBDHM O=C(Cn1cnc2c1CCCC2)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000540886388 562595772 /nfs/dbraw/zinc/59/57/72/562595772.db2.gz NJDMJFCNXANEJK-UHFFFAOYSA-N -1 3 366.381 2.699 20 5 FFBDHM O=[N+]([O-])c1ccc(Nc2ccc(O[C@H]3CCOC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738368958 598857233 /nfs/dbraw/zinc/85/72/33/598857233.db2.gz GOIJJPIUPIBNRJ-AWEZNQCLSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1ccc(Nc2ccc(O[C@H]3CCOC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738368958 598857234 /nfs/dbraw/zinc/85/72/34/598857234.db2.gz GOIJJPIUPIBNRJ-AWEZNQCLSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000738367014 598860523 /nfs/dbraw/zinc/86/05/23/598860523.db2.gz NJZAQGSMSZVNKB-HJWRWDBZSA-N -1 3 361.321 2.995 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000738367014 598860525 /nfs/dbraw/zinc/86/05/25/598860525.db2.gz NJZAQGSMSZVNKB-HJWRWDBZSA-N -1 3 361.321 2.995 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000738361700 598886973 /nfs/dbraw/zinc/88/69/73/598886973.db2.gz YWPHRSMKHUTXHM-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000738361700 598886975 /nfs/dbraw/zinc/88/69/75/598886975.db2.gz YWPHRSMKHUTXHM-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM Cc1ccccc1[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000822351203 599037012 /nfs/dbraw/zinc/03/70/12/599037012.db2.gz LQVPTIFWKPTNJI-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccccc1[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000822351203 599037014 /nfs/dbraw/zinc/03/70/14/599037014.db2.gz LQVPTIFWKPTNJI-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccccc1O[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822366121 599065748 /nfs/dbraw/zinc/06/57/48/599065748.db2.gz CHKVPMIMNWOSJL-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1ccccc1O[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822366121 599065750 /nfs/dbraw/zinc/06/57/50/599065750.db2.gz CHKVPMIMNWOSJL-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000820926731 599085355 /nfs/dbraw/zinc/08/53/55/599085355.db2.gz VZJJJNJWLZTJAN-GFCCVEGCSA-N -1 3 356.390 2.688 20 5 FFBDHM CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000820926731 599085358 /nfs/dbraw/zinc/08/53/58/599085358.db2.gz VZJJJNJWLZTJAN-GFCCVEGCSA-N -1 3 356.390 2.688 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737017155 599120497 /nfs/dbraw/zinc/12/04/97/599120497.db2.gz RNALKXCRDVDLTR-UHFFFAOYSA-N -1 3 354.370 2.558 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737017155 599120499 /nfs/dbraw/zinc/12/04/99/599120499.db2.gz RNALKXCRDVDLTR-UHFFFAOYSA-N -1 3 354.370 2.558 20 5 FFBDHM Cc1c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822067535 607268865 /nfs/dbraw/zinc/26/88/65/607268865.db2.gz KPFXGAMYMBSVHR-YFHOEESVSA-N -1 3 350.338 2.735 20 5 FFBDHM Cc1c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822067535 607268866 /nfs/dbraw/zinc/26/88/66/607268866.db2.gz KPFXGAMYMBSVHR-YFHOEESVSA-N -1 3 350.338 2.735 20 5 FFBDHM Cc1c(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822092375 599248063 /nfs/dbraw/zinc/24/80/63/599248063.db2.gz XEOUZDIZEGNHOL-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1c(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822092375 599248065 /nfs/dbraw/zinc/24/80/65/599248065.db2.gz XEOUZDIZEGNHOL-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(O)cc3)cc(-c3nnn[n-]3)c2c1 ZINC000738367255 599266750 /nfs/dbraw/zinc/26/67/50/599266750.db2.gz ONVJAHMSRYQZTQ-UHFFFAOYSA-N -1 3 363.337 2.641 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(O)cc3)cc(-c3nn[n-]n3)c2c1 ZINC000738367255 599266753 /nfs/dbraw/zinc/26/67/53/599266753.db2.gz ONVJAHMSRYQZTQ-UHFFFAOYSA-N -1 3 363.337 2.641 20 5 FFBDHM Cc1c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822110188 607321897 /nfs/dbraw/zinc/32/18/97/607321897.db2.gz ZFVIYFADQCEYKK-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822110188 607321898 /nfs/dbraw/zinc/32/18/98/607321898.db2.gz ZFVIYFADQCEYKK-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820218883 607331733 /nfs/dbraw/zinc/33/17/33/607331733.db2.gz AYXUORXIPIUZER-DIFFPNOSSA-N -1 3 366.381 2.603 20 5 FFBDHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820218883 607331734 /nfs/dbraw/zinc/33/17/34/607331734.db2.gz AYXUORXIPIUZER-DIFFPNOSSA-N -1 3 366.381 2.603 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000737222089 598551123 /nfs/dbraw/zinc/55/11/23/598551123.db2.gz VSMMKDJMGGSRRA-UHFFFAOYSA-N -1 3 366.337 2.760 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000737222089 598551124 /nfs/dbraw/zinc/55/11/24/598551124.db2.gz VSMMKDJMGGSRRA-UHFFFAOYSA-N -1 3 366.337 2.760 20 5 FFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736635730 598569801 /nfs/dbraw/zinc/56/98/01/598569801.db2.gz YGSLPICEZLKHQW-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000736635730 598569803 /nfs/dbraw/zinc/56/98/03/598569803.db2.gz YGSLPICEZLKHQW-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738168308 598586705 /nfs/dbraw/zinc/58/67/05/598586705.db2.gz ZDDOMIABZIJEEH-UHFFFAOYSA-N -1 3 368.284 2.913 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738168308 598586707 /nfs/dbraw/zinc/58/67/07/598586707.db2.gz ZDDOMIABZIJEEH-UHFFFAOYSA-N -1 3 368.284 2.913 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737946485 598590635 /nfs/dbraw/zinc/59/06/35/598590635.db2.gz GBVOTMVJMCNLTH-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737946485 598590636 /nfs/dbraw/zinc/59/06/36/598590636.db2.gz GBVOTMVJMCNLTH-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737061603 598656328 /nfs/dbraw/zinc/65/63/28/598656328.db2.gz BGSQFECJMQWZIF-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000735671064 598672946 /nfs/dbraw/zinc/67/29/46/598672946.db2.gz KXDIIVZSVKNSFL-UHFFFAOYSA-N -1 3 357.349 2.699 20 5 FFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735671064 598672947 /nfs/dbraw/zinc/67/29/47/598672947.db2.gz KXDIIVZSVKNSFL-UHFFFAOYSA-N -1 3 357.349 2.699 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc(-c4nnn[n-]4)cc3F)c2)cc1 ZINC000738359035 598758133 /nfs/dbraw/zinc/75/81/33/598758133.db2.gz IPAIZXHHQMGENG-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc(-c4nn[n-]n4)cc3F)c2)cc1 ZINC000738359035 598758134 /nfs/dbraw/zinc/75/81/34/598758134.db2.gz IPAIZXHHQMGENG-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736750226 599308144 /nfs/dbraw/zinc/30/81/44/599308144.db2.gz XEDPILNDJCXKHF-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736750226 599308145 /nfs/dbraw/zinc/30/81/45/599308145.db2.gz XEDPILNDJCXKHF-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(CC1CCCC1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596261 599503740 /nfs/dbraw/zinc/50/37/40/599503740.db2.gz FINGISIPOJAEAW-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM CN(CC1CCCC1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821596261 599503742 /nfs/dbraw/zinc/50/37/42/599503742.db2.gz FINGISIPOJAEAW-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000822168076 599504987 /nfs/dbraw/zinc/50/49/87/599504987.db2.gz LHHRBVMTQBLZBA-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000822168076 599504988 /nfs/dbraw/zinc/50/49/88/599504988.db2.gz LHHRBVMTQBLZBA-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822020976 599537844 /nfs/dbraw/zinc/53/78/44/599537844.db2.gz PTZPXTOHYMNLJN-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1c(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822020976 599537846 /nfs/dbraw/zinc/53/78/46/599537846.db2.gz PTZPXTOHYMNLJN-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)cnc1N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823634506 607383005 /nfs/dbraw/zinc/38/30/05/607383005.db2.gz IKOXVBYJIAATEX-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)cnc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823634506 607383007 /nfs/dbraw/zinc/38/30/07/607383007.db2.gz IKOXVBYJIAATEX-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822226499 599540479 /nfs/dbraw/zinc/54/04/79/599540479.db2.gz VLWHWICYQIPFAT-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822226499 599540481 /nfs/dbraw/zinc/54/04/81/599540481.db2.gz VLWHWICYQIPFAT-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3Cc4ccccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644235 599543689 /nfs/dbraw/zinc/54/36/89/599543689.db2.gz HCSGNEPGUNTMAG-UHFFFAOYSA-N -1 3 359.349 2.843 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3Cc4ccccc4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644235 599543691 /nfs/dbraw/zinc/54/36/91/599543691.db2.gz HCSGNEPGUNTMAG-UHFFFAOYSA-N -1 3 359.349 2.843 20 5 FFBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000823413609 599695463 /nfs/dbraw/zinc/69/54/63/599695463.db2.gz KZSWOZXYJGVKLB-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000823413609 599695464 /nfs/dbraw/zinc/69/54/64/599695464.db2.gz KZSWOZXYJGVKLB-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(CCc1ccccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409420 607525339 /nfs/dbraw/zinc/52/53/39/607525339.db2.gz XYOXXOWGAXTPFT-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1ccccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826409420 607525341 /nfs/dbraw/zinc/52/53/41/607525341.db2.gz XYOXXOWGAXTPFT-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM C[C@@]1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833568717 604812835 /nfs/dbraw/zinc/81/28/35/604812835.db2.gz IBDMJZVDKLDCLS-CXAGYDPISA-N -1 3 360.370 2.768 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ccccc1Cl ZINC000826497530 607736880 /nfs/dbraw/zinc/73/68/80/607736880.db2.gz KHPYAHHGZAQQOK-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ccccc1Cl ZINC000826497530 607736881 /nfs/dbraw/zinc/73/68/81/607736881.db2.gz KHPYAHHGZAQQOK-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM CCc1ccc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821475872 606099946 /nfs/dbraw/zinc/09/99/46/606099946.db2.gz BQVSEXRSVMNRKV-NSHDSACASA-N -1 3 366.381 2.828 20 5 FFBDHM CCc1ccc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821475872 606099947 /nfs/dbraw/zinc/09/99/47/606099947.db2.gz BQVSEXRSVMNRKV-NSHDSACASA-N -1 3 366.381 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c(F)c1 ZINC000823640191 606177970 /nfs/dbraw/zinc/17/79/70/606177970.db2.gz WWIYDUUHNXBKHJ-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c(F)c1 ZINC000823640191 606177971 /nfs/dbraw/zinc/17/79/71/606177971.db2.gz WWIYDUUHNXBKHJ-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823646857 606590517 /nfs/dbraw/zinc/59/05/17/606590517.db2.gz BKEDUDNXIPBWFU-UHFFFAOYSA-N -1 3 363.280 2.955 20 5 FFBDHM O=[N+]([O-])c1ccccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823646857 606590519 /nfs/dbraw/zinc/59/05/19/606590519.db2.gz BKEDUDNXIPBWFU-UHFFFAOYSA-N -1 3 363.280 2.955 20 5 FFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820909045 606608999 /nfs/dbraw/zinc/60/89/99/606608999.db2.gz SNBZLVKIVYUKGS-GFCCVEGCSA-N -1 3 373.348 2.579 20 5 FFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820909045 606609001 /nfs/dbraw/zinc/60/90/01/606609001.db2.gz SNBZLVKIVYUKGS-GFCCVEGCSA-N -1 3 373.348 2.579 20 5 FFBDHM CO[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821679163 606609633 /nfs/dbraw/zinc/60/96/33/606609633.db2.gz YAKIRWOUIRZINF-UONOGXRCSA-N -1 3 369.385 2.549 20 5 FFBDHM CO[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821679163 606609635 /nfs/dbraw/zinc/60/96/35/606609635.db2.gz YAKIRWOUIRZINF-UONOGXRCSA-N -1 3 369.385 2.549 20 5 FFBDHM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000821569713 606676119 /nfs/dbraw/zinc/67/61/19/606676119.db2.gz SSVMXNMECJYHKO-UHFFFAOYSA-N -1 3 370.344 2.510 20 5 FFBDHM CN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000821569713 606676120 /nfs/dbraw/zinc/67/61/20/606676120.db2.gz SSVMXNMECJYHKO-UHFFFAOYSA-N -1 3 370.344 2.510 20 5 FFBDHM C[C@]1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000820633564 606728830 /nfs/dbraw/zinc/72/88/30/606728830.db2.gz CKBYICCERSGSDQ-SFHVURJKSA-N -1 3 350.382 2.943 20 5 FFBDHM C[C@]1(c2ccccc2)CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000820633564 606728832 /nfs/dbraw/zinc/72/88/32/606728832.db2.gz CKBYICCERSGSDQ-SFHVURJKSA-N -1 3 350.382 2.943 20 5 FFBDHM Cc1cccc2nc(CNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])n(C)c21 ZINC000822341537 606831855 /nfs/dbraw/zinc/83/18/55/606831855.db2.gz ZDWDJJHSGKZJKV-UHFFFAOYSA-N -1 3 364.369 2.582 20 5 FFBDHM Cc1cccc2nc(CNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])n(C)c21 ZINC000822341537 606831856 /nfs/dbraw/zinc/83/18/56/606831856.db2.gz ZDWDJJHSGKZJKV-UHFFFAOYSA-N -1 3 364.369 2.582 20 5 FFBDHM Cc1c(NCCCOc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822121747 606861678 /nfs/dbraw/zinc/86/16/78/606861678.db2.gz GKGAVKVYSQNONP-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1c(NCCCOc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822121747 606861679 /nfs/dbraw/zinc/86/16/79/606861679.db2.gz GKGAVKVYSQNONP-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821845143 606862265 /nfs/dbraw/zinc/86/22/65/606862265.db2.gz BKVKXFYQAHMZCZ-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821845143 606862266 /nfs/dbraw/zinc/86/22/66/606862266.db2.gz BKVKXFYQAHMZCZ-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM O=[N+]([O-])c1cc(NCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000823634752 606862791 /nfs/dbraw/zinc/86/27/91/606862791.db2.gz LMNBNFJUBSKWHE-UHFFFAOYSA-N -1 3 358.333 2.795 20 5 FFBDHM O=[N+]([O-])c1cc(NCCCOc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000823634752 606862792 /nfs/dbraw/zinc/86/27/92/606862792.db2.gz LMNBNFJUBSKWHE-UHFFFAOYSA-N -1 3 358.333 2.795 20 5 FFBDHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820236153 606946338 /nfs/dbraw/zinc/94/63/38/606946338.db2.gz YJRKMMMYEVMKEX-BZNIZROVSA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820236153 606946340 /nfs/dbraw/zinc/94/63/40/606946340.db2.gz YJRKMMMYEVMKEX-BZNIZROVSA-N -1 3 354.370 2.699 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822929135 606990280 /nfs/dbraw/zinc/99/02/80/606990280.db2.gz QDEQDOOKYGQFRN-YWEYNIOJSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822929135 606990281 /nfs/dbraw/zinc/99/02/81/606990281.db2.gz QDEQDOOKYGQFRN-YWEYNIOJSA-N -1 3 369.312 2.671 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822212837 606998431 /nfs/dbraw/zinc/99/84/31/606998431.db2.gz JEVQESJZSAGSSI-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822212837 606998432 /nfs/dbraw/zinc/99/84/32/606998432.db2.gz JEVQESJZSAGSSI-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000820769229 607115772 /nfs/dbraw/zinc/11/57/72/607115772.db2.gz RUGBHASMHOYLLA-ZUZCIYMTSA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000820769229 607115773 /nfs/dbraw/zinc/11/57/73/607115773.db2.gz RUGBHASMHOYLLA-ZUZCIYMTSA-N -1 3 372.410 2.803 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(c2ccccn2)CC1 ZINC000826497720 607820525 /nfs/dbraw/zinc/82/05/25/607820525.db2.gz RMAOVNMCOPAKAK-UHFFFAOYSA-N -1 3 351.370 2.554 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(c2ccccn2)CC1 ZINC000826497720 607820526 /nfs/dbraw/zinc/82/05/26/607820526.db2.gz RMAOVNMCOPAKAK-UHFFFAOYSA-N -1 3 351.370 2.554 20 5 FFBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000826498344 607821071 /nfs/dbraw/zinc/82/10/71/607821071.db2.gz QMBKDYLIBWQRFM-UHFFFAOYSA-N -1 3 358.339 2.975 20 5 FFBDHM O=[N+]([O-])c1ccc(CSc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000826498344 607821072 /nfs/dbraw/zinc/82/10/72/607821072.db2.gz QMBKDYLIBWQRFM-UHFFFAOYSA-N -1 3 358.339 2.975 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(-c2nnn[n-]2)c1 ZINC000826499216 607849894 /nfs/dbraw/zinc/84/98/94/607849894.db2.gz ZWYONJFBQIIFAY-NILFDRSVSA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(-c2nn[n-]n2)c1 ZINC000826499216 607849895 /nfs/dbraw/zinc/84/98/95/607849895.db2.gz ZWYONJFBQIIFAY-NILFDRSVSA-N -1 3 356.386 2.535 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1COc2ccccc21 ZINC000824657520 607850145 /nfs/dbraw/zinc/85/01/45/607850145.db2.gz QSTBTSYJICTBGK-QMTHXVAHSA-N -1 3 352.354 2.752 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000824657520 607850146 /nfs/dbraw/zinc/85/01/46/607850146.db2.gz QSTBTSYJICTBGK-QMTHXVAHSA-N -1 3 352.354 2.752 20 5 FFBDHM Cc1cc(C)c(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000826263513 607872522 /nfs/dbraw/zinc/87/25/22/607872522.db2.gz FQCBVJFJWAIUTR-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc(C)c(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000826263513 607872523 /nfs/dbraw/zinc/87/25/23/607872523.db2.gz FQCBVJFJWAIUTR-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM O=[N+]([O-])c1cccc([C@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499449 607872968 /nfs/dbraw/zinc/87/29/68/607872968.db2.gz JCVHKWRQTZHTSM-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc([C@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826499449 607872969 /nfs/dbraw/zinc/87/29/69/607872969.db2.gz JCVHKWRQTZHTSM-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826242998 607873966 /nfs/dbraw/zinc/87/39/66/607873966.db2.gz PJEZZQBOSYHVCJ-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826468677 607964661 /nfs/dbraw/zinc/96/46/61/607964661.db2.gz CQRGSDHUMIEZBE-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826468677 607964662 /nfs/dbraw/zinc/96/46/62/607964662.db2.gz CQRGSDHUMIEZBE-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000824009704 607972954 /nfs/dbraw/zinc/97/29/54/607972954.db2.gz CGGXTWNCFKQKAD-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000824009704 607972955 /nfs/dbraw/zinc/97/29/55/607972955.db2.gz CGGXTWNCFKQKAD-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823942800 608141547 /nfs/dbraw/zinc/14/15/47/608141547.db2.gz JNRUCNPIIVTTRS-ZRDIBKRKSA-N -1 3 365.349 2.922 20 5 FFBDHM CC(=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823942800 608141548 /nfs/dbraw/zinc/14/15/48/608141548.db2.gz JNRUCNPIIVTTRS-ZRDIBKRKSA-N -1 3 365.349 2.922 20 5 FFBDHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826286845 608163378 /nfs/dbraw/zinc/16/33/78/608163378.db2.gz SMFGNIRWCRLPLC-UHFFFAOYSA-N -1 3 362.733 2.511 20 5 FFBDHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826286845 608163380 /nfs/dbraw/zinc/16/33/80/608163380.db2.gz SMFGNIRWCRLPLC-UHFFFAOYSA-N -1 3 362.733 2.511 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000826498996 608238624 /nfs/dbraw/zinc/23/86/24/608238624.db2.gz RFXBGPOKFFRMNN-GUYCJALGSA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000826498996 608238625 /nfs/dbraw/zinc/23/86/25/608238625.db2.gz RFXBGPOKFFRMNN-GUYCJALGSA-N -1 3 366.381 2.965 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)c(NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000826276464 608290081 /nfs/dbraw/zinc/29/00/81/608290081.db2.gz IAISUGYFSGZEEJ-UHFFFAOYSA-N -1 3 353.386 2.913 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)c(NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000826276464 608290082 /nfs/dbraw/zinc/29/00/82/608290082.db2.gz IAISUGYFSGZEEJ-UHFFFAOYSA-N -1 3 353.386 2.913 20 5 FFBDHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826267019 609284449 /nfs/dbraw/zinc/28/44/49/609284449.db2.gz MBFGQFACAFOCEZ-CLFYSBASSA-N -1 3 365.349 2.840 20 5 FFBDHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826267019 609284450 /nfs/dbraw/zinc/28/44/50/609284450.db2.gz MBFGQFACAFOCEZ-CLFYSBASSA-N -1 3 365.349 2.840 20 5 FFBDHM O=[N+]([O-])c1ccc2ncnc(Sc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000826499415 609438459 /nfs/dbraw/zinc/43/84/59/609438459.db2.gz HVZMJNAQNWMNKJ-UHFFFAOYSA-N -1 3 351.351 2.869 20 5 FFBDHM O=[N+]([O-])c1ccc2ncnc(Sc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000826499415 609438461 /nfs/dbraw/zinc/43/84/61/609438461.db2.gz HVZMJNAQNWMNKJ-UHFFFAOYSA-N -1 3 351.351 2.869 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCCNc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC000826499164 609603272 /nfs/dbraw/zinc/60/32/72/609603272.db2.gz YJIVWLQSYVJTSB-UHFFFAOYSA-N -1 3 357.349 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCCNc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC000826499164 609603273 /nfs/dbraw/zinc/60/32/73/609603273.db2.gz YJIVWLQSYVJTSB-UHFFFAOYSA-N -1 3 357.349 2.828 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1csc([N+](=O)[O-])c1 ZINC000826465488 609613920 /nfs/dbraw/zinc/61/39/20/609613920.db2.gz PLQBSDCDGQSFJD-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1csc([N+](=O)[O-])c1 ZINC000826465488 609613921 /nfs/dbraw/zinc/61/39/21/609613921.db2.gz PLQBSDCDGQSFJD-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154317003 728801997 /nfs/dbraw/zinc/80/19/97/728801997.db2.gz XLBPHJRQOVJQPN-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122739859 728651052 /nfs/dbraw/zinc/65/10/52/728651052.db2.gz BDHOZHCVUJHANQ-IAQYHMDHSA-N -1 3 368.386 2.524 20 5 FFBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175116563 729087590 /nfs/dbraw/zinc/08/75/90/729087590.db2.gz ABHAKMSCOMWGEU-NSHDSACASA-N -1 3 365.367 2.851 20 5 FFBDHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000731618849 734687783 /nfs/dbraw/zinc/68/77/83/734687783.db2.gz WAOKQYAQKXLQRF-UHFFFAOYSA-N -1 3 350.277 2.695 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000749808803 735751137 /nfs/dbraw/zinc/75/11/37/735751137.db2.gz BZZRFYPPLUTNNW-NSHDSACASA-N -1 3 364.379 2.884 20 5 FFBDHM O=Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])c([N+](=O)[O-])c1 ZINC000759655130 736584239 /nfs/dbraw/zinc/58/42/39/736584239.db2.gz KJBYHBIQCZFWPU-UHFFFAOYSA-N -1 3 350.714 2.784 20 5 FFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000768891029 737473449 /nfs/dbraw/zinc/47/34/49/737473449.db2.gz YUMJDLKTAFJEDO-SOFGYWHQSA-N -1 3 354.775 2.560 20 5 FFBDHM O=C(COC(=O)c1cccc(Cl)c1[O-])Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000775930825 738143499 /nfs/dbraw/zinc/14/34/99/738143499.db2.gz UQSGNARZNCAMQB-UHFFFAOYSA-N -1 3 368.704 2.888 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)ccc1F ZINC000800051553 740478701 /nfs/dbraw/zinc/47/87/01/740478701.db2.gz NNVNGFCQRGGNQM-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000800052223 740479197 /nfs/dbraw/zinc/47/91/97/740479197.db2.gz LVWZQUKRBBGCIT-UHFFFAOYSA-N -1 3 368.342 2.614 20 5 FFBDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc([N+](=O)[O-])cc2F)n1 ZINC000822427602 742732037 /nfs/dbraw/zinc/73/20/37/742732037.db2.gz QHENUUBLAKGRAP-UHFFFAOYSA-N -1 3 361.362 2.613 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000827849936 744989798 /nfs/dbraw/zinc/98/97/98/744989798.db2.gz JJEYUSOBMARBQL-YGRLFVJLSA-N -1 3 359.348 2.792 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000832146966 745645476 /nfs/dbraw/zinc/64/54/76/745645476.db2.gz BUCHASIENVQMAU-SECBINFHSA-N -1 3 359.256 2.827 20 5 FFBDHM CC(C)(C)OC(=O)NCC[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)F ZINC000853655871 750127686 /nfs/dbraw/zinc/12/76/86/750127686.db2.gz PMQMKGALAMKUQV-SECBINFHSA-N -1 3 362.333 2.656 20 5 FFBDHM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853674565 750132663 /nfs/dbraw/zinc/13/26/63/750132663.db2.gz CSAPWDOZNBNMKL-WDEREUQCSA-N -1 3 352.391 2.801 20 5 FFBDHM CCCCOCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736460702 944826492 /nfs/dbraw/zinc/82/64/92/944826492.db2.gz OLAIMFKOCVQSSJ-UHFFFAOYSA-N -1 3 371.401 2.942 20 5 FFBDHM CCCCOCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736460702 944826500 /nfs/dbraw/zinc/82/65/00/944826500.db2.gz OLAIMFKOCVQSSJ-UHFFFAOYSA-N -1 3 371.401 2.942 20 5 FFBDHM C[C@@H]1[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311951447 963523771 /nfs/dbraw/zinc/52/37/71/963523771.db2.gz JTDQXWMXGOMRPX-TZMCWYRMSA-N -1 3 356.382 2.763 20 5 FFBDHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000436612082 980274109 /nfs/dbraw/zinc/27/41/09/980274109.db2.gz ZOLSZTWXKZTXBV-UHFFFAOYSA-N -1 3 356.334 2.834 20 5 FFBDHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001212471161 987546071 /nfs/dbraw/zinc/54/60/71/987546071.db2.gz VSYBDHGGENXPCB-UHFFFAOYSA-N -1 3 364.489 2.820 20 5 FFBDHM COC[C@@](C)(CC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001599149807 998276981 /nfs/dbraw/zinc/27/69/81/998276981.db2.gz RIKUSOUYBSEZDY-CYBMUJFWSA-N -1 3 350.293 2.583 20 5 FFBDHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC001185614676 1003005989 /nfs/dbraw/zinc/00/59/89/1003005989.db2.gz MCPYXTNVTIXPEX-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001191846520 1003980776 /nfs/dbraw/zinc/98/07/76/1003980776.db2.gz AOUGJVGMCSCHOD-SNVBAGLBSA-N -1 3 350.462 2.694 20 5 FFBDHM Cc1nc(C)c(CCC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c(=O)[n-]1 ZINC001130755983 1004429604 /nfs/dbraw/zinc/42/96/04/1004429604.db2.gz LFAAOGIPOGIBKE-UHFFFAOYSA-N -1 3 367.365 2.827 20 5 FFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001187874980 1006303372 /nfs/dbraw/zinc/30/33/72/1006303372.db2.gz KJGZAYLWJGRNCW-AAEUAGOBSA-N -1 3 362.448 2.995 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000853644661 1006491675 /nfs/dbraw/zinc/49/16/75/1006491675.db2.gz VLHWSRWJUCIJAL-VXGBXAGGSA-N -1 3 364.402 2.531 20 5 FFBDHM O=c1cc(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)nc(-c2ccccc2)[n-]1 ZINC001188823679 1006749275 /nfs/dbraw/zinc/74/92/75/1006749275.db2.gz ULMQAOSKWIYPPH-UHFFFAOYSA-N -1 3 358.741 2.621 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCC(C)CC1 ZINC001189946690 1007387742 /nfs/dbraw/zinc/38/77/42/1007387742.db2.gz MJZCWZVBTKBYNX-UHFFFAOYSA-N -1 3 374.434 2.916 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1F ZINC000820099012 1008285063 /nfs/dbraw/zinc/28/50/63/1008285063.db2.gz IRIFPPOMNJFOLN-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1F ZINC000820099012 1008285066 /nfs/dbraw/zinc/28/50/66/1008285066.db2.gz IRIFPPOMNJFOLN-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cnccc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212838681 1009480053 /nfs/dbraw/zinc/48/00/53/1009480053.db2.gz YJUGHFZAPSGHDF-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1cnccc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212838681 1009480058 /nfs/dbraw/zinc/48/00/58/1009480058.db2.gz YJUGHFZAPSGHDF-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001118382199 1022205668 /nfs/dbraw/zinc/20/56/68/1022205668.db2.gz VOLUEERNAVLVOH-UTUOFQBUSA-N -1 3 360.382 2.924 20 5 FFBDHM COc1cc(C(=O)OCc2nc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1[O-] ZINC000754268563 1023448302 /nfs/dbraw/zinc/44/83/02/1023448302.db2.gz PTOSXOGZOJOQMR-UHFFFAOYSA-N -1 3 374.305 2.816 20 5 FFBDHM NCc1cc(Br)ccc1[N-]c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001161852458 1028334710 /nfs/dbraw/zinc/33/47/10/1028334710.db2.gz RMUYALJAXRZSMJ-UHFFFAOYSA-N -1 3 373.594 2.846 20 5 FFBDHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001163832051 1029083739 /nfs/dbraw/zinc/08/37/39/1029083739.db2.gz VXZLSZHMXZIGBO-UHFFFAOYSA-N -1 3 372.307 2.722 20 5 FFBDHM CCOC(=O)c1nnn(Cc2ccccc2)c1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203567030 1030767389 /nfs/dbraw/zinc/76/73/89/1030767389.db2.gz VEYCKHVRVPIMAL-UHFFFAOYSA-N -1 3 368.353 2.550 20 5 FFBDHM COc1cc(OCC(=O)OC(C)C)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227646011 1035653593 /nfs/dbraw/zinc/65/35/93/1035653593.db2.gz MJALYILQJIBWSZ-UHFFFAOYSA-N -1 3 374.345 2.696 20 5 FFBDHM COC(=O)C[C@@H](C)Oc1cc(OC)cc2oc3c([O-])ccc(O)c3c(=O)c12 ZINC001227646839 1035653945 /nfs/dbraw/zinc/65/39/45/1035653945.db2.gz UHOULIBBEFBXBP-SECBINFHSA-N -1 3 374.345 2.696 20 5 FFBDHM CCOC(=O)C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227692876 1035674923 /nfs/dbraw/zinc/67/49/23/1035674923.db2.gz GVTQNVUKHNIHNQ-ZDUSSCGKSA-N -1 3 356.338 2.939 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227693028 1035677720 /nfs/dbraw/zinc/67/77/20/1035677720.db2.gz JDCNKRIYYGJAKG-UHFFFAOYSA-N -1 3 363.374 2.644 20 5 FFBDHM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227741720 1035708266 /nfs/dbraw/zinc/70/82/66/1035708266.db2.gz RCAWUDVLPKGCGA-OAHLLOKOSA-N -1 3 359.313 2.773 20 5 FFBDHM COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227741720 1035708282 /nfs/dbraw/zinc/70/82/82/1035708282.db2.gz RCAWUDVLPKGCGA-OAHLLOKOSA-N -1 3 359.313 2.773 20 5 FFBDHM O=C1CCc2cc([O-])c(O[C@H](C[N+](=O)[O-])c3ccc4c(c3)OCO4)cc21 ZINC001228855558 1036364304 /nfs/dbraw/zinc/36/43/04/1036364304.db2.gz MPGBRVUWEFFGQK-GOSISDBHSA-N -1 3 357.318 2.647 20 5 FFBDHM COc1cc([O-])c(C)c(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])c1C(C)=O ZINC001234791220 1037183539 /nfs/dbraw/zinc/18/35/39/1037183539.db2.gz LYYCYMGJTZIDPL-VIFPVBQESA-N -1 3 363.370 2.792 20 5 FFBDHM COc1cc([O-])cc2oc3cc([O-])c(O[C@@H](C)C[N+](C)(C)C)cc3c(=O)c12 ZINC001234802368 1037185147 /nfs/dbraw/zinc/18/51/47/1037185147.db2.gz XAIGALZMNKPCBP-NSHDSACASA-O -1 3 374.413 2.840 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccn3ccnc23)no1 ZINC001247998405 1040093153 /nfs/dbraw/zinc/09/31/53/1040093153.db2.gz CNEMMQXQXVJLBF-UHFFFAOYSA-N -1 3 350.294 2.545 20 5 FFBDHM COC(=O)c1cnc([N-]c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)OC)c1 ZINC001248604127 1040338560 /nfs/dbraw/zinc/33/85/60/1040338560.db2.gz OWIUJQIZKYIZHU-UHFFFAOYSA-N -1 3 365.729 2.960 20 5 FFBDHM Cc1ccc(N(Cc2cnn(C)c2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001303499124 1051368779 /nfs/dbraw/zinc/36/87/79/1051368779.db2.gz DKEXFOFCOWBINE-UHFFFAOYSA-N -1 3 367.365 2.584 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c([N+](=O)[O-])s1 ZINC001309175954 1052567975 /nfs/dbraw/zinc/56/79/75/1052567975.db2.gz NVLPCLXPTAUXMF-LLVKDONJSA-N -1 3 368.436 2.809 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc2ccccc2s1 ZINC001309195649 1052571836 /nfs/dbraw/zinc/57/18/36/1052571836.db2.gz BLCJFVNNXFOGEX-SECBINFHSA-N -1 3 364.408 2.639 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2F)c([N+](=O)[O-])s1 ZINC001309233896 1052580111 /nfs/dbraw/zinc/58/01/11/1052580111.db2.gz MIKJFHOZSSXCRK-VIFPVBQESA-N -1 3 374.415 2.850 20 5 FFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(Br)o1 ZINC001339012248 1056013033 /nfs/dbraw/zinc/01/30/33/1056013033.db2.gz XEQJOAXJGOZGPD-NSHDSACASA-N -1 3 369.171 2.736 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCCc2ncccc2C)c([N+](=O)[O-])s1 ZINC001475295616 1061038780 /nfs/dbraw/zinc/03/87/80/1061038780.db2.gz ZDJTWHIVESSEDX-UHFFFAOYSA-N -1 3 355.441 2.579 20 5 FFBDHM CCOC(=O)CN(Cc1ccccc1)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001462044121 1061487157 /nfs/dbraw/zinc/48/71/57/1061487157.db2.gz SFEUPVZEYZZHAT-UHFFFAOYSA-N -1 3 374.393 2.874 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/c2cccnc2)c(Cl)c1 ZINC001464059573 1062404747 /nfs/dbraw/zinc/40/47/47/1062404747.db2.gz LYIHXVQMTDPFFP-DUXPYHPUSA-N -1 3 353.787 2.635 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CCC2)c(F)cc1[N+](=O)[O-] ZINC001464343135 1062558182 /nfs/dbraw/zinc/55/81/82/1062558182.db2.gz PBMGGIXADMIVHJ-OAHLLOKOSA-N -1 3 372.418 2.812 20 5 FFBDHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001533262619 1063267438 /nfs/dbraw/zinc/26/74/38/1063267438.db2.gz IENALEMVOOHSAE-UHFFFAOYSA-N -1 3 352.690 2.812 20 5 FFBDHM CCC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cccc([N+](=O)[O-])c1 ZINC001576484258 1078234265 /nfs/dbraw/zinc/23/42/65/1078234265.db2.gz GONFUMGEJNPRML-UHFFFAOYSA-N -1 3 353.338 2.947 20 5 FFBDHM CCC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cccc([N+](=O)[O-])c1 ZINC001576484258 1078234268 /nfs/dbraw/zinc/23/42/68/1078234268.db2.gz GONFUMGEJNPRML-UHFFFAOYSA-N -1 3 353.338 2.947 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C1CCOCC1 ZINC001475055299 1065688267 /nfs/dbraw/zinc/68/82/67/1065688267.db2.gz XXMDWQWFJZINJE-CYBMUJFWSA-N -1 3 360.407 2.526 20 5 FFBDHM CC[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001578422915 1078472241 /nfs/dbraw/zinc/47/22/41/1078472241.db2.gz FWJCIDPURSCFPK-GFCCVEGCSA-N -1 3 358.383 2.718 20 5 FFBDHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001578473508 1078478255 /nfs/dbraw/zinc/47/82/55/1078478255.db2.gz DEROENWKFVRUPL-HNNXBMFYSA-N -1 3 370.344 2.795 20 5 FFBDHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001578473508 1078478258 /nfs/dbraw/zinc/47/82/58/1078478258.db2.gz DEROENWKFVRUPL-HNNXBMFYSA-N -1 3 370.344 2.795 20 5 FFBDHM CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC001578856192 1078535483 /nfs/dbraw/zinc/53/54/83/1078535483.db2.gz YZQAGKQYIZXCJO-CABCVRRESA-N -1 3 364.365 2.541 20 5 FFBDHM CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC001578856192 1078535490 /nfs/dbraw/zinc/53/54/90/1078535490.db2.gz YZQAGKQYIZXCJO-CABCVRRESA-N -1 3 364.365 2.541 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001580610283 1078836163 /nfs/dbraw/zinc/83/61/63/1078836163.db2.gz IPNBPOBKNHRZJE-UHFFFAOYSA-N -1 3 366.381 2.597 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001580610283 1078836166 /nfs/dbraw/zinc/83/61/66/1078836166.db2.gz IPNBPOBKNHRZJE-UHFFFAOYSA-N -1 3 366.381 2.597 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001581134799 1078922596 /nfs/dbraw/zinc/92/25/96/1078922596.db2.gz GKFLHBNZCSGENO-UHFFFAOYSA-N -1 3 364.365 2.676 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001581134799 1078922597 /nfs/dbraw/zinc/92/25/97/1078922597.db2.gz GKFLHBNZCSGENO-UHFFFAOYSA-N -1 3 364.365 2.676 20 5 FFBDHM Cc1ccc(COC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001581200326 1078935051 /nfs/dbraw/zinc/93/50/51/1078935051.db2.gz HJPKKJFBERWBPH-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(COC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001581200326 1078935059 /nfs/dbraw/zinc/93/50/59/1078935059.db2.gz HJPKKJFBERWBPH-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001582705618 1079101708 /nfs/dbraw/zinc/10/17/08/1079101708.db2.gz WBRJEHLMVJVGKR-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001582705618 1079101714 /nfs/dbraw/zinc/10/17/14/1079101714.db2.gz WBRJEHLMVJVGKR-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1noc2ccccc12 ZINC001582803769 1079109837 /nfs/dbraw/zinc/10/98/37/1079109837.db2.gz UKZMHKZSEXCSAP-UHFFFAOYSA-N -1 3 355.289 2.667 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1noc2ccccc12 ZINC001582803769 1079109840 /nfs/dbraw/zinc/10/98/40/1079109840.db2.gz UKZMHKZSEXCSAP-UHFFFAOYSA-N -1 3 355.289 2.667 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCc1cc(F)c(Cl)cc1F ZINC001582803589 1079110139 /nfs/dbraw/zinc/11/01/39/1079110139.db2.gz NDEAEQBOTFXBFI-UHFFFAOYSA-N -1 3 367.703 2.714 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCc1cc(F)c(Cl)cc1F ZINC001582803589 1079110144 /nfs/dbraw/zinc/11/01/44/1079110144.db2.gz NDEAEQBOTFXBFI-UHFFFAOYSA-N -1 3 367.703 2.714 20 5 FFBDHM O=C(Nc1cc(Br)ccc1[O-])[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001567237231 1077007736 /nfs/dbraw/zinc/00/77/36/1077007736.db2.gz JFTJJZZOWYQQJL-CYBMUJFWSA-N -1 3 367.155 2.735 20 5 FFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001587622843 1079829911 /nfs/dbraw/zinc/82/99/11/1079829911.db2.gz KZEALQQKFOANFA-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001587622843 1079829914 /nfs/dbraw/zinc/82/99/14/1079829914.db2.gz KZEALQQKFOANFA-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001588907234 1080256946 /nfs/dbraw/zinc/25/69/46/1080256946.db2.gz MQZLFMWOIBXBKW-UHFFFAOYSA-N -1 3 364.365 2.540 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001588907234 1080256955 /nfs/dbraw/zinc/25/69/55/1080256955.db2.gz MQZLFMWOIBXBKW-UHFFFAOYSA-N -1 3 364.365 2.540 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589155795 1080389516 /nfs/dbraw/zinc/38/95/16/1080389516.db2.gz JQZCZLZSBPQODW-UHFFFAOYSA-N -1 3 351.388 2.599 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589155795 1080389521 /nfs/dbraw/zinc/38/95/21/1080389521.db2.gz JQZCZLZSBPQODW-UHFFFAOYSA-N -1 3 351.388 2.599 20 5 FFBDHM CC(C)(C)OC1CC(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589193187 1080408179 /nfs/dbraw/zinc/40/81/79/1080408179.db2.gz LBLKADNLYCXJFY-UHFFFAOYSA-N -1 3 361.406 2.566 20 5 FFBDHM CC(C)(C)OC1CC(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589193187 1080408186 /nfs/dbraw/zinc/40/81/86/1080408186.db2.gz LBLKADNLYCXJFY-UHFFFAOYSA-N -1 3 361.406 2.566 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])OCC1CC1 ZINC001589288506 1080466199 /nfs/dbraw/zinc/46/61/99/1080466199.db2.gz OIDHLWGIDBOGFF-UHFFFAOYSA-N -1 3 350.354 2.531 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])OCC1CC1 ZINC001589288506 1080466201 /nfs/dbraw/zinc/46/62/01/1080466201.db2.gz OIDHLWGIDBOGFF-UHFFFAOYSA-N -1 3 350.354 2.531 20 5 FFBDHM CC(C)[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001589476690 1080552902 /nfs/dbraw/zinc/55/29/02/1080552902.db2.gz SXCVETAUPWPJEO-SJORKVTESA-N -1 3 368.397 2.945 20 5 FFBDHM CC(C)[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001589476690 1080552910 /nfs/dbraw/zinc/55/29/10/1080552910.db2.gz SXCVETAUPWPJEO-SJORKVTESA-N -1 3 368.397 2.945 20 5 FFBDHM CC(C)Oc1nc(N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1[N+](=O)[O-] ZINC001589759232 1080714269 /nfs/dbraw/zinc/71/42/69/1080714269.db2.gz FYEUWWDSAONQCP-UHFFFAOYSA-N -1 3 367.369 2.651 20 5 FFBDHM CC(C)Oc1nc(N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1[N+](=O)[O-] ZINC001589759232 1080714276 /nfs/dbraw/zinc/71/42/76/1080714276.db2.gz FYEUWWDSAONQCP-UHFFFAOYSA-N -1 3 367.369 2.651 20 5 FFBDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001590033307 1080959097 /nfs/dbraw/zinc/95/90/97/1080959097.db2.gz RZPOYUPLQURFJL-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001590033307 1080959099 /nfs/dbraw/zinc/95/90/99/1080959099.db2.gz RZPOYUPLQURFJL-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H]1[C@H](C(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590164131 1081063892 /nfs/dbraw/zinc/06/38/92/1081063892.db2.gz AZVLZYGBSVWEKQ-LDYMZIIASA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590239897 1081114224 /nfs/dbraw/zinc/11/42/24/1081114224.db2.gz NOJXTGGTHKHIKJ-MVQRFQBOSA-N -1 3 372.429 2.541 20 5 FFBDHM CC(C)(C)c1nsc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC000272346583 252015960 /nfs/dbraw/zinc/01/59/60/252015960.db2.gz QDPCZRPEFVEQNC-UHFFFAOYSA-N -1 3 350.356 2.725 20 5 FFBDHM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000273294519 252276323 /nfs/dbraw/zinc/27/63/23/252276323.db2.gz DBLYIFDTTAPYRE-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cccc2c1OCCCO2 ZINC000277501802 256205058 /nfs/dbraw/zinc/20/50/58/256205058.db2.gz XRIHFHJAHBVBAS-INIZCTEOSA-N -1 3 372.377 2.542 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)c1C ZINC000289071842 257253779 /nfs/dbraw/zinc/25/37/79/257253779.db2.gz ZNGXJODYAHGWFT-ZDUSSCGKSA-N -1 3 352.416 2.610 20 5 FFBDHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000053671152 506426524 /nfs/dbraw/zinc/42/65/24/506426524.db2.gz MXSCTESKUYUQTP-JTQLQIEISA-N -1 3 356.350 2.783 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000007908937 506600237 /nfs/dbraw/zinc/60/02/37/506600237.db2.gz UBLFVQFOELIRFT-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)c(Cl)c1 ZINC000056043887 506917523 /nfs/dbraw/zinc/91/75/23/506917523.db2.gz ZOZGKUJVNQWEFN-GFCCVEGCSA-N -1 3 368.798 2.530 20 5 FFBDHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056139385 506945703 /nfs/dbraw/zinc/94/57/03/506945703.db2.gz MEAMAADTCVWWQP-UHFFFAOYSA-N -1 3 368.386 3.000 20 5 FFBDHM Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000057799270 507331846 /nfs/dbraw/zinc/33/18/46/507331846.db2.gz JLMYHPKIBPRZJV-UHFFFAOYSA-N -1 3 350.762 2.520 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000068937965 507365837 /nfs/dbraw/zinc/36/58/37/507365837.db2.gz KYMYXZZIKKVKPR-ZDUSSCGKSA-N -1 3 366.370 2.844 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000073635545 507940945 /nfs/dbraw/zinc/94/09/45/507940945.db2.gz GIMVPVQETIHNFM-UHFFFAOYSA-N -1 3 358.379 2.890 20 5 FFBDHM CCNC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc2ccccc21 ZINC000092871741 508105572 /nfs/dbraw/zinc/10/55/72/508105572.db2.gz MZSYDMQBDDTIMO-UHFFFAOYSA-N -1 3 354.322 2.738 20 5 FFBDHM COc1ccc([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)c([N+](=O)[O-])c1 ZINC000112164172 508156512 /nfs/dbraw/zinc/15/65/12/508156512.db2.gz PTJOCHHGVHREBR-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000088718032 508381797 /nfs/dbraw/zinc/38/17/97/508381797.db2.gz YSFGSNXNVVVGKK-SFHVURJKSA-N -1 3 354.366 2.570 20 5 FFBDHM COc1ccc([N-]C(=O)c2csc(-c3ncccn3)n2)c([N+](=O)[O-])c1 ZINC000127612545 508476694 /nfs/dbraw/zinc/47/66/94/508476694.db2.gz OYLKPLVDXCDSFA-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM COc1cccc(C2([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])CC2)c1 ZINC000127636498 508480519 /nfs/dbraw/zinc/48/05/19/508480519.db2.gz CURNUVCWNGUSHX-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])[n-]c21 ZINC000157792467 508612802 /nfs/dbraw/zinc/61/28/02/508612802.db2.gz UWBODZUFXDLUAW-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(C)c3[N+](=O)[O-])nc21 ZINC000157792467 508612807 /nfs/dbraw/zinc/61/28/07/508612807.db2.gz UWBODZUFXDLUAW-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000123077700 508632318 /nfs/dbraw/zinc/63/23/18/508632318.db2.gz BNKSEQYRGQTJKR-UHFFFAOYSA-N -1 3 365.349 2.616 20 5 FFBDHM Cc1ccnc(-n2nccc2NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000135616171 508632673 /nfs/dbraw/zinc/63/26/73/508632673.db2.gz FBCRGZNDVYOROP-UHFFFAOYSA-N -1 3 363.337 2.613 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000154049797 508707097 /nfs/dbraw/zinc/70/70/97/508707097.db2.gz NHYHVHYEZZZLTJ-UHFFFAOYSA-N -1 3 371.440 2.662 20 5 FFBDHM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(OCCN(C)C)c1 ZINC000137183338 508742535 /nfs/dbraw/zinc/74/25/35/508742535.db2.gz WZHALKZCESYGQZ-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM O=C(c1ccc([O-])cc1)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154480763 508793467 /nfs/dbraw/zinc/79/34/67/508793467.db2.gz PPXIGGLCJNTXCU-IBGZPJMESA-N -1 3 370.405 2.929 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCC1 ZINC000124968637 508911918 /nfs/dbraw/zinc/91/19/18/508911918.db2.gz JXTBMFVOEGNGAJ-UHFFFAOYSA-N -1 3 356.444 2.778 20 5 FFBDHM O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000155115047 508927102 /nfs/dbraw/zinc/92/71/02/508927102.db2.gz UTGVATSFSLFWGO-UHFFFAOYSA-N -1 3 369.312 2.747 20 5 FFBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000160138316 508944427 /nfs/dbraw/zinc/94/44/27/508944427.db2.gz CUJOMBCXDFQZAI-UHFFFAOYSA-N -1 3 355.394 2.695 20 5 FFBDHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125539944 508996615 /nfs/dbraw/zinc/99/66/15/508996615.db2.gz BZJDGDGFOLQWDX-GFCCVEGCSA-N -1 3 368.436 2.939 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121091966 509126241 /nfs/dbraw/zinc/12/62/41/509126241.db2.gz CXYOZHFOKDLVQI-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121091966 509126243 /nfs/dbraw/zinc/12/62/43/509126243.db2.gz CXYOZHFOKDLVQI-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)cc1C ZINC000121466257 509175414 /nfs/dbraw/zinc/17/54/14/509175414.db2.gz GINVGBHZHBZQCB-OAHLLOKOSA-N -1 3 364.423 2.614 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nccn2CC(C)C)c1C ZINC000182414588 509227161 /nfs/dbraw/zinc/22/71/61/509227161.db2.gz QRGKVUOFWPTKRU-UHFFFAOYSA-N -1 3 366.443 2.543 20 5 FFBDHM COCCn1nc(C)c([N-]c2ncc([N+](=O)[O-])cc2Br)c1C ZINC000267497272 509515815 /nfs/dbraw/zinc/51/58/15/509515815.db2.gz FUHSKGBQWTZWIV-UHFFFAOYSA-N -1 3 370.207 2.956 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000173369984 509558234 /nfs/dbraw/zinc/55/82/34/509558234.db2.gz ORTCMYDONOQAHQ-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000267610186 509565553 /nfs/dbraw/zinc/56/55/53/509565553.db2.gz HJSVVKRFYAZIGR-SNVBAGLBSA-N -1 3 371.440 2.546 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000183257867 509683075 /nfs/dbraw/zinc/68/30/75/509683075.db2.gz FYQLUAWWBILWLZ-UHFFFAOYSA-N -1 3 371.328 2.704 20 5 FFBDHM O=C([N-]O[C@H]1CCCCO1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267950983 509684721 /nfs/dbraw/zinc/68/47/21/509684721.db2.gz QHDDTGSQUBGSMT-JTQLQIEISA-N -1 3 363.139 2.684 20 5 FFBDHM COCc1cccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000189858339 509792466 /nfs/dbraw/zinc/79/24/66/509792466.db2.gz YOWPNBFXHAHPIC-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000174036704 509918618 /nfs/dbraw/zinc/91/86/18/509918618.db2.gz XZBBNPGZCKTFKB-JTQLQIEISA-N -1 3 368.415 2.623 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000187541470 510322446 /nfs/dbraw/zinc/32/24/46/510322446.db2.gz MJLPCYRFTHLGFK-UHFFFAOYSA-N -1 3 358.391 2.601 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000171748190 510345727 /nfs/dbraw/zinc/34/57/27/510345727.db2.gz ZGFRIGMLJJCWQW-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)cc1[N+](=O)[O-] ZINC000187601386 510349635 /nfs/dbraw/zinc/34/96/35/510349635.db2.gz KWTZROXTXCIVFN-ZDUSSCGKSA-N -1 3 358.391 2.744 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000184591812 510404584 /nfs/dbraw/zinc/40/45/84/510404584.db2.gz JSCWGEAAEGSDGG-LBPRGKRZSA-N -1 3 368.386 2.621 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cs1 ZINC000175108624 510486185 /nfs/dbraw/zinc/48/61/85/510486185.db2.gz CVSQDGFODZTVJR-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM O=C([N-]Cc1ccnc(-n2cccn2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000360739076 510944244 /nfs/dbraw/zinc/94/42/44/510944244.db2.gz LHKOXSBSLGQEOQ-UHFFFAOYSA-N -1 3 373.319 2.584 20 5 FFBDHM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1OCCN(C)C ZINC000273785006 511608170 /nfs/dbraw/zinc/60/81/70/511608170.db2.gz RWASINSLPSAYPC-UHFFFAOYSA-N -1 3 373.369 2.589 20 5 FFBDHM O=C([N-]CC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1)C(F)(F)F ZINC000281402529 511833550 /nfs/dbraw/zinc/83/35/50/511833550.db2.gz XQJRMBHHKVAFHC-UHFFFAOYSA-N -1 3 363.311 2.624 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc([N+](=O)[O-])s3)no2)cc1 ZINC000350862755 511895704 /nfs/dbraw/zinc/89/57/04/511895704.db2.gz HPEVLBSYRYUBQN-UHFFFAOYSA-N -1 3 366.380 2.745 20 5 FFBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1[N+](=O)[O-] ZINC000275203219 512074539 /nfs/dbraw/zinc/07/45/39/512074539.db2.gz ICCZEUULJPHERB-UHFFFAOYSA-N -1 3 361.333 2.717 20 5 FFBDHM CC(C)Oc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000412296810 513028770 /nfs/dbraw/zinc/02/87/70/513028770.db2.gz GBKIQNARJDAESL-CQSZACIVSA-N -1 3 360.370 2.631 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@H](C)C2)cc1C ZINC000440077457 513240669 /nfs/dbraw/zinc/24/06/69/513240669.db2.gz LFWFUPGXMAVFSJ-WFASDCNBSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1c([N-]c2ncc(Br)cc2[N+](=O)[O-])cnn1[C@H]1CCOC1 ZINC000450789382 513342656 /nfs/dbraw/zinc/34/26/56/513342656.db2.gz FQZNNYSQNYBDQT-JTQLQIEISA-N -1 3 368.191 2.962 20 5 FFBDHM Cc1cc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000440644816 513369290 /nfs/dbraw/zinc/36/92/90/513369290.db2.gz DOTDCHIQOHAZAT-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000447015469 513384040 /nfs/dbraw/zinc/38/40/40/513384040.db2.gz GMAMSJIXBAFPLU-NSHDSACASA-N -1 3 370.349 2.563 20 5 FFBDHM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447128807 513403140 /nfs/dbraw/zinc/40/31/40/513403140.db2.gz PVMCQWFXYMOZLR-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000416418238 513762889 /nfs/dbraw/zinc/76/28/89/513762889.db2.gz OYPDCDWMOUUUQR-NSHDSACASA-N -1 3 370.349 2.563 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000436168946 513781788 /nfs/dbraw/zinc/78/17/88/513781788.db2.gz YZFDLLMFWAQROL-OAHLLOKOSA-N -1 3 368.386 2.708 20 5 FFBDHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416482347 513794853 /nfs/dbraw/zinc/79/48/53/513794853.db2.gz XXGQAJKHNHTHLQ-SNVBAGLBSA-N -1 3 370.374 2.786 20 5 FFBDHM C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416489803 513798674 /nfs/dbraw/zinc/79/86/74/513798674.db2.gz SJDGFRQUVGDPBO-IONNQARKSA-N -1 3 370.374 2.643 20 5 FFBDHM CSc1nnc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[n-]1 ZINC000436247003 513806114 /nfs/dbraw/zinc/80/61/14/513806114.db2.gz MFNNIECFPCQEGZ-UHFFFAOYSA-N -1 3 351.391 2.774 20 5 FFBDHM CSc1n[n-]c(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n1 ZINC000436247003 513806122 /nfs/dbraw/zinc/80/61/22/513806122.db2.gz MFNNIECFPCQEGZ-UHFFFAOYSA-N -1 3 351.391 2.774 20 5 FFBDHM CSc1nc(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)n[n-]1 ZINC000436247003 513806127 /nfs/dbraw/zinc/80/61/27/513806127.db2.gz MFNNIECFPCQEGZ-UHFFFAOYSA-N -1 3 351.391 2.774 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000416512013 513811356 /nfs/dbraw/zinc/81/13/56/513811356.db2.gz ZZWIXAAMEXQFTH-DGCLKSJQSA-N -1 3 368.436 2.855 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000416532607 513820143 /nfs/dbraw/zinc/82/01/43/513820143.db2.gz WIKHNUOIXGLDQZ-VHSXEESVSA-N -1 3 350.318 2.690 20 5 FFBDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416581838 513846624 /nfs/dbraw/zinc/84/66/24/513846624.db2.gz KUSKCFHOUCBGJY-SECBINFHSA-N -1 3 370.349 2.565 20 5 FFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451642786 513881799 /nfs/dbraw/zinc/88/17/99/513881799.db2.gz YVPAWGUKTQWPBP-JTQLQIEISA-N -1 3 370.349 2.707 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000451674687 513903752 /nfs/dbraw/zinc/90/37/52/513903752.db2.gz ZJGDCRYEPKNQQX-UHFFFAOYSA-N -1 3 369.830 2.899 20 5 FFBDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000451673419 513903863 /nfs/dbraw/zinc/90/38/63/513903863.db2.gz KQIVPRUEDZTHLK-SKDRFNHKSA-N -1 3 350.824 2.588 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)c1C ZINC000443258154 513912275 /nfs/dbraw/zinc/91/22/75/513912275.db2.gz TWPPXACHBKPVMJ-MRXNPFEDSA-N -1 3 358.460 2.677 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C(C)(C)C ZINC000431586855 513936777 /nfs/dbraw/zinc/93/67/77/513936777.db2.gz ULOMBQQSZJCQAU-UHFFFAOYSA-N -1 3 372.443 2.732 20 5 FFBDHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443380326 513954348 /nfs/dbraw/zinc/95/43/48/513954348.db2.gz FULIKCIQXQOYGI-SNVBAGLBSA-N -1 3 370.814 2.863 20 5 FFBDHM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451791072 513983479 /nfs/dbraw/zinc/98/34/79/513983479.db2.gz XDPFWUNRLATIJA-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(OC(F)(F)F)cc1[O-])n1cc([N+](=O)[O-])cn1 ZINC000443562824 513995318 /nfs/dbraw/zinc/99/53/18/513995318.db2.gz VQEQAUHADPMBPV-UHFFFAOYSA-N -1 3 374.275 2.769 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000451815009 513998272 /nfs/dbraw/zinc/99/82/72/513998272.db2.gz GXXLWNJYDMGYSO-HIFRSBDPSA-N -1 3 356.444 2.633 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1N1CCOCC1 ZINC000436873832 514016281 /nfs/dbraw/zinc/01/62/81/514016281.db2.gz XYKRPPZIQJZRRW-UHFFFAOYSA-N -1 3 368.349 2.854 20 5 FFBDHM C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CN1Cc1ccccc1 ZINC000436888763 514021574 /nfs/dbraw/zinc/02/15/74/514021574.db2.gz UBBPYDPWEDQYKG-ZFWWWQNUSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000443732722 514031036 /nfs/dbraw/zinc/03/10/36/514031036.db2.gz MLXXYFPFAUDEKB-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436953273 514046855 /nfs/dbraw/zinc/04/68/55/514046855.db2.gz NQASEVWAHRIKAY-CZUORRHYSA-N -1 3 355.394 2.866 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436953274 514047193 /nfs/dbraw/zinc/04/71/93/514047193.db2.gz NQASEVWAHRIKAY-XJKSGUPXSA-N -1 3 355.394 2.866 20 5 FFBDHM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443939992 514076693 /nfs/dbraw/zinc/07/66/93/514076693.db2.gz DYANPOUSGSFZAA-PELKAZGASA-N -1 3 370.349 2.859 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(cccc3COC)s2)n1 ZINC000427442180 514219242 /nfs/dbraw/zinc/21/92/42/514219242.db2.gz FDCFQGWVCFDGMK-UHFFFAOYSA-N -1 3 361.383 2.820 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)cc1[N+](=O)[O-] ZINC000420699486 514247888 /nfs/dbraw/zinc/24/78/88/514247888.db2.gz BRVGOWZUROVBHD-SNVBAGLBSA-N -1 3 362.498 2.776 20 5 FFBDHM Cc1ccc([C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000428021644 514376571 /nfs/dbraw/zinc/37/65/71/514376571.db2.gz GALRGUXUJUCXIW-MRXNPFEDSA-N -1 3 359.382 2.769 20 5 FFBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000445000565 514385531 /nfs/dbraw/zinc/38/55/31/514385531.db2.gz OCAIYGBYLCEDFF-UHFFFAOYSA-N -1 3 368.143 2.719 20 5 FFBDHM COc1cc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000424275081 514443547 /nfs/dbraw/zinc/44/35/47/514443547.db2.gz ZKVOWQQDUXJOGJ-YMTOWFKASA-N -1 3 374.340 2.890 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000498015153 514726705 /nfs/dbraw/zinc/72/67/05/514726705.db2.gz IMOOALKHMPXMIE-UHFFFAOYSA-N -1 3 373.394 2.743 20 5 FFBDHM CC1CCC(OCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1 ZINC000479857024 514746825 /nfs/dbraw/zinc/74/68/25/514746825.db2.gz CQRZKURIYXRHEI-UHFFFAOYSA-N -1 3 358.398 2.941 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000467059609 514881278 /nfs/dbraw/zinc/88/12/78/514881278.db2.gz UMLDPDKMMRJPLL-RYUDHWBXSA-N -1 3 362.473 2.835 20 5 FFBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000480465383 514968578 /nfs/dbraw/zinc/96/85/78/514968578.db2.gz PQRKHEYHZXLTGY-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000480673634 515040760 /nfs/dbraw/zinc/04/07/60/515040760.db2.gz RXMOPGFETJVIGB-RHSMWYFYSA-N -1 3 362.407 2.651 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000456347746 515117515 /nfs/dbraw/zinc/11/75/15/515117515.db2.gz UXTSNIJSRKMVEW-OAHLLOKOSA-N -1 3 369.421 2.895 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462599564 515146297 /nfs/dbraw/zinc/14/62/97/515146297.db2.gz BFIGXHJBVLVUSR-CYBMUJFWSA-N -1 3 366.443 2.683 20 5 FFBDHM Cc1nn(C)c2cc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc12 ZINC000462641459 515166723 /nfs/dbraw/zinc/16/67/23/515166723.db2.gz QXFQVPPTNSNBML-UHFFFAOYSA-N -1 3 350.338 2.919 20 5 FFBDHM CC(=C([O-])c1cnc2[nH]cccc1-2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477037746 515297554 /nfs/dbraw/zinc/29/75/54/515297554.db2.gz WSTAGPMBQLUXSR-JTQLQIEISA-N -1 3 359.363 2.516 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3CCN(Cc4ccccc4)C3)[n-]2)cc1 ZINC000486429121 515479565 /nfs/dbraw/zinc/47/95/65/515479565.db2.gz FAJAQCYDSCKDLP-MRXNPFEDSA-N -1 3 365.393 2.753 20 5 FFBDHM COc1cc(CN[C@@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])cc1[O-] ZINC000492081930 515499441 /nfs/dbraw/zinc/49/94/41/515499441.db2.gz MIDZRCBVNZRWLI-CYBMUJFWSA-N -1 3 361.373 2.817 20 5 FFBDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000510363079 515517055 /nfs/dbraw/zinc/51/70/55/515517055.db2.gz KKPIBXDGDOIKIG-STQMWFEESA-N -1 3 367.427 2.596 20 5 FFBDHM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000468848692 515548641 /nfs/dbraw/zinc/54/86/41/515548641.db2.gz FJOYGIIVTHGFNP-UHFFFAOYSA-N -1 3 357.775 2.766 20 5 FFBDHM O=C(Nc1ccc(Cn2cccn2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000486588056 515552124 /nfs/dbraw/zinc/55/21/24/515552124.db2.gz UBIGWNRKIPGYEJ-UHFFFAOYSA-N -1 3 362.349 2.968 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc2oc(=O)[nH]c2c1 ZINC000493320617 515622073 /nfs/dbraw/zinc/62/20/73/515622073.db2.gz NIMYMUSCHKYAHI-UHFFFAOYSA-N -1 3 365.305 2.506 20 5 FFBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469051072 515647031 /nfs/dbraw/zinc/64/70/31/515647031.db2.gz VGCJWIROOCKMPI-BXUZGUMPSA-N -1 3 370.427 2.629 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000493895680 515679071 /nfs/dbraw/zinc/67/90/71/515679071.db2.gz ZGSPZKCRNUUTMC-ZDUSSCGKSA-N -1 3 368.411 2.861 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C1CCCCC1 ZINC000469179277 515706805 /nfs/dbraw/zinc/70/68/05/515706805.db2.gz QPIUZNRGYHKCEQ-LLVKDONJSA-N -1 3 370.427 2.629 20 5 FFBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469222131 515728720 /nfs/dbraw/zinc/72/87/20/515728720.db2.gz ZDAATYKADFVFRV-SFHVURJKSA-N -1 3 355.394 2.867 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000488024646 516085675 /nfs/dbraw/zinc/08/56/75/516085675.db2.gz PXCBONCZWKZELK-UHFFFAOYSA-N -1 3 373.315 2.987 20 5 FFBDHM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000507258943 516145683 /nfs/dbraw/zinc/14/56/83/516145683.db2.gz MLBKKGGZKQKCLV-UHFFFAOYSA-N -1 3 353.294 2.530 20 5 FFBDHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000522973863 516363081 /nfs/dbraw/zinc/36/30/81/516363081.db2.gz OYIGCOHSAJLCDS-LLVKDONJSA-N -1 3 372.443 2.859 20 5 FFBDHM CCOC(=O)c1cnc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000539963542 516375263 /nfs/dbraw/zinc/37/52/63/516375263.db2.gz RAUICDMKUVOWDT-UHFFFAOYSA-N -1 3 369.337 2.604 20 5 FFBDHM CSc1cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccn1 ZINC000540070991 516430065 /nfs/dbraw/zinc/43/00/65/516430065.db2.gz NHNRIDPFRKWCIU-UHFFFAOYSA-N -1 3 367.452 2.807 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1c2ccc(F)cc2O[C@@H]1C ZINC000557860427 516476604 /nfs/dbraw/zinc/47/66/04/516476604.db2.gz YZQJJKAVACIBOY-BMIGLBTASA-N -1 3 366.370 2.843 20 5 FFBDHM COc1cc(CNC2(C(=O)[O-])CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000551055639 516544226 /nfs/dbraw/zinc/54/42/26/516544226.db2.gz SRIHYJHPBCRITN-UHFFFAOYSA-N -1 3 372.377 2.889 20 5 FFBDHM COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000536898194 516971324 /nfs/dbraw/zinc/97/13/24/516971324.db2.gz UVFIXAFLYBOGLX-UHFFFAOYSA-N -1 3 364.379 2.632 20 5 FFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000519890383 517235346 /nfs/dbraw/zinc/23/53/46/517235346.db2.gz WUODPCGPGSXPCF-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000519890139 517235441 /nfs/dbraw/zinc/23/54/41/517235441.db2.gz JFYQGVZORAWPNH-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000538220462 517510517 /nfs/dbraw/zinc/51/05/17/517510517.db2.gz NKLHYNMNMKFWLB-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM COc1ccc(CCC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000515925887 517512588 /nfs/dbraw/zinc/51/25/88/517512588.db2.gz XKFCBFUVMOBYTM-UHFFFAOYSA-N -1 3 364.423 2.823 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)cc1C ZINC000533553477 517521857 /nfs/dbraw/zinc/52/18/57/517521857.db2.gz RXOJCHXSMVBQNS-OAHLLOKOSA-N -1 3 364.423 2.532 20 5 FFBDHM CN(C)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000542807052 517755834 /nfs/dbraw/zinc/75/58/34/517755834.db2.gz INOGYJQJGKYLBX-INIZCTEOSA-N -1 3 363.801 2.987 20 5 FFBDHM COc1cc(CN(CC(=O)[O-])C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000563283001 517791401 /nfs/dbraw/zinc/79/14/01/517791401.db2.gz MEOZTRABPAOKKR-UHFFFAOYSA-N -1 3 362.329 2.542 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1C ZINC000546885368 517903599 /nfs/dbraw/zinc/90/35/99/517903599.db2.gz VSUHWWGJYSSEHW-UHFFFAOYSA-N -1 3 352.334 2.975 20 5 FFBDHM Cc1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1[N+](=O)[O-] ZINC000547044375 517966647 /nfs/dbraw/zinc/96/66/47/517966647.db2.gz XKOJGVJNGPDBNK-UHFFFAOYSA-N -1 3 374.378 2.992 20 5 FFBDHM O=[N+]([O-])c1cc(CSc2n[n-]c(-c3ccccn3)n2)c2c(c1)COCO2 ZINC000522684037 518146620 /nfs/dbraw/zinc/14/66/20/518146620.db2.gz KVVDIACWAWAQBA-UHFFFAOYSA-N -1 3 371.378 2.934 20 5 FFBDHM C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000584783357 518476308 /nfs/dbraw/zinc/47/63/08/518476308.db2.gz QSLNKKISIWUCIF-CHWSQXEVSA-N -1 3 351.403 2.594 20 5 FFBDHM COC(=O)c1ccc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000573113097 518514032 /nfs/dbraw/zinc/51/40/32/518514032.db2.gz DVPDAQVTMBWCAF-UHFFFAOYSA-N -1 3 369.127 2.989 20 5 FFBDHM CC(=O)c1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1[O-] ZINC000582514015 518789852 /nfs/dbraw/zinc/78/98/52/518789852.db2.gz VBLDMUZEWQOSSA-UHFFFAOYSA-N -1 3 366.333 2.941 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C)CCCCC1 ZINC000571448913 519099893 /nfs/dbraw/zinc/09/98/93/519099893.db2.gz ZSRKMZLJDBCOBW-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1F ZINC000589933674 519108106 /nfs/dbraw/zinc/10/81/06/519108106.db2.gz NFAXDZRHCASPLC-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM O=C(c1ccc2[nH][n-]c(=O)c2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000590447705 519236955 /nfs/dbraw/zinc/23/69/55/519236955.db2.gz ZZJPFGIMQDIFTB-UHFFFAOYSA-N -1 3 352.350 2.982 20 5 FFBDHM O=C([N-]c1ccc2c(c1F)CCNC2=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000583949473 519513266 /nfs/dbraw/zinc/51/32/66/519513266.db2.gz BTIHIIFIMDHSMZ-UHFFFAOYSA-N -1 3 363.732 2.926 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)cc1C ZINC000594483931 519993009 /nfs/dbraw/zinc/99/30/09/519993009.db2.gz LFRNTHYRIAXOME-HUUCEWRRSA-N -1 3 367.471 2.507 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594484873 519995323 /nfs/dbraw/zinc/99/53/23/519995323.db2.gz WLDZUALZSZYCNI-OLZOCXBDSA-N -1 3 373.862 2.543 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCOc2ccccc21 ZINC000609202069 520229651 /nfs/dbraw/zinc/22/96/51/520229651.db2.gz HHLOOGGTSIEZKJ-OAHLLOKOSA-N -1 3 364.361 2.912 20 5 FFBDHM COc1cc(CNCc2cccnc2N2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000594957047 520230356 /nfs/dbraw/zinc/23/03/56/520230356.db2.gz LZHUUTHMBRONPH-UHFFFAOYSA-N -1 3 358.398 2.594 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c(F)c1 ZINC000609545722 520353508 /nfs/dbraw/zinc/35/35/08/520353508.db2.gz YJIYIDTXILPMPF-GFCCVEGCSA-N -1 3 350.371 2.742 20 5 FFBDHM COc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000604019195 520428643 /nfs/dbraw/zinc/42/86/43/520428643.db2.gz RWGKHRREHQHRBR-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000604042034 520434844 /nfs/dbraw/zinc/43/48/44/520434844.db2.gz HQNPVBMQIREYMM-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000600801503 520476551 /nfs/dbraw/zinc/47/65/51/520476551.db2.gz QSIXIQLVFJOCPI-MLGOLLRUSA-N -1 3 358.398 2.538 20 5 FFBDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000598195882 520487036 /nfs/dbraw/zinc/48/70/36/520487036.db2.gz VLUZDVLRMFKEQI-KRWDZBQOSA-N -1 3 369.421 2.689 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000613475878 520521690 /nfs/dbraw/zinc/52/16/90/520521690.db2.gz ZLHAXFOZLOGTGZ-DZGCQCFKSA-N -1 3 352.437 2.973 20 5 FFBDHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000610136576 520555283 /nfs/dbraw/zinc/55/52/83/520555283.db2.gz ZPPYDNCUGQNYIW-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCn2cnc3ccccc32)cc1C ZINC000604430183 520559763 /nfs/dbraw/zinc/55/97/63/520559763.db2.gz ZNUABJPAVZVSRP-UHFFFAOYSA-N -1 3 374.422 2.540 20 5 FFBDHM O=C([O-])[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000595886609 520793297 /nfs/dbraw/zinc/79/32/97/520793297.db2.gz YBMHNEZQFHGQSR-QGZVFWFLSA-N -1 3 369.377 2.607 20 5 FFBDHM C[C@@H]1CN(Cc2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000596077747 520898007 /nfs/dbraw/zinc/89/80/07/520898007.db2.gz ATZYRZKUIJRMLI-ZIAGYGMSSA-N -1 3 372.425 2.917 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000593560130 521077137 /nfs/dbraw/zinc/07/71/37/521077137.db2.gz PUFWLOLJGRTVFT-ZJUUUORDSA-N -1 3 367.349 2.637 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000619473026 521586299 /nfs/dbraw/zinc/58/62/99/521586299.db2.gz XDIQELJFBFJTHD-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000619473322 521586317 /nfs/dbraw/zinc/58/63/17/521586317.db2.gz DGRLXMQGFIFDGV-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000619482335 521591501 /nfs/dbraw/zinc/59/15/01/521591501.db2.gz QBSHMVQIJBNBLY-CYBMUJFWSA-N -1 3 366.370 2.708 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000473849638 561059200 /nfs/dbraw/zinc/05/92/00/561059200.db2.gz LIMVLSMHZAVBHH-AWEZNQCLSA-N -1 3 369.337 2.676 20 5 FFBDHM Cc1cc(C)cc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822196716 599063481 /nfs/dbraw/zinc/06/34/81/599063481.db2.gz ULXKPKLJSBFCSZ-LBPRGKRZSA-N -1 3 353.386 2.830 20 5 FFBDHM Cc1cc(C)cc(C[C@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822196716 599063483 /nfs/dbraw/zinc/06/34/83/599063483.db2.gz ULXKPKLJSBFCSZ-LBPRGKRZSA-N -1 3 353.386 2.830 20 5 FFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000736678440 599184745 /nfs/dbraw/zinc/18/47/45/599184745.db2.gz CJEQQWTWEHWCJQ-UHFFFAOYSA-N -1 3 358.383 2.960 20 5 FFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000736678440 599184746 /nfs/dbraw/zinc/18/47/46/599184746.db2.gz CJEQQWTWEHWCJQ-UHFFFAOYSA-N -1 3 358.383 2.960 20 5 FFBDHM CCc1c(C)sc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000736674415 599186515 /nfs/dbraw/zinc/18/65/15/599186515.db2.gz CJWGJYDBBFBOOH-UHFFFAOYSA-N -1 3 372.410 2.888 20 5 FFBDHM CCc1c(C)sc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000736674415 599186518 /nfs/dbraw/zinc/18/65/18/599186518.db2.gz CJWGJYDBBFBOOH-UHFFFAOYSA-N -1 3 372.410 2.888 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc2c1OCCCO2 ZINC000823630110 607307472 /nfs/dbraw/zinc/30/74/72/607307472.db2.gz SBJQBJPLMOBAFL-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc2c1OCCCO2 ZINC000823630110 607307473 /nfs/dbraw/zinc/30/74/73/607307473.db2.gz SBJQBJPLMOBAFL-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000823651963 599285944 /nfs/dbraw/zinc/28/59/44/599285944.db2.gz UBIYEIHIKJBMOC-INIZCTEOSA-N -1 3 374.364 2.766 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@@H](c2ccccc2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000823651963 599285946 /nfs/dbraw/zinc/28/59/46/599285946.db2.gz UBIYEIHIKJBMOC-INIZCTEOSA-N -1 3 374.364 2.766 20 5 FFBDHM Cc1c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822104924 607321983 /nfs/dbraw/zinc/32/19/83/607321983.db2.gz SFZDHGKOEFPBKL-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822104924 607321984 /nfs/dbraw/zinc/32/19/84/607321984.db2.gz SFZDHGKOEFPBKL-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738370194 598246746 /nfs/dbraw/zinc/24/67/46/598246746.db2.gz NXGFXVZBWRKURW-GFCCVEGCSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738370194 598246747 /nfs/dbraw/zinc/24/67/47/598246747.db2.gz NXGFXVZBWRKURW-GFCCVEGCSA-N -1 3 354.345 2.908 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737282517 598490512 /nfs/dbraw/zinc/49/05/12/598490512.db2.gz FKPVSPNOQUKJSE-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737282517 598490513 /nfs/dbraw/zinc/49/05/13/598490513.db2.gz FKPVSPNOQUKJSE-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM O=[N+]([O-])c1cnc(Sc2c(F)cc(F)cc2F)c(-c2nnn[n-]2)c1 ZINC000738374309 598500148 /nfs/dbraw/zinc/50/01/48/598500148.db2.gz NJHURPOGJLODES-UHFFFAOYSA-N -1 3 354.273 2.738 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000738370961 598509252 /nfs/dbraw/zinc/50/92/52/598509252.db2.gz YUZFYMRTZKFSOS-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000738370961 598509255 /nfs/dbraw/zinc/50/92/55/598509255.db2.gz YUZFYMRTZKFSOS-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc([N+](=O)[O-])c1 ZINC000737239884 598709661 /nfs/dbraw/zinc/70/96/61/598709661.db2.gz CHYNICCBURDCNJ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc([N+](=O)[O-])c1 ZINC000737239884 598709663 /nfs/dbraw/zinc/70/96/63/598709663.db2.gz CHYNICCBURDCNJ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nnn[n-]3)cc2Cl)nc2sccn21 ZINC000823629976 599317625 /nfs/dbraw/zinc/31/76/25/599317625.db2.gz ORHLUGYUKMNZFD-UHFFFAOYSA-N -1 3 363.746 2.930 20 5 FFBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nn[n-]n3)cc2Cl)nc2sccn21 ZINC000823629976 599317627 /nfs/dbraw/zinc/31/76/27/599317627.db2.gz ORHLUGYUKMNZFD-UHFFFAOYSA-N -1 3 363.746 2.930 20 5 FFBDHM O=[N+]([O-])c1cnc(Sc2nc3ccccc3s2)c(-c2nnn[n-]2)c1 ZINC000738373707 599321488 /nfs/dbraw/zinc/32/14/88/599321488.db2.gz FWXIPQVCDWSBTG-UHFFFAOYSA-N -1 3 357.380 2.931 20 5 FFBDHM CC(C)(O)COc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000735680842 599349561 /nfs/dbraw/zinc/34/95/61/599349561.db2.gz ZVAGGIGGBPGUEX-UHFFFAOYSA-N -1 3 370.369 2.668 20 5 FFBDHM CC(C)(O)COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000735680842 599349563 /nfs/dbraw/zinc/34/95/63/599349563.db2.gz ZVAGGIGGBPGUEX-UHFFFAOYSA-N -1 3 370.369 2.668 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(-c2nn[n-]n2)ccc1F ZINC000821426298 599456179 /nfs/dbraw/zinc/45/61/79/599456179.db2.gz BRCWLPOZWUDHEF-UHFFFAOYSA-N -1 3 372.360 2.603 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000823640137 599457659 /nfs/dbraw/zinc/45/76/59/599457659.db2.gz UYSAUQUDPVQZFF-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N(CC3CC3)CC3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823646071 599560855 /nfs/dbraw/zinc/56/08/55/599560855.db2.gz ZLYVSKIGVSMTLF-UHFFFAOYSA-N -1 3 365.397 2.950 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N(CC3CC3)CC3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823646071 599560856 /nfs/dbraw/zinc/56/08/56/599560856.db2.gz ZLYVSKIGVSMTLF-UHFFFAOYSA-N -1 3 365.397 2.950 20 5 FFBDHM CN(CCn1ccc([N+](=O)[O-])n1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830800706 601376838 /nfs/dbraw/zinc/37/68/38/601376838.db2.gz UUBLJQIHGLULOE-CYBMUJFWSA-N -1 3 373.196 2.856 20 5 FFBDHM O=C([O-])CC1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000833205697 601555375 /nfs/dbraw/zinc/55/53/75/601555375.db2.gz LGWRCWAJEHBPHF-UHFFFAOYSA-N -1 3 360.370 2.912 20 5 FFBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000826263339 607531224 /nfs/dbraw/zinc/53/12/24/607531224.db2.gz WINNQZTYSCUSFI-ZDUSSCGKSA-N -1 3 372.410 2.612 20 5 FFBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000826263339 607531225 /nfs/dbraw/zinc/53/12/25/607531225.db2.gz WINNQZTYSCUSFI-ZDUSSCGKSA-N -1 3 372.410 2.612 20 5 FFBDHM COc1cc(CNCC2(NC(=O)[O-])CCCCCC2)c([N+](=O)[O-])cc1O ZINC000739859749 602648764 /nfs/dbraw/zinc/64/87/64/602648764.db2.gz IJMRLTXWGFERID-UHFFFAOYSA-N -1 3 367.402 2.759 20 5 FFBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826470498 607594669 /nfs/dbraw/zinc/59/46/69/607594669.db2.gz RYTNFPNBDROYIG-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826470498 607594671 /nfs/dbraw/zinc/59/46/71/607594671.db2.gz RYTNFPNBDROYIG-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823639863 606172916 /nfs/dbraw/zinc/17/29/16/606172916.db2.gz JNJUUKGRIFEKDV-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc2oc(CSc3cc(-c4nnn[n-]4)ccn3)nc2c1 ZINC000823645973 606311764 /nfs/dbraw/zinc/31/17/64/606311764.db2.gz YLFXZAYBDBDCCP-UHFFFAOYSA-N -1 3 355.339 2.603 20 5 FFBDHM O=[N+]([O-])c1ccc2oc(CSc3cc(-c4nn[n-]n4)ccn3)nc2c1 ZINC000823645973 606311765 /nfs/dbraw/zinc/31/17/65/606311765.db2.gz YLFXZAYBDBDCCP-UHFFFAOYSA-N -1 3 355.339 2.603 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCCSC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645595 606402267 /nfs/dbraw/zinc/40/22/67/606402267.db2.gz UONGJXJMMFSANC-VIFPVBQESA-N -1 3 357.399 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCCSC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645595 606402268 /nfs/dbraw/zinc/40/22/68/606402268.db2.gz UONGJXJMMFSANC-VIFPVBQESA-N -1 3 357.399 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823645066 606448024 /nfs/dbraw/zinc/44/80/24/606448024.db2.gz NIFHPWGXNFGFMN-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823645066 606448025 /nfs/dbraw/zinc/44/80/25/606448025.db2.gz NIFHPWGXNFGFMN-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820501372 606507979 /nfs/dbraw/zinc/50/79/79/606507979.db2.gz IYJUVFPMSWMAQT-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820501372 606507980 /nfs/dbraw/zinc/50/79/80/606507980.db2.gz IYJUVFPMSWMAQT-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822271400 606642917 /nfs/dbraw/zinc/64/29/17/606642917.db2.gz ZALGYPGYMYQVBK-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822271400 606642918 /nfs/dbraw/zinc/64/29/18/606642918.db2.gz ZALGYPGYMYQVBK-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823630311 606728637 /nfs/dbraw/zinc/72/86/37/606728637.db2.gz WSKNHRQIYHRSPD-CYBMUJFWSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000823630311 606728639 /nfs/dbraw/zinc/72/86/39/606728639.db2.gz WSKNHRQIYHRSPD-CYBMUJFWSA-N -1 3 354.345 2.908 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820236155 606946120 /nfs/dbraw/zinc/94/61/20/606946120.db2.gz YJRKMMMYEVMKEX-ZBEGNZNMSA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820236155 606946122 /nfs/dbraw/zinc/94/61/22/606946122.db2.gz YJRKMMMYEVMKEX-ZBEGNZNMSA-N -1 3 354.370 2.699 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822929134 606990413 /nfs/dbraw/zinc/99/04/13/606990413.db2.gz QDEQDOOKYGQFRN-XBXARRHUSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822929134 606990415 /nfs/dbraw/zinc/99/04/15/606990415.db2.gz QDEQDOOKYGQFRN-XBXARRHUSA-N -1 3 369.312 2.671 20 5 FFBDHM Cc1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000822299926 607032415 /nfs/dbraw/zinc/03/24/15/607032415.db2.gz ZMFCLOFIANXUQA-MRXNPFEDSA-N -1 3 351.370 2.820 20 5 FFBDHM Cc1cccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000822299926 607032416 /nfs/dbraw/zinc/03/24/16/607032416.db2.gz ZMFCLOFIANXUQA-MRXNPFEDSA-N -1 3 351.370 2.820 20 5 FFBDHM COc1cccc2c1CC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821877802 607119767 /nfs/dbraw/zinc/11/97/67/607119767.db2.gz VVDFOJQDMSBSNR-CYBMUJFWSA-N -1 3 352.354 2.883 20 5 FFBDHM COc1cccc2c1CC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821877802 607119769 /nfs/dbraw/zinc/11/97/69/607119769.db2.gz VVDFOJQDMSBSNR-CYBMUJFWSA-N -1 3 352.354 2.883 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccc(-n3ccnc3)cc2)cc1-c1nnn[n-]1 ZINC000826499191 607842470 /nfs/dbraw/zinc/84/24/70/607842470.db2.gz ZIPONMPXUJNUGU-UHFFFAOYSA-N -1 3 362.353 2.573 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272657 607873159 /nfs/dbraw/zinc/87/31/59/607873159.db2.gz VBZZGTCDFOSYBY-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272657 607873160 /nfs/dbraw/zinc/87/31/60/607873160.db2.gz VBZZGTCDFOSYBY-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521810 608151058 /nfs/dbraw/zinc/15/10/58/608151058.db2.gz NDTXVBCOCYDCHV-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521810 608151059 /nfs/dbraw/zinc/15/10/59/608151059.db2.gz NDTXVBCOCYDCHV-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824522096 608156789 /nfs/dbraw/zinc/15/67/89/608156789.db2.gz QAGBFGSNHGZAPE-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824522096 608156791 /nfs/dbraw/zinc/15/67/91/608156791.db2.gz QAGBFGSNHGZAPE-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1Cc2ccccc21 ZINC000826451242 608162260 /nfs/dbraw/zinc/16/22/60/608162260.db2.gz XKHCPSMCPILVQG-LLVKDONJSA-N -1 3 370.756 2.707 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1Cc2ccccc21 ZINC000826451242 608162263 /nfs/dbraw/zinc/16/22/63/608162263.db2.gz XKHCPSMCPILVQG-LLVKDONJSA-N -1 3 370.756 2.707 20 5 FFBDHM COc1cc(F)c([N+](=O)[O-])c(N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826179888 608192522 /nfs/dbraw/zinc/19/25/22/608192522.db2.gz JNTHXKOXDMMMEB-UHFFFAOYSA-N -1 3 356.317 2.617 20 5 FFBDHM COc1cc(F)c([N+](=O)[O-])c(N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826179888 608192523 /nfs/dbraw/zinc/19/25/23/608192523.db2.gz JNTHXKOXDMMMEB-UHFFFAOYSA-N -1 3 356.317 2.617 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000826174305 608324543 /nfs/dbraw/zinc/32/45/43/608324543.db2.gz RASAOWQNAHUWIF-UHFFFAOYSA-N -1 3 350.338 2.787 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000826174305 608324545 /nfs/dbraw/zinc/32/45/45/608324545.db2.gz RASAOWQNAHUWIF-UHFFFAOYSA-N -1 3 350.338 2.787 20 5 FFBDHM C[C@]1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCc2ccccc21 ZINC000824832655 608411424 /nfs/dbraw/zinc/41/14/24/608411424.db2.gz UZHVDPLCUKBOBN-GOSISDBHSA-N -1 3 365.397 2.876 20 5 FFBDHM C[C@]1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCc2ccccc21 ZINC000824832655 608411426 /nfs/dbraw/zinc/41/14/26/608411426.db2.gz UZHVDPLCUKBOBN-GOSISDBHSA-N -1 3 365.397 2.876 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824479401 608432652 /nfs/dbraw/zinc/43/26/52/608432652.db2.gz MZEZDHVCEVUUKU-IIANPFDCSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824479401 608432654 /nfs/dbraw/zinc/43/26/54/608432654.db2.gz MZEZDHVCEVUUKU-IIANPFDCSA-N -1 3 364.365 2.666 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826291017 608573598 /nfs/dbraw/zinc/57/35/98/608573598.db2.gz LBQXXMARWLGXDW-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826291017 608573599 /nfs/dbraw/zinc/57/35/99/608573599.db2.gz LBQXXMARWLGXDW-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826269500 609244025 /nfs/dbraw/zinc/24/40/25/609244025.db2.gz OEFWPIOCXIQQPL-RMKNXTFCSA-N -1 3 350.338 2.735 20 5 FFBDHM Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826269500 609244027 /nfs/dbraw/zinc/24/40/27/609244027.db2.gz OEFWPIOCXIQQPL-RMKNXTFCSA-N -1 3 350.338 2.735 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826277130 609317081 /nfs/dbraw/zinc/31/70/81/609317081.db2.gz KLQAAHZBSQIBOI-UHFFFAOYSA-N -1 3 374.307 2.814 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826277130 609317082 /nfs/dbraw/zinc/31/70/82/609317082.db2.gz KLQAAHZBSQIBOI-UHFFFAOYSA-N -1 3 374.307 2.814 20 5 FFBDHM CC(=CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823943497 609493556 /nfs/dbraw/zinc/49/35/56/609493556.db2.gz PVSRAGXHAOASLY-ZRDIBKRKSA-N -1 3 364.365 2.841 20 5 FFBDHM CC(=CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823943497 609493558 /nfs/dbraw/zinc/49/35/58/609493558.db2.gz PVSRAGXHAOASLY-ZRDIBKRKSA-N -1 3 364.365 2.841 20 5 FFBDHM COC(=O)c1cc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)c[nH]1 ZINC000124979350 728676908 /nfs/dbraw/zinc/67/69/08/728676908.db2.gz MGFHHUBJGPJMFO-UHFFFAOYSA-N -1 3 362.323 2.678 20 5 FFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccc(Cl)cc1 ZINC000125507301 728684436 /nfs/dbraw/zinc/68/44/36/728684436.db2.gz DTUQSUQAJIUJGD-VQHVLOKHSA-N -1 3 354.775 2.560 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000126466030 728703240 /nfs/dbraw/zinc/70/32/40/728703240.db2.gz QFIVPEXJFHPNQA-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM O=C(Nc1nnc(C=Cc2ccco2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000135260550 728736924 /nfs/dbraw/zinc/73/69/24/728736924.db2.gz HZLLWKXNGMYFQY-ONEGZZNKSA-N -1 3 359.323 2.563 20 5 FFBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000739971070 735064036 /nfs/dbraw/zinc/06/40/36/735064036.db2.gz BHQHUYCVGNOEMP-UHFFFAOYSA-N -1 3 369.830 2.944 20 5 FFBDHM COC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1[O-] ZINC000759708674 736587787 /nfs/dbraw/zinc/58/77/87/736587787.db2.gz NROOKEFYPIAJCU-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000760893000 736677717 /nfs/dbraw/zinc/67/77/17/736677717.db2.gz FDGJBEKWLBKPKO-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM O=C1OCc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3Cl)cc21 ZINC000811832121 741564833 /nfs/dbraw/zinc/56/48/33/741564833.db2.gz LLOCOGIBKGHLBW-UHFFFAOYSA-N -1 3 368.754 2.719 20 5 FFBDHM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)o1 ZINC000832494172 745707840 /nfs/dbraw/zinc/70/78/40/745707840.db2.gz IAXTVSSFSGTFSE-UHFFFAOYSA-N -1 3 373.818 2.976 20 5 FFBDHM CC[C@@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000843617872 747867125 /nfs/dbraw/zinc/86/71/25/747867125.db2.gz GXYBJKVAHBTAOQ-ZWNOBZJWSA-N -1 3 358.341 2.781 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000848510492 748946369 /nfs/dbraw/zinc/94/63/69/748946369.db2.gz TXEPIJRAFUUAEN-CHWSQXEVSA-N -1 3 373.862 2.543 20 5 FFBDHM O=C([N-]C[C@@H]1CC1(Cl)Cl)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580420 748964718 /nfs/dbraw/zinc/96/47/18/748964718.db2.gz RIQVBUKTHYHIBD-ZETCQYMHSA-N -1 3 355.124 2.876 20 5 FFBDHM CC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823942829 946524463 /nfs/dbraw/zinc/52/44/63/946524463.db2.gz JWJKDOBXYQDBJW-ZHACJKMWSA-N -1 3 351.322 2.784 20 5 FFBDHM CC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823942829 946524466 /nfs/dbraw/zinc/52/44/66/946524466.db2.gz JWJKDOBXYQDBJW-ZHACJKMWSA-N -1 3 351.322 2.784 20 5 FFBDHM COc1cccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1[N+](=O)[O-] ZINC000785019808 962832530 /nfs/dbraw/zinc/83/25/30/962832530.db2.gz ULMRBWVIXGHUIA-UHFFFAOYSA-N -1 3 371.305 2.716 20 5 FFBDHM COc1c([O-])ccc(C[NH2+]C2(CCC(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC001599344175 997972890 /nfs/dbraw/zinc/97/28/90/997972890.db2.gz FBBFWCNDFRMUOL-UHFFFAOYSA-N -1 3 352.387 2.966 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001194097880 1004659444 /nfs/dbraw/zinc/65/94/44/1004659444.db2.gz SCMCRWJKGHXNPC-HNNXBMFYSA-N -1 3 362.407 2.676 20 5 FFBDHM COc1cc(CNc2ccc(NC(C)=O)c(OC)c2)c([N+](=O)[O-])cc1[O-] ZINC001199440122 1004944439 /nfs/dbraw/zinc/94/44/39/1004944439.db2.gz JTJLYEDLVZZZER-UHFFFAOYSA-N -1 3 361.354 2.888 20 5 FFBDHM Cc1cccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)n1 ZINC001212838082 1009472494 /nfs/dbraw/zinc/47/24/94/1009472494.db2.gz JHKRVUCWAQRCGG-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1cccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)n1 ZINC001212838082 1009472504 /nfs/dbraw/zinc/47/25/04/1009472504.db2.gz JHKRVUCWAQRCGG-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM COc1c(F)cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1F ZINC001212843969 1009544589 /nfs/dbraw/zinc/54/45/89/1009544589.db2.gz HASZETFAPXDCJJ-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000777996373 1020454771 /nfs/dbraw/zinc/45/47/71/1020454771.db2.gz VSKPQNGWKDSLBC-LLVKDONJSA-N -1 3 363.320 2.830 20 5 FFBDHM O=C(Oc1cccc2c1CCCC(=O)N2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000803086517 1020610863 /nfs/dbraw/zinc/61/08/63/1020610863.db2.gz BMXBAFGTWMLTRW-UHFFFAOYSA-N -1 3 366.333 2.965 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)c(F)cc1F ZINC001124713570 1024365463 /nfs/dbraw/zinc/36/54/63/1024365463.db2.gz MYJSOZCLCKVRAM-UHFFFAOYSA-N -1 3 351.265 2.615 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837697341 1025969059 /nfs/dbraw/zinc/96/90/59/1025969059.db2.gz LIOOCLRAIVSRBF-UHFFFAOYSA-N -1 3 359.338 2.724 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC001212935950 1027436941 /nfs/dbraw/zinc/43/69/41/1027436941.db2.gz WKEVZYNJDOEVGO-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153426864 1027876351 /nfs/dbraw/zinc/87/63/51/1027876351.db2.gz JNLCXAVCWQTWCR-UHFFFAOYSA-N -1 3 363.373 2.656 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC001160948883 1027937948 /nfs/dbraw/zinc/93/79/48/1027937948.db2.gz QOOCBHXPRFITOP-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC001160948883 1027937951 /nfs/dbraw/zinc/93/79/51/1027937951.db2.gz QOOCBHXPRFITOP-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM Cc1c(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000784476184 1030639761 /nfs/dbraw/zinc/63/97/61/1030639761.db2.gz GINZBXSUSCMVOF-UHFFFAOYSA-N -1 3 362.346 2.719 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225660025 1034352917 /nfs/dbraw/zinc/35/29/17/1034352917.db2.gz BTOBNHFJOMLTTC-JQWIXIFHSA-N -1 3 371.365 2.812 20 5 FFBDHM C[C@@H]1C[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CN1C(=O)OC(C)(C)C ZINC001227693059 1035677640 /nfs/dbraw/zinc/67/76/40/1035677640.db2.gz JRHSYUWSVHDFTJ-ZJUUUORDSA-N -1 3 363.374 2.643 20 5 FFBDHM O=C(OCc1ccccc1)C1CC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227692970 1035677726 /nfs/dbraw/zinc/67/77/26/1035677726.db2.gz HSORVERLCFPHKM-UHFFFAOYSA-N -1 3 368.349 2.767 20 5 FFBDHM Cc1[n-]c(=O)cc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)c1[N+](=O)[O-] ZINC001228690305 1036262505 /nfs/dbraw/zinc/26/25/05/1036262505.db2.gz ZWDJPJURTGVYBV-UHFFFAOYSA-N -1 3 374.353 2.960 20 5 FFBDHM O=[N+]([O-])c1ccc([O-])c(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001229396219 1036649813 /nfs/dbraw/zinc/64/98/13/1036649813.db2.gz RKOZGCRLPHJWFZ-KRWDZBQOSA-N -1 3 358.394 2.970 20 5 FFBDHM COC(=O)c1cnc(=O)[n-]c1O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001229871607 1036950231 /nfs/dbraw/zinc/95/02/31/1036950231.db2.gz YTCBZYHALQBAQI-SNVBAGLBSA-N -1 3 373.243 2.559 20 5 FFBDHM COc1cc([O-])c(C)c(O[C@H](C)Cn2c(C)ncc2[N+](=O)[O-])c1C(C)=O ZINC001234791216 1037183344 /nfs/dbraw/zinc/18/33/44/1037183344.db2.gz LYYCYMGJTZIDPL-SECBINFHSA-N -1 3 363.370 2.792 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)c(F)cc1[N+](=O)[O-] ZINC001210681847 1039669081 /nfs/dbraw/zinc/66/90/81/1039669081.db2.gz VKWXIKGDNJCUIM-UHFFFAOYSA-N -1 3 373.793 2.612 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])s1 ZINC001213594232 1040699959 /nfs/dbraw/zinc/69/99/59/1040699959.db2.gz UUNYQOJWDGNFPM-SECBINFHSA-N -1 3 371.396 2.912 20 5 FFBDHM C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001254571637 1040808132 /nfs/dbraw/zinc/80/81/32/1040808132.db2.gz ZJRXLVHEUVMQJW-HNNXBMFYSA-N -1 3 369.421 2.689 20 5 FFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnc(Cl)cc1Cl ZINC001324842794 1046251563 /nfs/dbraw/zinc/25/15/63/1046251563.db2.gz JZQQRSFICSYKBS-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1cc(COC(C)(C)C)on1 ZINC001288216079 1047421769 /nfs/dbraw/zinc/42/17/69/1047421769.db2.gz NKXMCNKTPHEKJN-UHFFFAOYSA-N -1 3 350.331 2.554 20 5 FFBDHM CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1 ZINC001294243066 1049717525 /nfs/dbraw/zinc/71/75/25/1049717525.db2.gz BQJSHUCWURALEJ-OAHLLOKOSA-N -1 3 363.801 2.987 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(Cc2c(C)nc(C)[n-]c2=O)n1 ZINC001342549394 1051152697 /nfs/dbraw/zinc/15/26/97/1051152697.db2.gz KVYKQFDHBHMSSI-UHFFFAOYSA-N -1 3 355.354 2.965 20 5 FFBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001343938213 1052500147 /nfs/dbraw/zinc/50/01/47/1052500147.db2.gz LWYFRJPBCNSGPQ-UHFFFAOYSA-N -1 3 351.746 2.728 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001309203029 1052573737 /nfs/dbraw/zinc/57/37/37/1052573737.db2.gz ZAMSKKYHUUMMGB-DZGCQCFKSA-N -1 3 364.398 2.952 20 5 FFBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c1 ZINC001309326360 1052599354 /nfs/dbraw/zinc/59/93/54/1052599354.db2.gz MUVWCIVHJPSLQJ-UHFFFAOYSA-N -1 3 370.452 2.884 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001454308212 1059495022 /nfs/dbraw/zinc/49/50/22/1059495022.db2.gz CIFWWNITYNFXIZ-UHFFFAOYSA-N -1 3 356.382 2.905 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001458634556 1060638647 /nfs/dbraw/zinc/63/86/47/1060638647.db2.gz FAXNYNITXUQQOQ-SSDOTTSWSA-N -1 3 373.291 3.000 20 5 FFBDHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c1 ZINC001475297609 1061040344 /nfs/dbraw/zinc/04/03/44/1061040344.db2.gz KJTPXSCSKWSNJI-QWHCGFSZSA-N -1 3 368.436 2.808 20 5 FFBDHM COCC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCCCC1 ZINC001475363904 1061063105 /nfs/dbraw/zinc/06/31/05/1061063105.db2.gz NBRRKERFWVVEOH-UHFFFAOYSA-N -1 3 374.434 2.918 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnc2ccnn2c1C(F)F ZINC001521912805 1061231241 /nfs/dbraw/zinc/23/12/41/1061231241.db2.gz UVJVRWRWWGOIER-UHFFFAOYSA-N -1 3 351.244 2.967 20 5 FFBDHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001464048170 1062400354 /nfs/dbraw/zinc/40/03/54/1062400354.db2.gz BMCXFHWJZCEUMJ-UHFFFAOYSA-N -1 3 371.390 2.941 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC001436648055 1062760693 /nfs/dbraw/zinc/76/06/93/1062760693.db2.gz DZJMSOUGSWRPPJ-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC001436648055 1062760711 /nfs/dbraw/zinc/76/07/11/1062760711.db2.gz DZJMSOUGSWRPPJ-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001465160270 1062993271 /nfs/dbraw/zinc/99/32/71/1062993271.db2.gz RVYSVGVPTAEADY-ZCFIWIBFSA-N -1 3 374.279 2.623 20 5 FFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(CC2CC2)c2ccccc21 ZINC001465564521 1063137399 /nfs/dbraw/zinc/13/73/99/1063137399.db2.gz HZFNAGZKTYLYKU-UHFFFAOYSA-N -1 3 354.366 2.572 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471677703 1064755170 /nfs/dbraw/zinc/75/51/70/1064755170.db2.gz PACUEHOJXIMCDC-UHFFFAOYSA-N -1 3 360.757 2.777 20 5 FFBDHM CNc1c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cccc1[N+](=O)[O-] ZINC001472288721 1065002572 /nfs/dbraw/zinc/00/25/72/1065002572.db2.gz QKCOATAGQHMCGR-HAQNSBGRSA-N -1 3 371.397 2.588 20 5 FFBDHM CN(C)c1ccccc1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001578999674 1078560442 /nfs/dbraw/zinc/56/04/42/1078560442.db2.gz GIANSXYUQNQGFQ-UHFFFAOYSA-N -1 3 357.349 2.592 20 5 FFBDHM CN(C)c1ccccc1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001578999674 1078560447 /nfs/dbraw/zinc/56/04/47/1078560447.db2.gz GIANSXYUQNQGFQ-UHFFFAOYSA-N -1 3 357.349 2.592 20 5 FFBDHM COc1cc(OC)cc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001579937697 1078721746 /nfs/dbraw/zinc/72/17/46/1078721746.db2.gz SRXQXTIGKTZLQP-UHFFFAOYSA-N -1 3 357.326 2.893 20 5 FFBDHM COc1cc(OC)cc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001579937697 1078721748 /nfs/dbraw/zinc/72/17/48/1078721748.db2.gz SRXQXTIGKTZLQP-UHFFFAOYSA-N -1 3 357.326 2.893 20 5 FFBDHM C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001580441059 1078803936 /nfs/dbraw/zinc/80/39/36/1078803936.db2.gz BAXIKCKEWCFJET-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001580441059 1078803942 /nfs/dbraw/zinc/80/39/42/1078803942.db2.gz BAXIKCKEWCFJET-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001581213956 1078940269 /nfs/dbraw/zinc/94/02/69/1078940269.db2.gz SUXHEWJJAVEXAN-UHFFFAOYSA-N -1 3 366.381 3.000 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001581213956 1078940276 /nfs/dbraw/zinc/94/02/76/1078940276.db2.gz SUXHEWJJAVEXAN-UHFFFAOYSA-N -1 3 366.381 3.000 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1cccc([N+](=O)[O-])c1Cl ZINC001562791903 1073432056 /nfs/dbraw/zinc/43/20/56/1073432056.db2.gz TXKUAILNEIAKCV-UHFFFAOYSA-N -1 3 373.760 2.996 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1cccc([N+](=O)[O-])c1Cl ZINC001562791903 1073432061 /nfs/dbraw/zinc/43/20/61/1073432061.db2.gz TXKUAILNEIAKCV-UHFFFAOYSA-N -1 3 373.760 2.996 20 5 FFBDHM O=Cc1ccc(OCc2cc(Cl)cc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001582790778 1079107052 /nfs/dbraw/zinc/10/70/52/1079107052.db2.gz NWJCVNBBJDUDHV-UHFFFAOYSA-N -1 3 359.729 2.820 20 5 FFBDHM O=Cc1ccc(OCc2cc(Cl)cc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001582790778 1079107054 /nfs/dbraw/zinc/10/70/54/1079107054.db2.gz NWJCVNBBJDUDHV-UHFFFAOYSA-N -1 3 359.729 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3ccc(F)c(-c4nnn[n-]4)c3)cn2)cc1 ZINC001582803415 1079108599 /nfs/dbraw/zinc/10/85/99/1079108599.db2.gz GMOMTFQBYYITTD-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3ccc(F)c(-c4nn[n-]n4)c3)cn2)cc1 ZINC001582803415 1079108601 /nfs/dbraw/zinc/10/86/01/1079108601.db2.gz GMOMTFQBYYITTD-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001583303386 1079190203 /nfs/dbraw/zinc/19/02/03/1079190203.db2.gz VPBYHHHKMVAWPG-UHFFFAOYSA-N -1 3 373.413 2.642 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c(F)cc1[N+](=O)[O-] ZINC001561400223 1076371996 /nfs/dbraw/zinc/37/19/96/1076371996.db2.gz HTJKUGIMONNPAZ-UHFFFAOYSA-N -1 3 371.415 2.855 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1sccc1Cl ZINC001561409591 1076373104 /nfs/dbraw/zinc/37/31/04/1076373104.db2.gz HYHONHNZTZEGQL-UHFFFAOYSA-N -1 3 362.816 2.797 20 5 FFBDHM CC(=O)c1c(F)cccc1OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588893145 1080239900 /nfs/dbraw/zinc/23/99/00/1080239900.db2.gz OVIMFGRAJIRDBD-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1c(F)cccc1OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588893145 1080239911 /nfs/dbraw/zinc/23/99/11/1080239911.db2.gz OVIMFGRAJIRDBD-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM C[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589015431 1080306452 /nfs/dbraw/zinc/30/64/52/1080306452.db2.gz KLQOJVCNTUARQD-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589015431 1080306457 /nfs/dbraw/zinc/30/64/57/1080306457.db2.gz KLQOJVCNTUARQD-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589521139 1080579308 /nfs/dbraw/zinc/57/93/08/1080579308.db2.gz PRCRSUWQRFSGML-BONVTDFDSA-N -1 3 364.381 2.777 20 5 FFBDHM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589521139 1080579315 /nfs/dbraw/zinc/57/93/15/1080579315.db2.gz PRCRSUWQRFSGML-BONVTDFDSA-N -1 3 364.381 2.777 20 5 FFBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001589701988 1080677926 /nfs/dbraw/zinc/67/79/26/1080677926.db2.gz LHDXZINQIWHFEF-UHFFFAOYSA-N -1 3 366.381 2.826 20 5 FFBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001589701988 1080677931 /nfs/dbraw/zinc/67/79/31/1080677931.db2.gz LHDXZINQIWHFEF-UHFFFAOYSA-N -1 3 366.381 2.826 20 5 FFBDHM CC(C)c1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001589768282 1080722956 /nfs/dbraw/zinc/72/29/56/1080722956.db2.gz YDBUGSGMWYDNJT-UHFFFAOYSA-N -1 3 366.381 2.828 20 5 FFBDHM CC(C)c1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001589768282 1080722959 /nfs/dbraw/zinc/72/29/59/1080722959.db2.gz YDBUGSGMWYDNJT-UHFFFAOYSA-N -1 3 366.381 2.828 20 5 FFBDHM C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC001589981010 1080920336 /nfs/dbraw/zinc/92/03/36/1080920336.db2.gz SOXJOBBQPFTICU-VIFPVBQESA-N -1 3 358.333 2.579 20 5 FFBDHM C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC001589981010 1080920340 /nfs/dbraw/zinc/92/03/40/1080920340.db2.gz SOXJOBBQPFTICU-VIFPVBQESA-N -1 3 358.333 2.579 20 5 FFBDHM C[C@H]1C[C@H](c2ccccc2)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590213732 1081096567 /nfs/dbraw/zinc/09/65/67/1081096567.db2.gz JROYIYKFAATEPK-FZMZJTMJSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1C[C@H](c2ccccc2)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590213732 1081096572 /nfs/dbraw/zinc/09/65/72/1081096572.db2.gz JROYIYKFAATEPK-FZMZJTMJSA-N -1 3 351.370 2.552 20 5 FFBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OC ZINC000451673442 513903677 /nfs/dbraw/zinc/90/36/77/513903677.db2.gz KSFDYYDGGMSBNI-JOYOIKCWSA-N -1 3 350.824 2.588 20 5 FFBDHM O=[N+]([O-])c1cnc([N-]c2ccc3nc(N4CCOCC4)sc3c2)nc1 ZINC000273620315 255769443 /nfs/dbraw/zinc/76/94/43/255769443.db2.gz ONSBKGNBLBRNEH-UHFFFAOYSA-N -1 3 358.383 2.575 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000104759546 250185783 /nfs/dbraw/zinc/18/57/83/250185783.db2.gz IKFYTGJBVUWJEW-LLVKDONJSA-N -1 3 371.440 2.798 20 5 FFBDHM COc1cc(OCC(=O)N2CCCc3cccc([O-])c32)ccc1[N+](=O)[O-] ZINC000272550831 252065584 /nfs/dbraw/zinc/06/55/84/252065584.db2.gz SQMPAYQOIVSESJ-UHFFFAOYSA-N -1 3 358.350 2.667 20 5 FFBDHM COC(=O)c1cc(NC([O-])=NOCCC(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000277324158 256185465 /nfs/dbraw/zinc/18/54/65/256185465.db2.gz WBGWSSSWRSOOFC-UHFFFAOYSA-N -1 3 365.264 2.695 20 5 FFBDHM COC(=O)c1cc(NC(=O)[N-]OCCC(F)(F)F)c(C)c([N+](=O)[O-])c1 ZINC000277324158 256185466 /nfs/dbraw/zinc/18/54/66/256185466.db2.gz WBGWSSSWRSOOFC-UHFFFAOYSA-N -1 3 365.264 2.695 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000182483383 509261467 /nfs/dbraw/zinc/26/14/67/509261467.db2.gz ODTSZSPQZFSUIQ-SNVBAGLBSA-N -1 3 364.851 2.632 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1 ZINC000032632525 506272108 /nfs/dbraw/zinc/27/21/08/506272108.db2.gz FDPGVLBHSNJBED-UHFFFAOYSA-N -1 3 370.770 2.820 20 5 FFBDHM COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1C ZINC000053692394 506431512 /nfs/dbraw/zinc/43/15/12/506431512.db2.gz GONWSGIODRWFFF-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000067430658 506878873 /nfs/dbraw/zinc/87/88/73/506878873.db2.gz OTNGDRQKYWTARS-CYBMUJFWSA-N -1 3 364.423 2.903 20 5 FFBDHM O=C(Nc1ccc2c(c1)OCCCO2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000045307653 506947571 /nfs/dbraw/zinc/94/75/71/506947571.db2.gz LVKSSEYVBIUHBE-UHFFFAOYSA-N -1 3 354.322 2.885 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000045814737 507027098 /nfs/dbraw/zinc/02/70/98/507027098.db2.gz ALBPPNXVJJTRSW-GFCCVEGCSA-N -1 3 368.798 2.530 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCSc2ccccc2)c([N+](=O)[O-])c1 ZINC000023402354 507352769 /nfs/dbraw/zinc/35/27/69/507352769.db2.gz XOHLPKKUSZFPMW-UHFFFAOYSA-N -1 3 368.436 2.674 20 5 FFBDHM O=C([N-]c1nnc(C(F)F)s1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109271537 507951650 /nfs/dbraw/zinc/95/16/50/507951650.db2.gz ZWXUDINHWGXFJU-UHFFFAOYSA-N -1 3 366.309 2.822 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000111363480 508093789 /nfs/dbraw/zinc/09/37/89/508093789.db2.gz XMWZUMNDUGFLAS-SECBINFHSA-N -1 3 371.440 2.662 20 5 FFBDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000075943471 508145422 /nfs/dbraw/zinc/14/54/22/508145422.db2.gz PTFGXOLLOLUCGZ-CQSZACIVSA-N -1 3 364.423 2.903 20 5 FFBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000113947056 508287553 /nfs/dbraw/zinc/28/75/53/508287553.db2.gz INURQEFREJRRIZ-NSHDSACASA-N -1 3 353.400 2.856 20 5 FFBDHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104752372 508344764 /nfs/dbraw/zinc/34/47/64/508344764.db2.gz LZNHAROROYPXFB-UHFFFAOYSA-N -1 3 350.396 2.651 20 5 FFBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157433030 508565122 /nfs/dbraw/zinc/56/51/22/508565122.db2.gz DBMPKLHVFWJROX-UHFFFAOYSA-N -1 3 355.394 2.695 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1noc(-c2ccccc2)n1 ZINC000128316906 508576709 /nfs/dbraw/zinc/57/67/09/508576709.db2.gz GBZIAZMYSWQXMN-LLVKDONJSA-N -1 3 374.378 2.684 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3C)[n-]c21 ZINC000157792159 508612727 /nfs/dbraw/zinc/61/27/27/508612727.db2.gz MNKNKNMWQXXPEQ-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc([N+](=O)[O-])c3C)nc21 ZINC000157792159 508612730 /nfs/dbraw/zinc/61/27/30/508612730.db2.gz MNKNKNMWQXXPEQ-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000153664680 508620652 /nfs/dbraw/zinc/62/06/52/508620652.db2.gz YCLVWSWEIDDFLU-UHFFFAOYSA-N -1 3 365.392 2.790 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000119000441 508703742 /nfs/dbraw/zinc/70/37/42/508703742.db2.gz NEHWCMSMABHNQB-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000119106795 508727411 /nfs/dbraw/zinc/72/74/11/508727411.db2.gz HYRRGVLLCLDRQM-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000119266916 508760708 /nfs/dbraw/zinc/76/07/08/508760708.db2.gz CEAZRZDNZKYSAO-LBPRGKRZSA-N -1 3 369.399 2.638 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCN(c2cccs2)CC1 ZINC000119316797 508771309 /nfs/dbraw/zinc/77/13/09/508771309.db2.gz YRCKUEUVFVNRNO-UHFFFAOYSA-N -1 3 367.452 2.604 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1 ZINC000151065896 508949831 /nfs/dbraw/zinc/94/98/31/508949831.db2.gz WMMNJWVFFWYLLQ-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM O=C(Nc1cccc(N2CCOCC2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000131824565 508973158 /nfs/dbraw/zinc/97/31/58/508973158.db2.gz AWVZBEMBZOHWSW-UHFFFAOYSA-N -1 3 367.365 2.560 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125711107 509020580 /nfs/dbraw/zinc/02/05/80/509020580.db2.gz UTXPEGLTPNCZFR-ZETCQYMHSA-N -1 3 359.429 2.652 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000125746352 509024574 /nfs/dbraw/zinc/02/45/74/509024574.db2.gz CVKPCTFSWPNFHB-HONMWMINSA-N -1 3 372.468 2.591 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000125777015 509028678 /nfs/dbraw/zinc/02/86/78/509028678.db2.gz IMPUVFNFAZBOMG-QMMMGPOBSA-N -1 3 374.465 2.966 20 5 FFBDHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000121082764 509123746 /nfs/dbraw/zinc/12/37/46/509123746.db2.gz LKRWFAFMFMZOSG-AWEZNQCLSA-N -1 3 364.851 2.714 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000162003728 509168976 /nfs/dbraw/zinc/16/89/76/509168976.db2.gz KNKMHAMGDROSTC-CQSZACIVSA-N -1 3 356.444 2.513 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000191995186 509283052 /nfs/dbraw/zinc/28/30/52/509283052.db2.gz IBVVQSMJJVGXSM-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM CSCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163369560 509369351 /nfs/dbraw/zinc/36/93/51/509369351.db2.gz KZVYINCHDQKFPP-UHFFFAOYSA-N -1 3 358.363 2.645 20 5 FFBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189149911 509436779 /nfs/dbraw/zinc/43/67/79/509436779.db2.gz COHDEJZHTTVUQA-VIFPVBQESA-N -1 3 371.802 2.691 20 5 FFBDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179460676 509454410 /nfs/dbraw/zinc/45/44/10/509454410.db2.gz CGHJYESGWVXLSC-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1c(C(=O)Nc2c(C)cccc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000183024013 509552859 /nfs/dbraw/zinc/55/28/59/509552859.db2.gz HRELSBRRUICBLJ-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173609035 509673509 /nfs/dbraw/zinc/67/35/09/509673509.db2.gz KGMUWGGGLXJNTD-NSHDSACASA-N -1 3 371.846 2.886 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000173976947 509884248 /nfs/dbraw/zinc/88/42/48/509884248.db2.gz SVAUIOLGLHRQFO-AWEZNQCLSA-N -1 3 370.814 2.914 20 5 FFBDHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184607351 510414234 /nfs/dbraw/zinc/41/42/34/510414234.db2.gz PNCRNNUMTHZSIR-CQSZACIVSA-N -1 3 361.423 2.929 20 5 FFBDHM O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000194745918 510509717 /nfs/dbraw/zinc/50/97/17/510509717.db2.gz ORMSMTHOFSRCDK-HNNXBMFYSA-N -1 3 355.394 2.552 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246570048 510561078 /nfs/dbraw/zinc/56/10/78/510561078.db2.gz BSUTVZLTZHRKRC-BFYDXBDKSA-N -1 3 358.419 2.767 20 5 FFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000181763857 510579633 /nfs/dbraw/zinc/57/96/33/510579633.db2.gz KIZPWLKASURFHM-HNNXBMFYSA-N -1 3 355.350 2.544 20 5 FFBDHM O=c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)[n-]c2sc3c(c21)CCCC3 ZINC000195056736 510650872 /nfs/dbraw/zinc/65/08/72/510650872.db2.gz CNODUZPMKLRTLE-UHFFFAOYSA-N -1 3 371.422 2.894 20 5 FFBDHM CCc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c([O-])c1 ZINC000188537057 510814580 /nfs/dbraw/zinc/81/45/80/510814580.db2.gz PRTIMKNUKJLZIW-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000279803057 511222048 /nfs/dbraw/zinc/22/20/48/511222048.db2.gz PIXZHBRTVDANDQ-VIFPVBQESA-N -1 3 350.849 2.588 20 5 FFBDHM COC(=O)c1cc([N-]S(=O)(=O)C2=CCCCC2)c(C)c([N+](=O)[O-])c1 ZINC000295220950 511326115 /nfs/dbraw/zinc/32/61/15/511326115.db2.gz RAASMBMHVQRETQ-UHFFFAOYSA-N -1 3 354.384 2.889 20 5 FFBDHM O=C(Nc1cccc(N2CCN(CC3CC3)CC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299132656 511527406 /nfs/dbraw/zinc/52/74/06/511527406.db2.gz PYVXMFYAWGUGEK-UHFFFAOYSA-N -1 3 369.425 2.707 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000292892146 511760951 /nfs/dbraw/zinc/76/09/51/511760951.db2.gz VEFHLBSLDBMHHW-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@]1(C)CCCC[C@@H]1C ZINC000308413399 511767536 /nfs/dbraw/zinc/76/75/36/511767536.db2.gz FWDJBGXBOWPGJI-ZBEGNZNMSA-N -1 3 370.427 2.629 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c2ncccc12 ZINC000274294927 511784197 /nfs/dbraw/zinc/78/41/97/511784197.db2.gz GBJDIAGTLOWFID-UHFFFAOYSA-N -1 3 363.317 2.764 20 5 FFBDHM CCOc1cc2c(cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000275020367 512017962 /nfs/dbraw/zinc/01/79/62/512017962.db2.gz ZRIIQCKXAHERHF-SECBINFHSA-N -1 3 359.338 2.670 20 5 FFBDHM COc1cc(CNc2ccc(-n3ccnc3C)nc2)c([N+](=O)[O-])cc1[O-] ZINC000367605805 512581253 /nfs/dbraw/zinc/58/12/53/512581253.db2.gz CSDCPHPBTRNGCP-UHFFFAOYSA-N -1 3 355.354 2.810 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2Cc2ccccc2)n1 ZINC000390537379 512907540 /nfs/dbraw/zinc/90/75/40/512907540.db2.gz KLUKCCUACDGALI-AWEZNQCLSA-N -1 3 356.382 2.765 20 5 FFBDHM O=C([O-])c1ccnc(NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000390414309 512907898 /nfs/dbraw/zinc/90/78/98/512907898.db2.gz GNRJHPOWTPIKEJ-CQSZACIVSA-N -1 3 356.382 2.765 20 5 FFBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000392816760 512928317 /nfs/dbraw/zinc/92/83/17/512928317.db2.gz YWAIUUQCWGQVLO-BXUZGUMPSA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397929281 512951004 /nfs/dbraw/zinc/95/10/04/512951004.db2.gz AWKCQGUNCXCTTE-SWLSCSKDSA-N -1 3 356.382 2.763 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425006655 513366029 /nfs/dbraw/zinc/36/60/29/513366029.db2.gz QCAIZMPORKMVAQ-FUHWJXTLSA-N -1 3 367.405 2.647 20 5 FFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CS1 ZINC000416578122 513845357 /nfs/dbraw/zinc/84/53/57/513845357.db2.gz BRYSBFMKUGUZEB-SFYZADRCSA-N -1 3 370.374 2.786 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C1CC1 ZINC000416588409 513851574 /nfs/dbraw/zinc/85/15/74/513851574.db2.gz QXKHAVPORIENNN-JSGCOSHPSA-N -1 3 354.428 2.708 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000431284299 513863953 /nfs/dbraw/zinc/86/39/53/513863953.db2.gz PCBPZVCIOPXNGF-UHFFFAOYSA-N -1 3 368.798 2.757 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000416645380 513885335 /nfs/dbraw/zinc/88/53/35/513885335.db2.gz JTUNCJHKSBHSEI-LLVKDONJSA-N -1 3 350.824 2.588 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436638818 513925801 /nfs/dbraw/zinc/92/58/01/513925801.db2.gz LOKKMGFKSBDXBY-PBHICJAKSA-N -1 3 369.421 2.941 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436643415 513927984 /nfs/dbraw/zinc/92/79/84/513927984.db2.gz XKOHEHATINMSLW-CXAGYDPISA-N -1 3 355.394 2.551 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000451799324 513988077 /nfs/dbraw/zinc/98/80/77/513988077.db2.gz GGDGUPKOSQGVJH-NSHDSACASA-N -1 3 374.846 2.876 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000451815570 513998319 /nfs/dbraw/zinc/99/83/19/513998319.db2.gz HSUFKSHNVZWZGU-WCQYABFASA-N -1 3 362.473 2.694 20 5 FFBDHM COc1cc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000426635465 514002379 /nfs/dbraw/zinc/00/23/79/514002379.db2.gz AULRZSIISAWKEH-GTNSWQLSSA-N -1 3 352.387 2.680 20 5 FFBDHM COC(=O)c1c(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000426695953 514018327 /nfs/dbraw/zinc/01/83/27/514018327.db2.gz POJSIDDPVRTZJE-UHFFFAOYSA-N -1 3 372.312 2.958 20 5 FFBDHM O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000443676948 514020908 /nfs/dbraw/zinc/02/09/08/514020908.db2.gz XXARPFNLVZYJBM-UHFFFAOYSA-N -1 3 359.216 2.552 20 5 FFBDHM CC(C)Cn1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000445134260 514423021 /nfs/dbraw/zinc/42/30/21/514423021.db2.gz JNZGKQFTAKHTHL-UHFFFAOYSA-N -1 3 355.301 2.738 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000508006432 514634891 /nfs/dbraw/zinc/63/48/91/514634891.db2.gz GAZUMNUDQWAVLR-UHFFFAOYSA-N -1 3 368.386 2.790 20 5 FFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000484521895 514674494 /nfs/dbraw/zinc/67/44/94/514674494.db2.gz AYNAQIAWBUCANQ-UHFFFAOYSA-N -1 3 353.718 2.618 20 5 FFBDHM C[N-]S(=O)(=O)c1ccc(CNc2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC000461735048 514713189 /nfs/dbraw/zinc/71/31/89/514713189.db2.gz RDUZNCXTHLVVNU-UHFFFAOYSA-N -1 3 359.404 2.624 20 5 FFBDHM COC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1OC ZINC000479770964 514716496 /nfs/dbraw/zinc/71/64/96/514716496.db2.gz MIQSKSYPYGQJRN-UHFFFAOYSA-N -1 3 362.338 2.716 20 5 FFBDHM CSc1cc(O)ccc1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000489119391 514718728 /nfs/dbraw/zinc/71/87/28/514718728.db2.gz CFFSICUGMMVDKW-UHFFFAOYSA-N -1 3 371.378 2.855 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000467042836 514873486 /nfs/dbraw/zinc/87/34/86/514873486.db2.gz CVKPCTFSWPNFHB-ZLKJLUDKSA-N -1 3 372.468 2.591 20 5 FFBDHM COCCOc1c(Cl)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485381070 515015562 /nfs/dbraw/zinc/01/55/62/515015562.db2.gz QQANHDQHUSQOFV-UHFFFAOYSA-N -1 3 367.745 2.626 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c([N+](=O)[O-])c1 ZINC000462410363 515038317 /nfs/dbraw/zinc/03/83/17/515038317.db2.gz SDBIQTOVOYZSIU-ZDUSSCGKSA-N -1 3 351.428 2.541 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000462491748 515083205 /nfs/dbraw/zinc/08/32/05/515083205.db2.gz OULQDOSEQCCBIF-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c1[N+](=O)[O-] ZINC000480847872 515107121 /nfs/dbraw/zinc/10/71/21/515107121.db2.gz BMQLNUIPLCEZCE-QGZVFWFLSA-N -1 3 370.471 2.821 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C12CCC2 ZINC000480978553 515158781 /nfs/dbraw/zinc/15/87/81/515158781.db2.gz JASYFMKPPPWIQG-GJZGRUSLSA-N -1 3 368.455 2.838 20 5 FFBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000485758778 515174651 /nfs/dbraw/zinc/17/46/51/515174651.db2.gz XCRSIEGZVMKNPO-UHFFFAOYSA-N -1 3 368.396 2.597 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)c1C ZINC000481023789 515176792 /nfs/dbraw/zinc/17/67/92/515176792.db2.gz WXKPJIUMIGQBEN-LLVKDONJSA-N -1 3 372.443 2.610 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCc2c(C)cccc2C)c([N+](=O)[O-])c1 ZINC000481049881 515185942 /nfs/dbraw/zinc/18/59/42/515185942.db2.gz AOWCSMBJNRJGIV-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000490417032 515202428 /nfs/dbraw/zinc/20/24/28/515202428.db2.gz TXTAYDVMSFAASX-OCCSQVGLSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000485863437 515223694 /nfs/dbraw/zinc/22/36/94/515223694.db2.gz MMXDCTBCVPSSJL-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000490522034 515237554 /nfs/dbraw/zinc/23/75/54/515237554.db2.gz SATCWOVIYUSPPY-UHFFFAOYSA-N -1 3 373.818 2.894 20 5 FFBDHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477132567 515343563 /nfs/dbraw/zinc/34/35/63/515343563.db2.gz KBLGIQONWFXJRJ-LBPRGKRZSA-N -1 3 372.443 2.859 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)cc1C ZINC000481488131 515345846 /nfs/dbraw/zinc/34/58/46/515345846.db2.gz AAKBRLRVEHCKLO-ZDUSSCGKSA-N -1 3 358.460 2.677 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000491337310 515415744 /nfs/dbraw/zinc/41/57/44/515415744.db2.gz ZBGYYENOYHPRTL-OUJBWJOFSA-N -1 3 360.407 2.846 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccncc2F)c1C ZINC000510599379 515602966 /nfs/dbraw/zinc/60/29/66/515602966.db2.gz KHEYVFBYJRUMLQ-LLVKDONJSA-N -1 3 353.375 2.785 20 5 FFBDHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000463848656 515639076 /nfs/dbraw/zinc/63/90/76/515639076.db2.gz KHOYVFQXVZWFAG-UONOGXRCSA-N -1 3 360.407 2.604 20 5 FFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000493851055 515669955 /nfs/dbraw/zinc/66/99/55/515669955.db2.gz WSFCEOAHNJJXTO-SSDOTTSWSA-N -1 3 374.312 2.752 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000457124454 515670260 /nfs/dbraw/zinc/67/02/60/515670260.db2.gz OXUJOCRRMZWVIS-UHFFFAOYSA-N -1 3 355.276 2.794 20 5 FFBDHM C[C@@H]1CCCN(c2ccc(C(=O)NCc3ncccc3[O-])cc2[N+](=O)[O-])C1 ZINC000473633490 515695782 /nfs/dbraw/zinc/69/57/82/515695782.db2.gz JGKLTJKJLZVACP-CYBMUJFWSA-N -1 3 370.409 2.862 20 5 FFBDHM Cc1c(Br)cc(C(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000473636557 515697855 /nfs/dbraw/zinc/69/78/55/515697855.db2.gz QXDFMJVIWIVMRD-UHFFFAOYSA-N -1 3 366.171 2.696 20 5 FFBDHM CSCc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000511410517 515894986 /nfs/dbraw/zinc/89/49/86/515894986.db2.gz AHQZQBLUGQBUPZ-UHFFFAOYSA-N -1 3 352.437 2.936 20 5 FFBDHM Cc1cc(OCC(=O)[N-]c2nncn2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000512040647 516127395 /nfs/dbraw/zinc/12/73/95/516127395.db2.gz JDCAWAUNXBUMQT-UHFFFAOYSA-N -1 3 353.338 2.501 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@H](C)C2)cc1C ZINC000497544744 516325877 /nfs/dbraw/zinc/32/58/77/516325877.db2.gz ZVCCAVRVXZRPOZ-SWLSCSKDSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000543667084 516354951 /nfs/dbraw/zinc/35/49/51/516354951.db2.gz JAXOYMKEPLPPCW-JTQLQIEISA-N -1 3 355.441 2.750 20 5 FFBDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539947174 516367502 /nfs/dbraw/zinc/36/75/02/516367502.db2.gz ODOWDIDGGOGELI-ZBEGNZNMSA-N -1 3 368.386 2.788 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000523549333 516502895 /nfs/dbraw/zinc/50/28/95/516502895.db2.gz KAINFFYNRMKXHA-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000523549333 516502901 /nfs/dbraw/zinc/50/29/01/516502901.db2.gz KAINFFYNRMKXHA-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000524123169 516646842 /nfs/dbraw/zinc/64/68/42/516646842.db2.gz OHIIWBOLNYTPRV-ZDUSSCGKSA-N -1 3 364.423 2.994 20 5 FFBDHM C[C@@H]1CCC[C@H](OCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000524296522 516688702 /nfs/dbraw/zinc/68/87/02/516688702.db2.gz KBGJHITUTSCMOD-DOMZBBRYSA-N -1 3 358.398 2.941 20 5 FFBDHM COc1ccc(CNC2(C(=O)[O-])CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000551422485 516704716 /nfs/dbraw/zinc/70/47/16/516704716.db2.gz FVCSBHXAGKUNHI-UHFFFAOYSA-N -1 3 372.377 2.889 20 5 FFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)CO2 ZINC000531911148 516708273 /nfs/dbraw/zinc/70/82/73/516708273.db2.gz IOTBLLMNXZYKJY-OAHLLOKOSA-N -1 3 362.407 2.932 20 5 FFBDHM O=C(Cc1ccc(Br)cc1[O-])NCc1cccc([N+](=O)[O-])c1 ZINC000548401316 516960354 /nfs/dbraw/zinc/96/03/54/516960354.db2.gz QMHSBHRWDJPLIP-UHFFFAOYSA-N -1 3 365.183 2.922 20 5 FFBDHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000536904401 516975864 /nfs/dbraw/zinc/97/58/64/516975864.db2.gz IJBOFXXFEMTXNS-LLVKDONJSA-N -1 3 365.411 2.600 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000559858498 517460899 /nfs/dbraw/zinc/46/08/99/517460899.db2.gz MVZUURVPOWQYEX-UHFFFAOYSA-N -1 3 354.403 2.981 20 5 FFBDHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000516315053 517657472 /nfs/dbraw/zinc/65/74/72/517657472.db2.gz HDKVERMYQRNHTA-UONOGXRCSA-N -1 3 362.407 2.746 20 5 FFBDHM COc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1[O-] ZINC000546563336 517726154 /nfs/dbraw/zinc/72/61/54/517726154.db2.gz BCCFSRWNSSUBSX-UHFFFAOYSA-N -1 3 360.366 2.983 20 5 FFBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000549865928 517754429 /nfs/dbraw/zinc/75/44/29/517754429.db2.gz ZXYRNASNPWVAEN-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC000531002942 518092567 /nfs/dbraw/zinc/09/25/67/518092567.db2.gz RXAGUHCBOQBXDF-UHFFFAOYSA-N -1 3 372.349 2.539 20 5 FFBDHM C[C@]1(c2ccc(CNc3ccc(Cl)cc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000522385122 518093045 /nfs/dbraw/zinc/09/30/45/518093045.db2.gz LFVMHAUJYMCVEV-QGZVFWFLSA-N -1 3 374.784 2.915 20 5 FFBDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000573169644 518535760 /nfs/dbraw/zinc/53/57/60/518535760.db2.gz NBOHPYIJXGNWKD-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2(C)CCCCC2)cc1[N+](=O)[O-] ZINC000570436940 518605221 /nfs/dbraw/zinc/60/52/21/518605221.db2.gz VVYLMQKCWUDHEW-UHFFFAOYSA-N -1 3 360.407 2.991 20 5 FFBDHM COc1cc(CN2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000565111556 518792491 /nfs/dbraw/zinc/79/24/91/518792491.db2.gz APVVSFMGRFGYDL-INIZCTEOSA-N -1 3 374.340 2.544 20 5 FFBDHM C[C@@H]1CN(CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000567981374 518812293 /nfs/dbraw/zinc/81/22/93/518812293.db2.gz HLYVPXRUPOXDAT-BETUJISGSA-N -1 3 351.403 2.594 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000577341617 519029803 /nfs/dbraw/zinc/02/98/03/519029803.db2.gz FRNLBBRFKVITJG-CYBMUJFWSA-N -1 3 373.862 2.543 20 5 FFBDHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000589932617 519108168 /nfs/dbraw/zinc/10/81/68/519108168.db2.gz DHUZZYKJYNSWMU-UHFFFAOYSA-N -1 3 352.416 2.655 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000590591594 519278014 /nfs/dbraw/zinc/27/80/14/519278014.db2.gz VESJFEYQKMQTPD-ZDUSSCGKSA-N -1 3 364.354 2.648 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc3cnn(C)c3c2)c1[N+](=O)[O-] ZINC000583726817 519398830 /nfs/dbraw/zinc/39/88/30/519398830.db2.gz NDDWTVNTBXXAMG-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000566271842 519404239 /nfs/dbraw/zinc/40/42/39/519404239.db2.gz ZHUINJZXUZZWFF-WMLDXEAASA-N -1 3 369.421 2.941 20 5 FFBDHM COc1c(C)cccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594476001 519985713 /nfs/dbraw/zinc/98/57/13/519985713.db2.gz AIKCVGJWNPVKKT-UHFFFAOYSA-N -1 3 356.425 2.760 20 5 FFBDHM O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612532641 520006920 /nfs/dbraw/zinc/00/69/20/520006920.db2.gz GUYHJSKKGXKWSO-MRXNPFEDSA-N -1 3 369.421 2.942 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nn(C)c3ccccc23)cc1C ZINC000612687548 520090993 /nfs/dbraw/zinc/09/09/93/520090993.db2.gz PEWFZHYBECZGHM-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)c1 ZINC000608781114 520125536 /nfs/dbraw/zinc/12/55/36/520125536.db2.gz ISNIZYAXVRLVCW-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000594850506 520188093 /nfs/dbraw/zinc/18/80/93/520188093.db2.gz QOODIEJGTMCVQV-UHFFFAOYSA-N -1 3 370.452 2.898 20 5 FFBDHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594867429 520197799 /nfs/dbraw/zinc/19/77/99/520197799.db2.gz BOSLGRSXEKHZHE-UONOGXRCSA-N -1 3 362.407 2.746 20 5 FFBDHM COc1ccc([N-]C(=O)c2csc(-c3cnn(C)c3)n2)c([N+](=O)[O-])c1 ZINC000603780066 520359007 /nfs/dbraw/zinc/35/90/07/520359007.db2.gz MPLPWOWYUDZYRF-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(F)F ZINC000595350809 520421523 /nfs/dbraw/zinc/42/15/23/520421523.db2.gz KWJCFRIFSLASPD-JTQLQIEISA-N -1 3 354.762 2.818 20 5 FFBDHM CCCN(C)CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595382584 520441436 /nfs/dbraw/zinc/44/14/36/520441436.db2.gz XCZWLDJGJBPSPU-UHFFFAOYSA-N -1 3 363.867 2.647 20 5 FFBDHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000609887357 520469621 /nfs/dbraw/zinc/46/96/21/520469621.db2.gz XKWUEXCBYVHZMZ-UHFFFAOYSA-N -1 3 366.399 2.988 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000613475884 520521056 /nfs/dbraw/zinc/52/10/56/520521056.db2.gz ZLHAXFOZLOGTGZ-ZFWWWQNUSA-N -1 3 352.437 2.973 20 5 FFBDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000610086731 520535872 /nfs/dbraw/zinc/53/58/72/520535872.db2.gz QKJQYOKIYSERNX-UHFFFAOYSA-N -1 3 367.402 2.823 20 5 FFBDHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610265749 520611693 /nfs/dbraw/zinc/61/16/93/520611693.db2.gz ZMLWYTXUBGAECH-CVEARBPZSA-N -1 3 350.371 2.742 20 5 FFBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000610266092 520612993 /nfs/dbraw/zinc/61/29/93/520612993.db2.gz QEIJPYIGXZSAOQ-GDLCADMTSA-N -1 3 374.846 2.730 20 5 FFBDHM CC1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000598622979 520748077 /nfs/dbraw/zinc/74/80/77/520748077.db2.gz PWOGQNJPIGHNCG-UHFFFAOYSA-N -1 3 352.334 2.938 20 5 FFBDHM O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614009722 520762411 /nfs/dbraw/zinc/76/24/11/520762411.db2.gz AEOZFRGBRGTWNH-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000610785585 520843772 /nfs/dbraw/zinc/84/37/72/520843772.db2.gz QAGPSLBQRXFUQR-GFCCVEGCSA-N -1 3 372.443 2.610 20 5 FFBDHM O=C(Nc1ccc(OCc2ccccc2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618356898 521027481 /nfs/dbraw/zinc/02/74/81/521027481.db2.gz ACAKVNUKFWHAFB-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3cccc(Cl)c3)CC2)nc1 ZINC000593603350 521102276 /nfs/dbraw/zinc/10/22/76/521102276.db2.gz BNDKEVMOMQGYHO-UHFFFAOYSA-N -1 3 367.814 2.697 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000614856927 521169712 /nfs/dbraw/zinc/16/97/12/521169712.db2.gz SVXYNZFJWIBXND-UHFFFAOYSA-N -1 3 356.322 2.613 20 5 FFBDHM COc1cc(CNCC2(C(=O)[O-])CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000596655812 521194456 /nfs/dbraw/zinc/19/44/56/521194456.db2.gz BBJCIQLFAJPWSQ-UHFFFAOYSA-N -1 3 374.340 2.592 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000619447753 521571028 /nfs/dbraw/zinc/57/10/28/521571028.db2.gz NAPKJJBPVBNHNK-LBPRGKRZSA-N -1 3 360.370 2.702 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000619447753 521571036 /nfs/dbraw/zinc/57/10/36/521571036.db2.gz NAPKJJBPVBNHNK-LBPRGKRZSA-N -1 3 360.370 2.702 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000619480234 521590413 /nfs/dbraw/zinc/59/04/13/521590413.db2.gz UIORPGSXRQFBAN-UHFFFAOYSA-N -1 3 361.379 2.563 20 5 FFBDHM Cn1[n-]c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC(F)F ZINC000490956262 561441024 /nfs/dbraw/zinc/44/10/24/561441024.db2.gz SCCGKGSYLLCTFU-UHFFFAOYSA-N -1 3 352.253 2.928 20 5 FFBDHM CN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000736841603 598914532 /nfs/dbraw/zinc/91/45/32/598914532.db2.gz FUTZRYQELBZYGO-HNNXBMFYSA-N -1 3 350.382 2.769 20 5 FFBDHM CN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000736841603 598914534 /nfs/dbraw/zinc/91/45/34/598914534.db2.gz FUTZRYQELBZYGO-HNNXBMFYSA-N -1 3 350.382 2.769 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000736615031 598977838 /nfs/dbraw/zinc/97/78/38/598977838.db2.gz XAAPOLLWDYSQMI-CVEARBPZSA-N -1 3 372.429 2.949 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000736615031 598977840 /nfs/dbraw/zinc/97/78/40/598977840.db2.gz XAAPOLLWDYSQMI-CVEARBPZSA-N -1 3 372.429 2.949 20 5 FFBDHM Cc1ccc(O[C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000822259466 599068482 /nfs/dbraw/zinc/06/84/82/599068482.db2.gz XPEUUABSLYFIOH-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1ccc(O[C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000822259466 599068484 /nfs/dbraw/zinc/06/84/84/599068484.db2.gz XPEUUABSLYFIOH-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM CCO[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCCC2 ZINC000821360031 599100943 /nfs/dbraw/zinc/10/09/43/599100943.db2.gz PTLCMGVODOLYLV-GJZGRUSLSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCCC2 ZINC000821360031 599100944 /nfs/dbraw/zinc/10/09/44/599100944.db2.gz PTLCMGVODOLYLV-GJZGRUSLSA-N -1 3 358.402 2.925 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822935720 607356584 /nfs/dbraw/zinc/35/65/84/607356584.db2.gz MRACMNSSEMUZLQ-WAYWQWQTSA-N -1 3 355.285 2.533 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822935720 607356585 /nfs/dbraw/zinc/35/65/85/607356585.db2.gz MRACMNSSEMUZLQ-WAYWQWQTSA-N -1 3 355.285 2.533 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOc3ccc(F)cc32)c(-c2nnn[n-]2)c1 ZINC000738368848 598593077 /nfs/dbraw/zinc/59/30/77/598593077.db2.gz DUOHOGARCFVZDC-AWEZNQCLSA-N -1 3 356.317 2.850 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCOc3ccc(F)cc32)c(-c2nn[n-]n2)c1 ZINC000738368848 598593078 /nfs/dbraw/zinc/59/30/78/598593078.db2.gz DUOHOGARCFVZDC-AWEZNQCLSA-N -1 3 356.317 2.850 20 5 FFBDHM Cc1ccc(OCCN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000822263308 599365907 /nfs/dbraw/zinc/36/59/07/599365907.db2.gz LLQSCKMHVQZCKB-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1ccc(OCCN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000822263308 599365910 /nfs/dbraw/zinc/36/59/10/599365910.db2.gz LLQSCKMHVQZCKB-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1occc1CN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822552453 599491222 /nfs/dbraw/zinc/49/12/22/599491222.db2.gz AOIRZXWVWBATQZ-UHFFFAOYSA-N -1 3 365.353 2.861 20 5 FFBDHM Cc1occc1CN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822552453 599491223 /nfs/dbraw/zinc/49/12/23/599491223.db2.gz AOIRZXWVWBATQZ-UHFFFAOYSA-N -1 3 365.353 2.861 20 5 FFBDHM Cc1noc(C)c1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822522734 599496524 /nfs/dbraw/zinc/49/65/24/599496524.db2.gz LGOAXGCAVHPZMG-UHFFFAOYSA-N -1 3 366.341 2.540 20 5 FFBDHM Cc1noc(C)c1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822522734 599496525 /nfs/dbraw/zinc/49/65/25/599496525.db2.gz LGOAXGCAVHPZMG-UHFFFAOYSA-N -1 3 366.341 2.540 20 5 FFBDHM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820711362 599502620 /nfs/dbraw/zinc/50/26/20/599502620.db2.gz XBNPAJNAXAZMCH-LLVKDONJSA-N -1 3 353.386 2.950 20 5 FFBDHM C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820711362 599502622 /nfs/dbraw/zinc/50/26/22/599502622.db2.gz XBNPAJNAXAZMCH-LLVKDONJSA-N -1 3 353.386 2.950 20 5 FFBDHM CCc1ccc([C@@H](COC)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821481152 599585371 /nfs/dbraw/zinc/58/53/71/599585371.db2.gz IEYUBMCSMVQVGR-CQSZACIVSA-N -1 3 358.358 2.730 20 5 FFBDHM CCc1ccc([C@@H](COC)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821481152 599585372 /nfs/dbraw/zinc/58/53/72/599585372.db2.gz IEYUBMCSMVQVGR-CQSZACIVSA-N -1 3 358.358 2.730 20 5 FFBDHM CN(CCn1cc([N+](=O)[O-])cn1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830800723 601113477 /nfs/dbraw/zinc/11/34/77/601113477.db2.gz VNNWKWWTLDUMAP-ZDUSSCGKSA-N -1 3 373.196 2.856 20 5 FFBDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000826044286 601656138 /nfs/dbraw/zinc/65/61/38/601656138.db2.gz DMMFUSUXMPTDIS-SCLBCKFNSA-N -1 3 371.393 2.609 20 5 FFBDHM CC(=O)c1ccc(OCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000824029079 607538917 /nfs/dbraw/zinc/53/89/17/607538917.db2.gz CGEBLEDXEGSTDG-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000824029079 607538918 /nfs/dbraw/zinc/53/89/18/607538918.db2.gz CGEBLEDXEGSTDG-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM C[C@]1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833568382 604815308 /nfs/dbraw/zinc/81/53/08/604815308.db2.gz DKRJNQFADSXWEJ-GUYCJALGSA-N -1 3 360.370 2.768 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409794 604949801 /nfs/dbraw/zinc/94/98/01/604949801.db2.gz RXRTTXYNMOXVMV-QWHCGFSZSA-N -1 3 363.414 2.745 20 5 FFBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824394313 607733258 /nfs/dbraw/zinc/73/32/58/607733258.db2.gz XLYUKUVZCUDUGB-NOZJJQNGSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824394313 607733260 /nfs/dbraw/zinc/73/32/60/607733260.db2.gz XLYUKUVZCUDUGB-NOZJJQNGSA-N -1 3 360.399 2.761 20 5 FFBDHM CC(C)Oc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccn1 ZINC000824319687 607734755 /nfs/dbraw/zinc/73/47/55/607734755.db2.gz YQSJGBRISUTPOL-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM CC(C)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccn1 ZINC000824319687 607734756 /nfs/dbraw/zinc/73/47/56/607734756.db2.gz YQSJGBRISUTPOL-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000833412221 605177842 /nfs/dbraw/zinc/17/78/42/605177842.db2.gz INBVQAXTIXMYEY-KRWDZBQOSA-N -1 3 371.393 2.975 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823346092 606269106 /nfs/dbraw/zinc/26/91/06/606269106.db2.gz IDQGFVYWYWTCQI-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823346092 606269108 /nfs/dbraw/zinc/26/91/08/606269108.db2.gz IDQGFVYWYWTCQI-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2ncccc2-c2nnn[n-]2)c(Br)c1 ZINC000823645568 606432783 /nfs/dbraw/zinc/43/27/83/606432783.db2.gz UBXKEUXKCKZICR-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823422542 606468449 /nfs/dbraw/zinc/46/84/49/606468449.db2.gz VSRGBJPVRZBDMC-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823422542 606468451 /nfs/dbraw/zinc/46/84/51/606468451.db2.gz VSRGBJPVRZBDMC-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM CO[C@H](C)c1nc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC000821675355 606593637 /nfs/dbraw/zinc/59/36/37/606593637.db2.gz JHWSNNBQGRNYFM-MRVPVSSYSA-N -1 3 361.387 2.551 20 5 FFBDHM CO[C@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cs1 ZINC000821675355 606593639 /nfs/dbraw/zinc/59/36/39/606593639.db2.gz JHWSNNBQGRNYFM-MRVPVSSYSA-N -1 3 361.387 2.551 20 5 FFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821613669 606626472 /nfs/dbraw/zinc/62/64/72/606626472.db2.gz XSFAKKXATLMMEH-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821613669 606626474 /nfs/dbraw/zinc/62/64/74/606626474.db2.gz XSFAKKXATLMMEH-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639990 606728862 /nfs/dbraw/zinc/72/88/62/606728862.db2.gz OJGKFXCULBSXLP-LBPRGKRZSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639990 606728863 /nfs/dbraw/zinc/72/88/63/606728863.db2.gz OJGKFXCULBSXLP-LBPRGKRZSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3c(F)cc(F)cc3C2)c(-c2nnn[n-]2)c1 ZINC000823639930 607040798 /nfs/dbraw/zinc/04/07/98/607040798.db2.gz MIDDWZHLJAESPJ-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3c(F)cc(F)cc3C2)c(-c2nn[n-]n2)c1 ZINC000823639930 607040799 /nfs/dbraw/zinc/04/07/99/607040799.db2.gz MIDDWZHLJAESPJ-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820235317 607041190 /nfs/dbraw/zinc/04/11/90/607041190.db2.gz RSGQXIXLDXXANL-HWPZZCPQSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820235317 607041192 /nfs/dbraw/zinc/04/11/92/607041192.db2.gz RSGQXIXLDXXANL-HWPZZCPQSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](O)C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820474483 607045947 /nfs/dbraw/zinc/04/59/47/607045947.db2.gz RTYGEOBDXLYQFO-IUODEOHRSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@@H](O)C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820474483 607045949 /nfs/dbraw/zinc/04/59/49/607045949.db2.gz RTYGEOBDXLYQFO-IUODEOHRSA-N -1 3 368.397 2.742 20 5 FFBDHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822183912 607073379 /nfs/dbraw/zinc/07/33/79/607073379.db2.gz LKWLSZKGKPWZPK-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822183912 607073381 /nfs/dbraw/zinc/07/33/81/607073381.db2.gz LKWLSZKGKPWZPK-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1cccc(CN(c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)c1 ZINC000823646865 607175760 /nfs/dbraw/zinc/17/57/60/607175760.db2.gz BRJPELRPSPFXJA-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM O=[N+]([O-])c1cccc(CN(c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)c1 ZINC000823646865 607175761 /nfs/dbraw/zinc/17/57/61/607175761.db2.gz BRJPELRPSPFXJA-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM Cc1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826292203 607863538 /nfs/dbraw/zinc/86/35/38/607863538.db2.gz LORJMQPXULGSMS-UHFFFAOYSA-N -1 3 355.354 2.931 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824655404 607902574 /nfs/dbraw/zinc/90/25/74/607902574.db2.gz CLXNYEAJRMZTJZ-SKVICXGVSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824655404 607902575 /nfs/dbraw/zinc/90/25/75/607902575.db2.gz CLXNYEAJRMZTJZ-SKVICXGVSA-N -1 3 372.410 2.685 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1cc(Cl)ccc1-c1nnn[n-]1)C2 ZINC000826500376 607937872 /nfs/dbraw/zinc/93/78/72/607937872.db2.gz WJJZMNQYCUVTKX-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1cc(Cl)ccc1-c1nn[n-]n1)C2 ZINC000826500376 607937873 /nfs/dbraw/zinc/93/78/73/607937873.db2.gz WJJZMNQYCUVTKX-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM CS[C@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826224920 608160884 /nfs/dbraw/zinc/16/08/84/608160884.db2.gz OYMRIIYWIKFFQR-ZCFIWIBFSA-N -1 3 356.795 2.508 20 5 FFBDHM CS[C@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826224920 608160885 /nfs/dbraw/zinc/16/08/85/608160885.db2.gz OYMRIIYWIKFFQR-ZCFIWIBFSA-N -1 3 356.795 2.508 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)[nH]1 ZINC000826260590 608163720 /nfs/dbraw/zinc/16/37/20/608163720.db2.gz VZURSOBUHPFPIW-UHFFFAOYSA-N -1 3 361.749 2.626 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)[nH]1 ZINC000826260590 608163721 /nfs/dbraw/zinc/16/37/21/608163721.db2.gz VZURSOBUHPFPIW-UHFFFAOYSA-N -1 3 361.749 2.626 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826293177 608445014 /nfs/dbraw/zinc/44/50/14/608445014.db2.gz DSIQHIANVDNHEK-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826293177 608445015 /nfs/dbraw/zinc/44/50/15/608445015.db2.gz DSIQHIANVDNHEK-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824907981 609576513 /nfs/dbraw/zinc/57/65/13/609576513.db2.gz LVKAPOBAHQZVBN-DTWKUNHWSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@H]1CC[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824907981 609576515 /nfs/dbraw/zinc/57/65/15/609576515.db2.gz LVKAPOBAHQZVBN-DTWKUNHWSA-N -1 3 356.308 2.942 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(F)c1 ZINC000134472431 728730371 /nfs/dbraw/zinc/73/03/71/728730371.db2.gz XHTUYICQPDWUOI-CKEIUWERSA-N -1 3 362.382 2.598 20 5 FFBDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175116546 729087653 /nfs/dbraw/zinc/08/76/53/729087653.db2.gz ABHAKMSCOMWGEU-LLVKDONJSA-N -1 3 365.367 2.851 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000867202462 731154167 /nfs/dbraw/zinc/15/41/67/731154167.db2.gz LZWPUGXTGJLUDZ-UHFFFAOYSA-N -1 3 360.407 2.526 20 5 FFBDHM O=C([N-]N1CCCNC1=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000783602383 738818584 /nfs/dbraw/zinc/81/85/84/738818584.db2.gz CQIKGJUEGCUYER-UHFFFAOYSA-N -1 3 364.427 2.690 20 5 FFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000736635799 734991677 /nfs/dbraw/zinc/99/16/77/734991677.db2.gz SNMPPDPRRZILEU-HNNXBMFYSA-N -1 3 353.375 2.805 20 5 FFBDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742293776 735220923 /nfs/dbraw/zinc/22/09/23/735220923.db2.gz SNITXNBASOARES-GZMMTYOYSA-N -1 3 363.233 2.824 20 5 FFBDHM O=C([O-])C1(C(F)(F)F)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000903921635 736188758 /nfs/dbraw/zinc/18/87/58/736188758.db2.gz NHLTZHKMPHVKCC-UHFFFAOYSA-N -1 3 362.304 2.703 20 5 FFBDHM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(F)F ZINC000815067083 741894328 /nfs/dbraw/zinc/89/43/28/741894328.db2.gz QBOLSRUOZMOSNG-UHFFFAOYSA-N -1 3 373.175 2.599 20 5 FFBDHM CCCCC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000778029916 738345337 /nfs/dbraw/zinc/34/53/37/738345337.db2.gz ZJDRGVVWRQYOGF-CYBMUJFWSA-N -1 3 358.341 2.925 20 5 FFBDHM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cc(F)cc2[n-]nnc21 ZINC000803520277 740807778 /nfs/dbraw/zinc/80/77/78/740807778.db2.gz KUGORXVZHDNLEQ-UHFFFAOYSA-N -1 3 352.228 2.640 20 5 FFBDHM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cc(F)cc2nn[n-]c21 ZINC000803520277 740807783 /nfs/dbraw/zinc/80/77/83/740807783.db2.gz KUGORXVZHDNLEQ-UHFFFAOYSA-N -1 3 352.228 2.640 20 5 FFBDHM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1cc(F)cc2n[n-]nc21 ZINC000803520277 740807787 /nfs/dbraw/zinc/80/77/87/740807787.db2.gz KUGORXVZHDNLEQ-UHFFFAOYSA-N -1 3 352.228 2.640 20 5 FFBDHM COC(=O)c1cnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000813377163 741707539 /nfs/dbraw/zinc/70/75/39/741707539.db2.gz DIIZDFRBULKPMQ-UHFFFAOYSA-N -1 3 371.683 2.960 20 5 FFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816845489 742065951 /nfs/dbraw/zinc/06/59/51/742065951.db2.gz RGWYCMRVFFQCIX-UHFFFAOYSA-N -1 3 362.773 2.893 20 5 FFBDHM O=C(NCCNc1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000820629125 742529778 /nfs/dbraw/zinc/52/97/78/742529778.db2.gz IDWZZRWHPGMTSI-UHFFFAOYSA-N -1 3 353.737 2.935 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCCS1 ZINC000826450422 743386370 /nfs/dbraw/zinc/38/63/70/743386370.db2.gz LPEDGMSFVUGXNP-JTQLQIEISA-N -1 3 368.806 2.653 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCCS1 ZINC000826450422 743386381 /nfs/dbraw/zinc/38/63/81/743386381.db2.gz LPEDGMSFVUGXNP-JTQLQIEISA-N -1 3 368.806 2.653 20 5 FFBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000837486323 746457852 /nfs/dbraw/zinc/45/78/52/746457852.db2.gz YJDSSNIVOHNBPC-UHFFFAOYSA-N -1 3 351.265 2.603 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000845977017 748369035 /nfs/dbraw/zinc/36/90/35/748369035.db2.gz TXXPPHPLBIIZFE-WDEREUQCSA-N -1 3 356.828 2.948 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000845984285 748373671 /nfs/dbraw/zinc/37/36/71/748373671.db2.gz WIETUMBQWAVFCM-STQMWFEESA-N -1 3 350.799 2.886 20 5 FFBDHM O=C([N-][C@@H](CCO)c1cccs1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584425 748966184 /nfs/dbraw/zinc/96/61/84/748966184.db2.gz XMIVAZIVGWZMNP-LBPRGKRZSA-N -1 3 372.349 2.868 20 5 FFBDHM O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccco1 ZINC000826404659 948230238 /nfs/dbraw/zinc/23/02/38/948230238.db2.gz IAKIWKPRJCBONJ-LLVKDONJSA-N -1 3 368.353 2.610 20 5 FFBDHM O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccco1 ZINC000826404659 948230241 /nfs/dbraw/zinc/23/02/41/948230241.db2.gz IAKIWKPRJCBONJ-LLVKDONJSA-N -1 3 368.353 2.610 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001535491719 948544753 /nfs/dbraw/zinc/54/47/53/948544753.db2.gz FADMQIDQJLFVMU-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001535491719 948544760 /nfs/dbraw/zinc/54/47/60/948544760.db2.gz FADMQIDQJLFVMU-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM COc1c([O-])ccc(CN2CCn3nc(C(C)(C)C)cc3C2)c1[N+](=O)[O-] ZINC000896942590 973066791 /nfs/dbraw/zinc/06/67/91/973066791.db2.gz GYQKKMJGLPMUSO-UHFFFAOYSA-N -1 3 360.414 2.819 20 5 FFBDHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1cc([N+](=O)[O-])ccc1Cl ZINC001116043779 1032088963 /nfs/dbraw/zinc/08/89/63/1032088963.db2.gz SSJCJTRGJXAENO-UHFFFAOYSA-N -1 3 358.745 2.535 20 5 FFBDHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000436597292 980259268 /nfs/dbraw/zinc/25/92/68/980259268.db2.gz URDRHLSSXNMEJE-UHFFFAOYSA-N -1 3 356.334 2.834 20 5 FFBDHM CCOc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)on1 ZINC001127163711 984750148 /nfs/dbraw/zinc/75/01/48/984750148.db2.gz XGUWZCJOJFVWCX-UHFFFAOYSA-N -1 3 356.132 2.996 20 5 FFBDHM CCO[C@H]1C[C@@](NCc2ccc([N+](=O)[O-])cc2Cl)(C(=O)[O-])C1(C)C ZINC001596837803 985498906 /nfs/dbraw/zinc/49/89/06/985498906.db2.gz KNGIADXWKIPGQQ-XJKSGUPXSA-N -1 3 356.806 2.996 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c(Cl)c1 ZINC001212219509 990102897 /nfs/dbraw/zinc/10/28/97/990102897.db2.gz KQMPWSZBYWJPPM-AWEZNQCLSA-N -1 3 368.798 2.798 20 5 FFBDHM C[C@H](Oc1ccccc1CNCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001593649033 996000280 /nfs/dbraw/zinc/00/02/80/996000280.db2.gz OSKJQGYQFQCGFF-ZDUSSCGKSA-N -1 3 360.366 2.615 20 5 FFBDHM C[C@@H](Oc1ccccc1CNCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001593649032 996000376 /nfs/dbraw/zinc/00/03/76/996000376.db2.gz OSKJQGYQFQCGFF-CYBMUJFWSA-N -1 3 360.366 2.615 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cc([N+](=O)[O-])cn3C)c2)n1 ZINC000744216065 999847957 /nfs/dbraw/zinc/84/79/57/999847957.db2.gz CYMWXMCEGPHWQS-UHFFFAOYSA-N -1 3 354.322 2.624 20 5 FFBDHM CCO[N-]C(=O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000846090881 1000200526 /nfs/dbraw/zinc/20/05/26/1000200526.db2.gz MCHCRZLRYHOAFZ-UHFFFAOYSA-N -1 3 358.398 2.520 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])ccc3F)nc21 ZINC000770756175 1000911213 /nfs/dbraw/zinc/91/12/13/1000911213.db2.gz RKZACMFNMIEAKB-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1C ZINC001192809299 1004284174 /nfs/dbraw/zinc/28/41/74/1004284174.db2.gz IIQWTRMUHJTQHA-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC001134937927 1006558161 /nfs/dbraw/zinc/55/81/61/1006558161.db2.gz ZZSCIFDMBXRFGU-UHFFFAOYSA-N -1 3 354.322 2.900 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001189011268 1006846295 /nfs/dbraw/zinc/84/62/95/1006846295.db2.gz UDIOTDPDIDEFMD-GFCCVEGCSA-N -1 3 360.407 2.670 20 5 FFBDHM COC(=O)c1cc(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)c[n-]1 ZINC000815954170 1006859011 /nfs/dbraw/zinc/85/90/11/1006859011.db2.gz UOGMSMWUCWKFHS-UHFFFAOYSA-N -1 3 371.305 2.722 20 5 FFBDHM Cc1c(C(=O)NCc2ccc([O-])c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132670460 1006969681 /nfs/dbraw/zinc/96/96/81/1006969681.db2.gz NEAPDTJDRMCWNV-UHFFFAOYSA-N -1 3 363.301 2.895 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])s1 ZINC001190264046 1007548479 /nfs/dbraw/zinc/54/84/79/1007548479.db2.gz HOGPVXDGQHKZFK-UHFFFAOYSA-N -1 3 351.409 2.925 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c([O-])c(OC)c1 ZINC001179883791 1009489398 /nfs/dbraw/zinc/48/93/98/1009489398.db2.gz ONDTWVWIVQXEFQ-UHFFFAOYSA-N -1 3 360.322 2.656 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3cnccc3C(F)(F)F)no2)cc1[N+](=O)[O-] ZINC001212843810 1009542597 /nfs/dbraw/zinc/54/25/97/1009542597.db2.gz DAVYCRFMTAKKLM-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM O=C1CCc2c1c(-c1noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n1)ccc2F ZINC001212844211 1009547052 /nfs/dbraw/zinc/54/70/52/1009547052.db2.gz LQZFZLMHHZNRIB-UHFFFAOYSA-N -1 3 356.269 2.680 20 5 FFBDHM COc1cc(C[NH2+]C[C@@H](CC(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC001118979841 1022500751 /nfs/dbraw/zinc/50/07/51/1022500751.db2.gz ZJCXDASHNWJQMW-CYBMUJFWSA-N -1 3 360.366 2.657 20 5 FFBDHM O=C1CCCc2cc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)ccc21 ZINC001212935912 1027435690 /nfs/dbraw/zinc/43/56/90/1027435690.db2.gz UNESPCRMBPHZJF-UHFFFAOYSA-N -1 3 352.306 2.931 20 5 FFBDHM COc1nc([N-]c2ccc(CN)cc2C(F)(F)F)nc(OC)c1[N+](=O)[O-] ZINC001160419242 1027698506 /nfs/dbraw/zinc/69/85/06/1027698506.db2.gz MMAWARTVYKYIMF-UHFFFAOYSA-N -1 3 373.291 2.623 20 5 FFBDHM O=c1[nH][n-]cc1CCCNc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001156285393 1029127015 /nfs/dbraw/zinc/12/70/15/1029127015.db2.gz JELGTXHRBDMYTN-NSHDSACASA-N -1 3 374.788 2.629 20 5 FFBDHM C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225579661 1034318984 /nfs/dbraw/zinc/31/89/84/1034318984.db2.gz OJQLJXAFCBHZNA-LURJTMIESA-N -1 3 373.243 2.978 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@@H](F)C1 ZINC001225660837 1034354724 /nfs/dbraw/zinc/35/47/24/1034354724.db2.gz HJUWWURBNNJNEV-CMPLNLGQSA-N -1 3 371.365 2.812 20 5 FFBDHM C[C@@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001225660780 1034355089 /nfs/dbraw/zinc/35/50/89/1034355089.db2.gz GKTIPJQSRYNKBC-MNOVXSKESA-N -1 3 353.375 2.862 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3nccc([O-])c3[N+](=O)[O-])C[C@@H]2C1 ZINC001225662463 1034356928 /nfs/dbraw/zinc/35/69/28/1034356928.db2.gz TXIHBNABHMZUFO-ZSBIGDGJSA-N -1 3 365.386 2.720 20 5 FFBDHM O=c1nc2nccnc2c(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001226989787 1034903236 /nfs/dbraw/zinc/90/32/36/1034903236.db2.gz MYNZVPPBSPEJOZ-SNVBAGLBSA-N -1 3 367.243 2.716 20 5 FFBDHM CCOC(=O)[C@@H]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CO1 ZINC001233497823 1036661763 /nfs/dbraw/zinc/66/17/63/1036661763.db2.gz IFZFGDJXPYPALK-OQPBUACISA-N -1 3 369.761 2.614 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC001229958333 1037002611 /nfs/dbraw/zinc/00/26/11/1037002611.db2.gz QZCMTSNHIHUIIY-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC001229958333 1037002630 /nfs/dbraw/zinc/00/26/30/1037002630.db2.gz QZCMTSNHIHUIIY-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM Cc1cc(=O)c([N+](=O)[O-])c(OC[C@@H]2CN(Cc3ccccc3)CCCO2)[n-]1 ZINC001231265155 1037518576 /nfs/dbraw/zinc/51/85/76/1037518576.db2.gz ZFRCWTQHASFIRD-INIZCTEOSA-N -1 3 373.409 2.674 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(Cc3cccc(F)c3)o2)c1Br ZINC001258545204 1039424059 /nfs/dbraw/zinc/42/40/59/1039424059.db2.gz PQKMKZMPBGXNJG-UHFFFAOYSA-N -1 3 368.122 2.860 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(Cc3cccc(F)c3)o2)c1Br ZINC001258545204 1039424060 /nfs/dbraw/zinc/42/40/60/1039424060.db2.gz PQKMKZMPBGXNJG-UHFFFAOYSA-N -1 3 368.122 2.860 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc3ccnn32)no1 ZINC001248002355 1040096361 /nfs/dbraw/zinc/09/63/61/1040096361.db2.gz UTBCGMUPDFHMJJ-UHFFFAOYSA-N -1 3 350.294 2.545 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C)c([N+](=O)[O-])c2)c([N+](=O)[O-])s1 ZINC001213448902 1040562485 /nfs/dbraw/zinc/56/24/85/1040562485.db2.gz ZURMTPZSVQQVLO-UHFFFAOYSA-N -1 3 371.396 2.660 20 5 FFBDHM COc1cc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc(OC)c1[O-] ZINC001215210644 1041701276 /nfs/dbraw/zinc/70/12/76/1041701276.db2.gz IRIFVIHPWUJQNI-UHFFFAOYSA-N -1 3 362.273 2.569 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2c2ccccc2)nc1 ZINC001309529803 1043424823 /nfs/dbraw/zinc/42/48/23/1043424823.db2.gz WVXQYCWAKXWIDS-HOCLYGCPSA-N -1 3 361.423 2.852 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2cnn(C)c2)ns1 ZINC001289591426 1047706685 /nfs/dbraw/zinc/70/66/85/1047706685.db2.gz YFTHJXZELMVSCB-UHFFFAOYSA-N -1 3 362.346 2.547 20 5 FFBDHM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001293074856 1049480160 /nfs/dbraw/zinc/48/01/60/1049480160.db2.gz RKCQIKJPJJUYPX-UHFFFAOYSA-N -1 3 359.338 2.858 20 5 FFBDHM COC(=O)c1ccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c(OC)c1 ZINC001308693848 1052487078 /nfs/dbraw/zinc/48/70/78/1052487078.db2.gz CHBJMCCUOLSJDB-UHFFFAOYSA-N -1 3 362.338 2.716 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc3ccccc3c2)nc1 ZINC001309046040 1052545654 /nfs/dbraw/zinc/54/56/54/1052545654.db2.gz BNLNWQWAOLJULT-UHFFFAOYSA-N -1 3 373.390 2.500 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCC(F)F ZINC001350876258 1055979504 /nfs/dbraw/zinc/97/95/04/1055979504.db2.gz KJNPXKSWGFHVHU-UHFFFAOYSA-N -1 3 362.276 2.937 20 5 FFBDHM CC(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCO)n1 ZINC001455480468 1059799752 /nfs/dbraw/zinc/79/97/52/1059799752.db2.gz IUQPVHFGFJFZLA-UHFFFAOYSA-N -1 3 368.440 2.906 20 5 FFBDHM Cc1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1[N+](=O)[O-] ZINC001456937666 1060233893 /nfs/dbraw/zinc/23/38/93/1060233893.db2.gz ROEXMAQVMLNOAY-MQMHXKEQSA-N -1 3 356.382 2.855 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001475188590 1060987511 /nfs/dbraw/zinc/98/75/11/1060987511.db2.gz JFZGQEABBLELCK-NEPJUHHUSA-N -1 3 360.407 2.526 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[n-]n1 ZINC000542834030 1061001445 /nfs/dbraw/zinc/00/14/45/1061001445.db2.gz ZDFCKCCNCXWZSD-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[n-]1 ZINC000542834030 1061001457 /nfs/dbraw/zinc/00/14/57/1061001457.db2.gz ZDFCKCCNCXWZSD-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001475918933 1061309598 /nfs/dbraw/zinc/30/95/98/1061309598.db2.gz LAWFYUVJEPGWDQ-UHFFFAOYSA-N -1 3 373.760 2.996 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001475918933 1061309614 /nfs/dbraw/zinc/30/96/14/1061309614.db2.gz LAWFYUVJEPGWDQ-UHFFFAOYSA-N -1 3 373.760 2.996 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001476713047 1061463469 /nfs/dbraw/zinc/46/34/69/1061463469.db2.gz SPMAPLOKLMDJPO-UHFFFAOYSA-N -1 3 367.369 2.905 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001476713047 1061463477 /nfs/dbraw/zinc/46/34/77/1061463477.db2.gz SPMAPLOKLMDJPO-UHFFFAOYSA-N -1 3 367.369 2.905 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]Cc1nccs1 ZINC001462831764 1061796553 /nfs/dbraw/zinc/79/65/53/1061796553.db2.gz HAZPDMRQUFBQIX-UHFFFAOYSA-N -1 3 367.330 2.549 20 5 FFBDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC001463483733 1062125007 /nfs/dbraw/zinc/12/50/07/1062125007.db2.gz HCDLECDZXZQTIC-VIFPVBQESA-N -1 3 373.431 2.889 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ncnc3ccsc32)cc([N+](=O)[O-])c1 ZINC001530233525 1062523484 /nfs/dbraw/zinc/52/34/84/1062523484.db2.gz WPRNNMUXIALYPN-UHFFFAOYSA-N -1 3 358.335 2.638 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(C)n(-c2ccccc2)n1 ZINC001436387081 1062711228 /nfs/dbraw/zinc/71/12/28/1062711228.db2.gz SSGDFEUOTCYLKG-UHFFFAOYSA-N -1 3 353.338 2.745 20 5 FFBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC001464812128 1062840883 /nfs/dbraw/zinc/84/08/83/1062840883.db2.gz RCIYMRPJOWWMCT-UHFFFAOYSA-N -1 3 357.244 2.871 20 5 FFBDHM O=c1[n-]ccc(N2CCN(c3ccc4ccccc4n3)CC2)c1[N+](=O)[O-] ZINC001472718344 1065133631 /nfs/dbraw/zinc/13/36/31/1065133631.db2.gz YTQDSYTUYKHDIZ-UHFFFAOYSA-N -1 3 351.366 2.570 20 5 FFBDHM CCO[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C12CCCC2 ZINC001578336138 1078465342 /nfs/dbraw/zinc/46/53/42/1078465342.db2.gz ZIYLTMGKWAQQFC-KGLIPLIRSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C12CCCC2 ZINC001578336138 1078465345 /nfs/dbraw/zinc/46/53/45/1078465345.db2.gz ZIYLTMGKWAQQFC-KGLIPLIRSA-N -1 3 358.402 2.925 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCCC[C@@H]2CC2(Cl)Cl)c1-c1nnn[n-]1 ZINC001581909699 1079013985 /nfs/dbraw/zinc/01/39/85/1079013985.db2.gz QKVBSETUKUMHNA-SSDOTTSWSA-N -1 3 372.216 2.743 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCCC[C@@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC001581909699 1079013995 /nfs/dbraw/zinc/01/39/95/1079013995.db2.gz QKVBSETUKUMHNA-SSDOTTSWSA-N -1 3 372.216 2.743 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC001570014197 1077177547 /nfs/dbraw/zinc/17/75/47/1077177547.db2.gz AEVWNXLURWIRBB-UHFFFAOYSA-N -1 3 354.322 2.895 20 5 FFBDHM CC(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001588914967 1080261574 /nfs/dbraw/zinc/26/15/74/1080261574.db2.gz DVJLYIMXGJOTNR-UHFFFAOYSA-N -1 3 352.354 2.632 20 5 FFBDHM CC(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001588914967 1080261580 /nfs/dbraw/zinc/26/15/80/1080261580.db2.gz DVJLYIMXGJOTNR-UHFFFAOYSA-N -1 3 352.354 2.632 20 5 FFBDHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589029457 1080315213 /nfs/dbraw/zinc/31/52/13/1080315213.db2.gz BCKVZERXVFINIJ-SNVBAGLBSA-N -1 3 371.328 2.761 20 5 FFBDHM C[C@@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589029457 1080315217 /nfs/dbraw/zinc/31/52/17/1080315217.db2.gz BCKVZERXVFINIJ-SNVBAGLBSA-N -1 3 371.328 2.761 20 5 FFBDHM CC(C)(NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001589319269 1080480966 /nfs/dbraw/zinc/48/09/66/1080480966.db2.gz IMUZSAIXNLAWPX-UHFFFAOYSA-N -1 3 370.344 2.579 20 5 FFBDHM CC(C)(NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001589319269 1080480969 /nfs/dbraw/zinc/48/09/69/1080480969.db2.gz IMUZSAIXNLAWPX-UHFFFAOYSA-N -1 3 370.344 2.579 20 5 FFBDHM CC(C)Oc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589751418 1080703664 /nfs/dbraw/zinc/70/36/64/1080703664.db2.gz YISJEGOYIYIPSY-UHFFFAOYSA-N -1 3 374.382 2.876 20 5 FFBDHM CC(C)Oc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589751418 1080703666 /nfs/dbraw/zinc/70/36/66/1080703666.db2.gz YISJEGOYIYIPSY-UHFFFAOYSA-N -1 3 374.382 2.876 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589803263 1080759009 /nfs/dbraw/zinc/75/90/09/1080759009.db2.gz MICLSAKPEXKFOK-MGPLVRAMSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589803263 1080759014 /nfs/dbraw/zinc/75/90/14/1080759014.db2.gz MICLSAKPEXKFOK-MGPLVRAMSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccccc1 ZINC001589875506 1080823814 /nfs/dbraw/zinc/82/38/14/1080823814.db2.gz GRGIQTQRNCHHCY-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccccc1 ZINC001589875506 1080823818 /nfs/dbraw/zinc/82/38/18/1080823818.db2.gz GRGIQTQRNCHHCY-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc(-c2nnn[n-]2)cc1 ZINC001589981008 1080920068 /nfs/dbraw/zinc/92/00/68/1080920068.db2.gz SOXJOBBQPFTICU-SECBINFHSA-N -1 3 358.333 2.579 20 5 FFBDHM C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1ccc(-c2nn[n-]n2)cc1 ZINC001589981008 1080920072 /nfs/dbraw/zinc/92/00/72/1080920072.db2.gz SOXJOBBQPFTICU-SECBINFHSA-N -1 3 358.333 2.579 20 5 FFBDHM CC1(C)C[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001590079401 1080993919 /nfs/dbraw/zinc/99/39/19/1080993919.db2.gz GWEIVOAFKILYPY-SECBINFHSA-N -1 3 364.381 2.920 20 5 FFBDHM CC1(C)C[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001590079401 1080993927 /nfs/dbraw/zinc/99/39/27/1080993927.db2.gz GWEIVOAFKILYPY-SECBINFHSA-N -1 3 364.381 2.920 20 5 FFBDHM C[C@]1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001590153182 1081054001 /nfs/dbraw/zinc/05/40/01/1081054001.db2.gz IZSRQHWTSYKCLM-GOSISDBHSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@]1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001590153182 1081054006 /nfs/dbraw/zinc/05/40/06/1081054006.db2.gz IZSRQHWTSYKCLM-GOSISDBHSA-N -1 3 366.381 2.527 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C(C)C)[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000451839417 514016715 /nfs/dbraw/zinc/01/67/15/514016715.db2.gz CIEVBWTXAWQGFA-FZMZJTMJSA-N -1 3 364.489 2.532 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000273692447 255778358 /nfs/dbraw/zinc/77/83/58/255778358.db2.gz MEBVIBQCPKNVRV-CQSZACIVSA-N -1 3 368.411 2.693 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2(C)CCOCC2)c1 ZINC000272440631 252039575 /nfs/dbraw/zinc/03/95/75/252039575.db2.gz IFRBCEHSIOMHPY-UHFFFAOYSA-N -1 3 362.835 2.652 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c1 ZINC000272461069 252044683 /nfs/dbraw/zinc/04/46/83/252044683.db2.gz LMTYPQKSFFGWMV-NSHDSACASA-N -1 3 374.846 2.937 20 5 FFBDHM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274880435 255931413 /nfs/dbraw/zinc/93/14/13/255931413.db2.gz CNUHIOXGKFTFGM-ZDUSSCGKSA-N -1 3 373.365 2.896 20 5 FFBDHM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ncnn1C ZINC000276924941 256143051 /nfs/dbraw/zinc/14/30/51/256143051.db2.gz PANOOWMKWJKQGB-LURJTMIESA-N -1 3 360.252 2.823 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1NCC[N-]S(=O)(=O)c1cccs1 ZINC000301766921 258066600 /nfs/dbraw/zinc/06/66/00/258066600.db2.gz IHWXTNJWODHFFQ-UHFFFAOYSA-N -1 3 361.832 2.700 20 5 FFBDHM O=C(c1cccc([O-])c1)N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301794573 258068152 /nfs/dbraw/zinc/06/81/52/258068152.db2.gz PUHVFCXIQYCWSX-UHFFFAOYSA-N -1 3 363.320 2.541 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067434132 506879110 /nfs/dbraw/zinc/87/91/10/506879110.db2.gz RIVLYPAKTOLYJG-KGLIPLIRSA-N -1 3 366.370 2.577 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000057019475 507150150 /nfs/dbraw/zinc/15/01/50/507150150.db2.gz LJOFWGLEGZGGFN-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1[O-] ZINC000057289303 507232032 /nfs/dbraw/zinc/23/20/32/507232032.db2.gz JYDQWWVKRBTJMO-UHFFFAOYSA-N -1 3 363.757 2.712 20 5 FFBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)n1 ZINC000049304488 507611751 /nfs/dbraw/zinc/61/17/51/507611751.db2.gz CZJQMQBKBZKKIY-UHFFFAOYSA-N -1 3 354.322 2.753 20 5 FFBDHM CC(C)OCc1ccccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000028043655 507704850 /nfs/dbraw/zinc/70/48/50/507704850.db2.gz DEKHOXMADFGBLA-UHFFFAOYSA-N -1 3 364.423 2.998 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000030495966 507809457 /nfs/dbraw/zinc/80/94/57/507809457.db2.gz GPBOTGOLSCDYCR-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000080282448 508061698 /nfs/dbraw/zinc/06/16/98/508061698.db2.gz IYKXNIAZSHWSFN-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000092602171 508085916 /nfs/dbraw/zinc/08/59/16/508085916.db2.gz YCACDVMKZAKPIB-UHFFFAOYSA-N -1 3 366.381 2.876 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000092602171 508085919 /nfs/dbraw/zinc/08/59/19/508085919.db2.gz YCACDVMKZAKPIB-UHFFFAOYSA-N -1 3 366.381 2.876 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000111363347 508093694 /nfs/dbraw/zinc/09/36/94/508093694.db2.gz JVADONFPZRHWRM-JTQLQIEISA-N -1 3 355.441 2.962 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1C ZINC000111368227 508094284 /nfs/dbraw/zinc/09/42/84/508094284.db2.gz IKIKIRHYNVTXQD-GTNSWQLSSA-N -1 3 362.407 2.815 20 5 FFBDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000076195571 508168034 /nfs/dbraw/zinc/16/80/34/508168034.db2.gz SENRPSVOWYVCNS-UHFFFAOYSA-N -1 3 363.395 2.999 20 5 FFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N(C[C@@H]1CCCO1)c1ccncc1 ZINC000114135522 508295748 /nfs/dbraw/zinc/29/57/48/508295748.db2.gz FPJNOMDEERYCRW-AWEZNQCLSA-N -1 3 367.365 2.692 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000088718030 508381784 /nfs/dbraw/zinc/38/17/84/508381784.db2.gz YSFGSNXNVVVGKK-GOSISDBHSA-N -1 3 354.366 2.570 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000088780355 508384070 /nfs/dbraw/zinc/38/40/70/508384070.db2.gz BPGDURSVRQKKNS-UHFFFAOYSA-N -1 3 367.427 2.803 20 5 FFBDHM CCOc1ccc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)cc1[N+](=O)[O-] ZINC000157059389 508517449 /nfs/dbraw/zinc/51/74/49/508517449.db2.gz UTUURBUCDLORLW-UHFFFAOYSA-N -1 3 361.745 2.942 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117114576 508579947 /nfs/dbraw/zinc/57/99/47/508579947.db2.gz SAIAZAAWRKLXSY-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM CCc1nc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000123533456 508701725 /nfs/dbraw/zinc/70/17/25/508701725.db2.gz ZBECLXCGWONMHW-UHFFFAOYSA-N -1 3 361.470 2.505 20 5 FFBDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000154259493 508747072 /nfs/dbraw/zinc/74/70/72/508747072.db2.gz CSKJNNGZVJLNMZ-CYBMUJFWSA-N -1 3 364.423 2.761 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000154304259 508755574 /nfs/dbraw/zinc/75/55/74/508755574.db2.gz DMWJMUPLUOJHPM-UHOFOFEASA-N -1 3 364.810 2.865 20 5 FFBDHM O=c1[n-]nc(SCc2c(Cl)cccc2[N+](=O)[O-])n1C[C@H]1CCCO1 ZINC000154321239 508760429 /nfs/dbraw/zinc/76/04/29/508760429.db2.gz IAGUWADQTGUWRX-SECBINFHSA-N -1 3 370.818 2.604 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1c(C)noc1C ZINC000119308532 508769611 /nfs/dbraw/zinc/76/96/11/508769611.db2.gz MUPLCZKARGGBDQ-CYBMUJFWSA-N -1 3 353.400 2.938 20 5 FFBDHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000131936689 508983362 /nfs/dbraw/zinc/98/33/62/508983362.db2.gz PGGUQZMGVCEIOR-CQSZACIVSA-N -1 3 362.407 2.878 20 5 FFBDHM COc1cc(C)cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000125706442 509019518 /nfs/dbraw/zinc/01/95/18/509019518.db2.gz HRGDDLHBBLCCHS-UHFFFAOYSA-N -1 3 356.425 2.760 20 5 FFBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccccc1[N+](=O)[O-] ZINC000151546154 509040847 /nfs/dbraw/zinc/04/08/47/509040847.db2.gz RRZRKFLFWZOZAL-UHFFFAOYSA-N -1 3 351.156 2.993 20 5 FFBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000151616722 509053221 /nfs/dbraw/zinc/05/32/21/509053221.db2.gz QGLZKEFXLHFKRL-UHFFFAOYSA-N -1 3 351.156 2.993 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1C ZINC000121674550 509180394 /nfs/dbraw/zinc/18/03/94/509180394.db2.gz SBINELZDNKVXBT-HYVNUMGLSA-N -1 3 358.419 2.828 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000248510637 509345243 /nfs/dbraw/zinc/34/52/43/509345243.db2.gz AIQMLZOKQPSUPE-KCXAZCMYSA-N -1 3 361.398 2.559 20 5 FFBDHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164131233 509468266 /nfs/dbraw/zinc/46/82/66/509468266.db2.gz PKARNEQOLKQXKO-INIZCTEOSA-N -1 3 355.394 2.867 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000186186150 509565847 /nfs/dbraw/zinc/56/58/47/509565847.db2.gz SCTQRTWPDZFXSC-UHFFFAOYSA-N -1 3 358.391 2.911 20 5 FFBDHM Cn1ncnc1[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192723423 509615219 /nfs/dbraw/zinc/61/52/19/509615219.db2.gz IDFIWOLVUZFNNA-UHFFFAOYSA-N -1 3 353.338 2.555 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[n-]1 ZINC000183273751 509693009 /nfs/dbraw/zinc/69/30/09/509693009.db2.gz XKAJTDGRKYLZTH-UHFFFAOYSA-N -1 3 360.351 2.962 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[n-]n1 ZINC000183273751 509693015 /nfs/dbraw/zinc/69/30/15/509693015.db2.gz XKAJTDGRKYLZTH-UHFFFAOYSA-N -1 3 360.351 2.962 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000170735430 509745215 /nfs/dbraw/zinc/74/52/15/509745215.db2.gz ZYSFHWXSVDDVBZ-CQSZACIVSA-N -1 3 350.396 2.569 20 5 FFBDHM CC(=O)Nc1sc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000187029632 510016690 /nfs/dbraw/zinc/01/66/90/510016690.db2.gz BBGIOMPSZJQGBZ-UHFFFAOYSA-N -1 3 372.366 2.652 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(O)cccc32)c(F)c1 ZINC000190335522 510070909 /nfs/dbraw/zinc/07/09/09/510070909.db2.gz HIKJAAYJUGWFKR-CQSZACIVSA-N -1 3 366.370 2.795 20 5 FFBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000193827924 510088027 /nfs/dbraw/zinc/08/80/27/510088027.db2.gz DDXYJMKGMVTEIW-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194019944 510179398 /nfs/dbraw/zinc/17/93/98/510179398.db2.gz LYWSHBOHKIOZEV-MRXNPFEDSA-N -1 3 372.425 2.582 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc2ccccc2n1 ZINC000171484634 510187240 /nfs/dbraw/zinc/18/72/40/510187240.db2.gz LMLSVYMDHOKZMS-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182147956 510782449 /nfs/dbraw/zinc/78/24/49/510782449.db2.gz ZWXTWEGGUQWWRC-CYBMUJFWSA-N -1 3 370.409 2.651 20 5 FFBDHM Cc1noc(C)c1S(=O)(=O)[N-]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000172664376 510839430 /nfs/dbraw/zinc/83/94/30/510839430.db2.gz QPWWWPAKVYEMHX-UHFFFAOYSA-N -1 3 353.400 2.501 20 5 FFBDHM CCc1nnc(C[N-]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000294922151 511222490 /nfs/dbraw/zinc/22/24/90/511222490.db2.gz JXSQAEHLSAWYTO-UHFFFAOYSA-N -1 3 360.252 2.814 20 5 FFBDHM CCOC(=O)c1nc([N-]C(=O)c2c(OCC)cccc2[N+](=O)[O-])oc1C ZINC000280097975 511334128 /nfs/dbraw/zinc/33/41/28/511334128.db2.gz SKWXWTKIBMVGMC-UHFFFAOYSA-N -1 3 363.326 2.719 20 5 FFBDHM CC(C)Cc1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000272161294 511451432 /nfs/dbraw/zinc/45/14/32/511451432.db2.gz FXAKVHFJXWJABX-UHFFFAOYSA-N -1 3 350.356 2.626 20 5 FFBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000326315333 511856349 /nfs/dbraw/zinc/85/63/49/511856349.db2.gz WHIGBDHKWUZPDC-UHFFFAOYSA-N -1 3 358.416 2.629 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCCC1(C)C ZINC000328047895 511885057 /nfs/dbraw/zinc/88/50/57/511885057.db2.gz GPOOZHZAUNRQLS-AWEZNQCLSA-N -1 3 370.427 2.629 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(O)CCCCCC2)cc1C ZINC000392509412 512925979 /nfs/dbraw/zinc/92/59/79/512925979.db2.gz JTUGRCKNTNKVCB-UHFFFAOYSA-N -1 3 356.444 2.575 20 5 FFBDHM C[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397929283 512950925 /nfs/dbraw/zinc/95/09/25/512950925.db2.gz AWKCQGUNCXCTTE-WFASDCNBSA-N -1 3 356.382 2.763 20 5 FFBDHM CO[C@@H](CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000417639881 513131076 /nfs/dbraw/zinc/13/10/76/513131076.db2.gz UWVQADCPXFPNFJ-MRXNPFEDSA-N -1 3 373.409 2.942 20 5 FFBDHM CC[C@H](C)N(CC(=O)[O-])Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000442763644 513774437 /nfs/dbraw/zinc/77/44/37/513774437.db2.gz DQWYFOCNZNVAHA-VIFPVBQESA-N -1 3 362.329 2.890 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000416475499 513790998 /nfs/dbraw/zinc/79/09/98/513790998.db2.gz JTBIDUISTQCBPI-GDGBQDQQSA-N -1 3 350.318 2.690 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)cc1C ZINC000416500684 513804293 /nfs/dbraw/zinc/80/42/93/513804293.db2.gz DROCEZIZEOWAKF-ZDUSSCGKSA-N -1 3 356.444 2.695 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c(Cl)c1 ZINC000416503854 513806309 /nfs/dbraw/zinc/80/63/09/513806309.db2.gz XMFHIBYHHZOLPL-UHFFFAOYSA-N -1 3 354.762 2.962 20 5 FFBDHM Cc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000436617407 513918277 /nfs/dbraw/zinc/91/82/77/513918277.db2.gz IAAWPFUVEJKMTH-UHFFFAOYSA-N -1 3 359.357 2.710 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436968164 514054702 /nfs/dbraw/zinc/05/47/02/514054702.db2.gz SSFNVSSEJBAXPN-UKRRQHHQSA-N -1 3 355.394 2.866 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(Cc2ccc(F)cc2)CC1 ZINC000451946974 514086925 /nfs/dbraw/zinc/08/69/25/514086925.db2.gz NTQXWRDPXMOOBU-UHFFFAOYSA-N -1 3 350.371 2.788 20 5 FFBDHM COC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000427252104 514161529 /nfs/dbraw/zinc/16/15/29/514161529.db2.gz VFDBMKRBTNYWSA-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM COc1cc(F)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000452087803 514183244 /nfs/dbraw/zinc/18/32/44/514183244.db2.gz NCHJMOHHMVEUGH-LLVKDONJSA-N -1 3 368.386 2.652 20 5 FFBDHM CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)[C@H]1C[C@@H]1C ZINC000452159986 514223210 /nfs/dbraw/zinc/22/32/10/514223210.db2.gz SZWDCWDQVQXFAY-QFYYESIMSA-N -1 3 370.365 2.709 20 5 FFBDHM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1[O-])CCCC2 ZINC000444640703 514281644 /nfs/dbraw/zinc/28/16/44/514281644.db2.gz DNEKNVKQZBVZLW-UHFFFAOYSA-N -1 3 366.377 2.986 20 5 FFBDHM Cc1cc(OCC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000438237564 514336537 /nfs/dbraw/zinc/33/65/37/514336537.db2.gz NVQVWHNIZJDREI-UHFFFAOYSA-N -1 3 352.350 2.733 20 5 FFBDHM COc1ccc(-c2ccc(CN[C@@H]3C=C[C@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000417628398 514442012 /nfs/dbraw/zinc/44/20/12/514442012.db2.gz WFPCBPYWPQYQRM-NWDGAFQWSA-N -1 3 358.350 2.982 20 5 FFBDHM COc1cc(NCCCNC(=O)c2cccc([O-])c2)c(F)cc1[N+](=O)[O-] ZINC000508251006 514721825 /nfs/dbraw/zinc/72/18/25/514721825.db2.gz XODSEQCHINLISL-UHFFFAOYSA-N -1 3 363.345 2.680 20 5 FFBDHM COc1cc(CN[C@@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000453632560 514740243 /nfs/dbraw/zinc/74/02/43/514740243.db2.gz PSRPXWNBTGTVJN-MRXNPFEDSA-N -1 3 360.410 2.619 20 5 FFBDHM COC(=O)c1ncc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1Cl ZINC000508451773 514783317 /nfs/dbraw/zinc/78/33/17/514783317.db2.gz LSIVKSFKWKJRNF-UHFFFAOYSA-N -1 3 367.745 2.756 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000480049482 514822992 /nfs/dbraw/zinc/82/29/92/514822992.db2.gz UTFMOJKKDPLHLK-CQSZACIVSA-N -1 3 368.411 2.861 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)nc1 ZINC000508679106 514863663 /nfs/dbraw/zinc/86/36/63/514863663.db2.gz LMHJDSYXDZVLNK-SNVBAGLBSA-N -1 3 350.325 2.660 20 5 FFBDHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000462122653 514895527 /nfs/dbraw/zinc/89/55/27/514895527.db2.gz SSCYGHZCQVPGGO-UHFFFAOYSA-N -1 3 362.407 2.767 20 5 FFBDHM Cc1ncc(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)c(=O)[n-]1 ZINC000485406513 515028760 /nfs/dbraw/zinc/02/87/60/515028760.db2.gz CGSJMYXQLSCNDV-UHFFFAOYSA-N -1 3 355.329 2.634 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000480694791 515046915 /nfs/dbraw/zinc/04/69/15/515046915.db2.gz NQXGKDRFMDYDDW-IAGOWNOFSA-N -1 3 368.455 2.695 20 5 FFBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])nc2c1 ZINC000480925174 515137614 /nfs/dbraw/zinc/13/76/14/515137614.db2.gz IFPYLDYNVMXUND-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462599585 515146080 /nfs/dbraw/zinc/14/60/80/515146080.db2.gz BMAQPUCZGZFHBM-ZDUSSCGKSA-N -1 3 366.443 2.683 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c1C ZINC000481014852 515173810 /nfs/dbraw/zinc/17/38/10/515173810.db2.gz ZUFQWRAXZIYTPX-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000481054526 515188551 /nfs/dbraw/zinc/18/85/51/515188551.db2.gz GCHUXXUHWYOSMY-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM O=C([N-]c1nnc2ccccn21)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000485793038 515190065 /nfs/dbraw/zinc/19/00/65/515190065.db2.gz BELOTNNAZNIAEJ-UHFFFAOYSA-N -1 3 351.244 2.909 20 5 FFBDHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000462711717 515205437 /nfs/dbraw/zinc/20/54/37/515205437.db2.gz LRNNKSXUAVRAIN-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000490451237 515216998 /nfs/dbraw/zinc/21/69/98/515216998.db2.gz GAACIOBMIZIANR-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c1 ZINC000468215664 515267069 /nfs/dbraw/zinc/26/70/69/515267069.db2.gz OFJRBMTVECGREE-UHFFFAOYSA-N -1 3 357.301 2.780 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)o1 ZINC000490649356 515272042 /nfs/dbraw/zinc/27/20/42/515272042.db2.gz WCONQUFCGCZSPC-UHFFFAOYSA-N -1 3 367.427 2.885 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)c([N+](=O)[O-])c1 ZINC000476980093 515274986 /nfs/dbraw/zinc/27/49/86/515274986.db2.gz MSUHPRSWTYTFKQ-CQSZACIVSA-N -1 3 362.407 2.932 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000509809565 515332027 /nfs/dbraw/zinc/33/20/27/515332027.db2.gz XQGXKXKCGMIXJF-LBPRGKRZSA-N -1 3 352.387 2.952 20 5 FFBDHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccc([N+](=O)[O-])cc1 ZINC000477284267 515397393 /nfs/dbraw/zinc/39/73/93/515397393.db2.gz URYHREKBOQJDKL-UHFFFAOYSA-N -1 3 365.183 2.922 20 5 FFBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000486610675 515561131 /nfs/dbraw/zinc/56/11/31/515561131.db2.gz HYBNMGZRVYODTF-MWLCHTKSSA-N -1 3 367.431 2.574 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC(C)(C)C1 ZINC000469169070 515702494 /nfs/dbraw/zinc/70/24/94/515702494.db2.gz OIIJQHKMRUIAFP-NSHDSACASA-N -1 3 370.427 2.629 20 5 FFBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000469251775 515742378 /nfs/dbraw/zinc/74/23/78/515742378.db2.gz WSGVIVXKQPZOPL-GFCCVEGCSA-N -1 3 363.505 2.691 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000487140021 515773695 /nfs/dbraw/zinc/77/36/95/515773695.db2.gz SUOVLANOLJGRQO-BBRMVZONSA-N -1 3 356.444 2.633 20 5 FFBDHM CSc1nnc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[n-]1 ZINC000511515899 515931472 /nfs/dbraw/zinc/93/14/72/515931472.db2.gz XHPQCUXPINCEBN-UHFFFAOYSA-N -1 3 372.204 2.758 20 5 FFBDHM CSc1n[n-]c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000511515899 515931482 /nfs/dbraw/zinc/93/14/82/515931482.db2.gz XHPQCUXPINCEBN-UHFFFAOYSA-N -1 3 372.204 2.758 20 5 FFBDHM CSc1nc(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n[n-]1 ZINC000511515899 515931489 /nfs/dbraw/zinc/93/14/89/515931489.db2.gz XHPQCUXPINCEBN-UHFFFAOYSA-N -1 3 372.204 2.758 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(F)c(F)c3)cs2)n1 ZINC000495303287 516133421 /nfs/dbraw/zinc/13/34/21/516133421.db2.gz FNVQRJGOHQEYQC-UHFFFAOYSA-N -1 3 365.321 2.982 20 5 FFBDHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000460430012 516151361 /nfs/dbraw/zinc/15/13/61/516151361.db2.gz VIDSDSDNIFOOEP-SECBINFHSA-N -1 3 365.358 2.585 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1 ZINC000507537272 516236043 /nfs/dbraw/zinc/23/60/43/516236043.db2.gz YDWCMJQZQXAAFZ-AWEZNQCLSA-N -1 3 369.468 2.546 20 5 FFBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000497570532 516326755 /nfs/dbraw/zinc/32/67/55/516326755.db2.gz FHFGHDHAIFVDGQ-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)cc1C ZINC000523495921 516487734 /nfs/dbraw/zinc/48/77/34/516487734.db2.gz CBXKJJSGKRAKOH-UHFFFAOYSA-N -1 3 362.407 2.625 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCO[C@H](C)C2)c1C ZINC000541311935 516981305 /nfs/dbraw/zinc/98/13/05/516981305.db2.gz BKGBVDJXWXQKFY-OCCSQVGLSA-N -1 3 356.444 2.695 20 5 FFBDHM O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552170052 517119401 /nfs/dbraw/zinc/11/94/01/517119401.db2.gz XBTBXOHNKZXEEF-UHFFFAOYSA-N -1 3 368.737 2.881 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)c1C ZINC000533553701 517521892 /nfs/dbraw/zinc/52/18/92/517521892.db2.gz WFTHGLCJZIMYMW-INIZCTEOSA-N -1 3 364.423 2.532 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c(F)c1 ZINC000533913350 517665570 /nfs/dbraw/zinc/66/55/70/517665570.db2.gz AFRDSJMAOQMAJY-HNNXBMFYSA-N -1 3 351.359 2.559 20 5 FFBDHM Cc1ccccc1-c1cc(=NC(=O)CNc2ccccc2[N+](=O)[O-])[nH][n-]1 ZINC000539321645 517991656 /nfs/dbraw/zinc/99/16/56/517991656.db2.gz BQYAPRJBSVSDHW-UHFFFAOYSA-N -1 3 351.366 2.766 20 5 FFBDHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543496164 518118428 /nfs/dbraw/zinc/11/84/28/518118428.db2.gz CLSSEXHPYOQZTP-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543496164 518118433 /nfs/dbraw/zinc/11/84/33/518118433.db2.gz CLSSEXHPYOQZTP-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM O=C([N-]c1cc(-c2ccccc2)on1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531118926 518144119 /nfs/dbraw/zinc/14/41/19/518144119.db2.gz OOILAIXSVUFEAD-UHFFFAOYSA-N -1 3 367.317 2.695 20 5 FFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000535361968 518176452 /nfs/dbraw/zinc/17/64/52/518176452.db2.gz LRXATSFLNFYXPY-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COC(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc([N+](=O)[O-])c1 ZINC000564073770 518294829 /nfs/dbraw/zinc/29/48/29/518294829.db2.gz SSCQALZUOADTAE-UHFFFAOYSA-N -1 3 358.306 2.542 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000564092847 518303714 /nfs/dbraw/zinc/30/37/14/518303714.db2.gz KAMGCOZFKATJLT-LBPRGKRZSA-N -1 3 352.334 2.831 20 5 FFBDHM CNC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1Br ZINC000581492898 518313400 /nfs/dbraw/zinc/31/34/00/518313400.db2.gz WIRSFIIBERWPNR-UHFFFAOYSA-N -1 3 368.143 2.562 20 5 FFBDHM CS[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000567197042 518399505 /nfs/dbraw/zinc/39/95/05/518399505.db2.gz GMQZAYIRHVUTRZ-LBPRGKRZSA-N -1 3 350.437 2.790 20 5 FFBDHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2nn[n-]c21 ZINC000573077990 518495729 /nfs/dbraw/zinc/49/57/29/518495729.db2.gz VVOWIWYZRGIHRR-UHFFFAOYSA-N -1 3 362.143 2.881 20 5 FFBDHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2[n-]nnc21 ZINC000573077990 518495732 /nfs/dbraw/zinc/49/57/32/518495732.db2.gz VVOWIWYZRGIHRR-UHFFFAOYSA-N -1 3 362.143 2.881 20 5 FFBDHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cccc2n[n-]nc21 ZINC000573077990 518495737 /nfs/dbraw/zinc/49/57/37/518495737.db2.gz VVOWIWYZRGIHRR-UHFFFAOYSA-N -1 3 362.143 2.881 20 5 FFBDHM Cc1ccccc1CN1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000586119871 518621093 /nfs/dbraw/zinc/62/10/93/518621093.db2.gz KGFFOQSTDJKZFA-UHFFFAOYSA-N -1 3 369.421 2.957 20 5 FFBDHM O=C([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000573588849 518740569 /nfs/dbraw/zinc/74/05/69/518740569.db2.gz PYPBFCANXMLEAF-UHFFFAOYSA-N -1 3 364.774 2.666 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc2nn[n-]c21 ZINC000565575304 519025339 /nfs/dbraw/zinc/02/53/39/519025339.db2.gz QPCZVDCEFLVXIS-UHFFFAOYSA-N -1 3 365.271 2.815 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc2[n-]nnc21 ZINC000565575304 519025343 /nfs/dbraw/zinc/02/53/43/519025343.db2.gz QPCZVDCEFLVXIS-UHFFFAOYSA-N -1 3 365.271 2.815 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc2n[n-]nc21 ZINC000565575304 519025353 /nfs/dbraw/zinc/02/53/53/519025353.db2.gz QPCZVDCEFLVXIS-UHFFFAOYSA-N -1 3 365.271 2.815 20 5 FFBDHM COc1cc(CN2CC[C@H](C)C[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000580201957 519057701 /nfs/dbraw/zinc/05/77/01/519057701.db2.gz LIHRIFJGMQWCKG-CABZTGNLSA-N -1 3 374.340 2.890 20 5 FFBDHM O=C([O-])[C@@H](CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000577521672 519122799 /nfs/dbraw/zinc/12/27/99/519122799.db2.gz MFJGMXYAAYUMQW-IBGZPJMESA-N -1 3 369.421 2.975 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](CC(C)C)CN2CCCC2)n1 ZINC000568887994 519269039 /nfs/dbraw/zinc/26/90/39/519269039.db2.gz UDJOAHLSSZTQFB-ZDUSSCGKSA-N -1 3 350.419 2.919 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)c(F)cc1[N+](=O)[O-] ZINC000590591180 519277734 /nfs/dbraw/zinc/27/77/34/519277734.db2.gz PGNCRIOKVKASDD-GFCCVEGCSA-N -1 3 369.418 2.680 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000577844857 519286409 /nfs/dbraw/zinc/28/64/09/519286409.db2.gz FKOHOPIZFNDDFP-LSDHHAIUSA-N -1 3 362.407 2.746 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)c(Cl)c1 ZINC000594483197 519992980 /nfs/dbraw/zinc/99/29/80/519992980.db2.gz CVLWAUGWVTYTPD-KBPBESRZSA-N -1 3 373.862 2.543 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)c1C ZINC000594484042 519993133 /nfs/dbraw/zinc/99/31/33/519993133.db2.gz QERPHDQMDQERJK-HUUCEWRRSA-N -1 3 367.471 2.507 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594491085 519999823 /nfs/dbraw/zinc/99/98/23/519999823.db2.gz MVYZZVNHJHTWTG-NSHDSACASA-N -1 3 360.457 2.735 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000594491082 520000000 /nfs/dbraw/zinc/00/00/00/520000000.db2.gz MVYZZVNHJHTWTG-LLVKDONJSA-N -1 3 360.457 2.735 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000594763828 520141713 /nfs/dbraw/zinc/14/17/13/520141713.db2.gz CACLZKQWWYUGOW-SECBINFHSA-N -1 3 357.338 2.609 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000594785757 520158445 /nfs/dbraw/zinc/15/84/45/520158445.db2.gz UHDXQOWJEPTNMH-JSGCOSHPSA-N -1 3 361.423 2.858 20 5 FFBDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609019392 520178096 /nfs/dbraw/zinc/17/80/96/520178096.db2.gz SUBGYMAEICEVQE-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594849341 520187248 /nfs/dbraw/zinc/18/72/48/520187248.db2.gz OKEXVIOEQLLJQG-UHFFFAOYSA-N -1 3 350.824 2.732 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)c1 ZINC000609201777 520229882 /nfs/dbraw/zinc/22/98/82/520229882.db2.gz XPWGHHVSUDBHOM-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000595279980 520383225 /nfs/dbraw/zinc/38/32/25/520383225.db2.gz PFBJVMMOZYGSOM-SFHVURJKSA-N -1 3 374.393 2.912 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000595279680 520383478 /nfs/dbraw/zinc/38/34/78/520383478.db2.gz WAJXRCCKNNKGMU-SJORKVTESA-N -1 3 356.378 2.904 20 5 FFBDHM COc1ccc(OCCN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)c([N+](=O)[O-])c1 ZINC000600673549 520390386 /nfs/dbraw/zinc/39/03/86/520390386.db2.gz FIZCZTVLFWQXJT-VXGBXAGGSA-N -1 3 352.387 2.556 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000603958629 520415996 /nfs/dbraw/zinc/41/59/96/520415996.db2.gz DMSMIPHHPWMGAQ-GXFFZTMASA-N -1 3 366.395 2.798 20 5 FFBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000604521584 520588824 /nfs/dbraw/zinc/58/88/24/520588824.db2.gz DANSEOGZQZWMLL-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598609660 520740763 /nfs/dbraw/zinc/74/07/63/520740763.db2.gz CKAIGNJSPYXEAM-UHFFFAOYSA-N -1 3 367.427 2.939 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598610415 520741795 /nfs/dbraw/zinc/74/17/95/520741795.db2.gz BFMBNNFAOYMYNX-GFCCVEGCSA-N -1 3 352.334 2.831 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])s1 ZINC000601410788 520778085 /nfs/dbraw/zinc/77/80/85/520778085.db2.gz RWYVDUIRPDPGSJ-GFCCVEGCSA-N -1 3 360.457 2.592 20 5 FFBDHM COc1cc(CN2[C@@H](C)CC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000593290441 520886813 /nfs/dbraw/zinc/88/68/13/520886813.db2.gz JASIFKRYTAGLKU-WPRPVWTQSA-N -1 3 360.313 2.642 20 5 FFBDHM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000611108728 520988403 /nfs/dbraw/zinc/98/84/03/520988403.db2.gz IXARIGWVHOLLDL-UHFFFAOYSA-N -1 3 369.830 2.944 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)nc1 ZINC000593532019 521054257 /nfs/dbraw/zinc/05/42/57/521054257.db2.gz RNSCJAQRTFDACB-UHFFFAOYSA-N -1 3 361.423 2.995 20 5 FFBDHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593741313 521185502 /nfs/dbraw/zinc/18/55/02/521185502.db2.gz LHRHQENVVZBDNB-VHRNVKJDSA-N -1 3 370.409 2.937 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000611619232 521251896 /nfs/dbraw/zinc/25/18/96/521251896.db2.gz UKDJBHPGDVCFEQ-MRVPVSSYSA-N -1 3 359.766 2.822 20 5 FFBDHM CCCc1ccc(-c2cc(=NC(=O)c3cc([N+](=O)[O-])nn3C)[nH][n-]2)cc1 ZINC000482900290 561262553 /nfs/dbraw/zinc/26/25/53/561262553.db2.gz FSDRMQNQEDHLGU-UHFFFAOYSA-N -1 3 354.370 2.923 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CCCO)c1ccccc1 ZINC000738358721 598978430 /nfs/dbraw/zinc/97/84/30/598978430.db2.gz OGTKQDCTWXYSFA-CQSZACIVSA-N -1 3 354.370 2.701 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CCCO)c1ccccc1 ZINC000738358721 598978432 /nfs/dbraw/zinc/97/84/32/598978432.db2.gz OGTKQDCTWXYSFA-CQSZACIVSA-N -1 3 354.370 2.701 20 5 FFBDHM COc1ccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821839367 599076006 /nfs/dbraw/zinc/07/60/06/599076006.db2.gz URDFDMXVCYLFBM-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821839367 599076009 /nfs/dbraw/zinc/07/60/09/599076009.db2.gz URDFDMXVCYLFBM-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM Cc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822109670 607270982 /nfs/dbraw/zinc/27/09/82/607270982.db2.gz TZBFKMZRZVPPCV-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822109670 607270983 /nfs/dbraw/zinc/27/09/83/607270983.db2.gz TZBFKMZRZVPPCV-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736828079 599269214 /nfs/dbraw/zinc/26/92/14/599269214.db2.gz HDDFKJGKKVNGCL-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736828079 599269215 /nfs/dbraw/zinc/26/92/15/599269215.db2.gz HDDFKJGKKVNGCL-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820218882 607331770 /nfs/dbraw/zinc/33/17/70/607331770.db2.gz AYXUORXIPIUZER-APPDUMDISA-N -1 3 366.381 2.603 20 5 FFBDHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820218882 607331771 /nfs/dbraw/zinc/33/17/71/607331771.db2.gz AYXUORXIPIUZER-APPDUMDISA-N -1 3 366.381 2.603 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737282636 598332631 /nfs/dbraw/zinc/33/26/31/598332631.db2.gz IJAYETBJMLPEMN-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737282636 598332633 /nfs/dbraw/zinc/33/26/33/598332633.db2.gz IJAYETBJMLPEMN-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736297967 598601956 /nfs/dbraw/zinc/60/19/56/598601956.db2.gz OFAVTAAUZBBKFZ-JTQLQIEISA-N -1 3 354.345 2.865 20 5 FFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736297967 598601958 /nfs/dbraw/zinc/60/19/58/598601958.db2.gz OFAVTAAUZBBKFZ-JTQLQIEISA-N -1 3 354.345 2.865 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000738370147 598630962 /nfs/dbraw/zinc/63/09/62/598630962.db2.gz QOTWTANNTPDNCM-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000738370147 598630964 /nfs/dbraw/zinc/63/09/64/598630964.db2.gz QOTWTANNTPDNCM-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM Cc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737316811 598702905 /nfs/dbraw/zinc/70/29/05/598702905.db2.gz GKHKCSGMPDHQKQ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737316811 598702906 /nfs/dbraw/zinc/70/29/06/598702906.db2.gz GKHKCSGMPDHQKQ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000738369598 598792508 /nfs/dbraw/zinc/79/25/08/598792508.db2.gz JRXKTYTUEZUBDP-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000738369598 598792511 /nfs/dbraw/zinc/79/25/11/598792511.db2.gz JRXKTYTUEZUBDP-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM COc1cccc(C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737129965 598795927 /nfs/dbraw/zinc/79/59/27/598795927.db2.gz OLKKWWKNUHHEOQ-LLVKDONJSA-N -1 3 354.370 2.827 20 5 FFBDHM COc1cccc(C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737129965 598795929 /nfs/dbraw/zinc/79/59/29/598795929.db2.gz OLKKWWKNUHHEOQ-LLVKDONJSA-N -1 3 354.370 2.827 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1nc2ccccc2o1 ZINC000823630480 599361673 /nfs/dbraw/zinc/36/16/73/599361673.db2.gz XTMVPAULKLIQEK-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1nc2ccccc2o1 ZINC000823630480 599361676 /nfs/dbraw/zinc/36/16/76/599361676.db2.gz XTMVPAULKLIQEK-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736828855 599404819 /nfs/dbraw/zinc/40/48/19/599404819.db2.gz QTJVECPIFDLVRF-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736828855 599404820 /nfs/dbraw/zinc/40/48/20/599404820.db2.gz QTJVECPIFDLVRF-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM CCOC(=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736600334 599535956 /nfs/dbraw/zinc/53/59/56/599535956.db2.gz VBWXGEYTXQQMNQ-UHFFFAOYSA-N -1 3 368.353 2.624 20 5 FFBDHM CCOC(=O)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736600334 599535959 /nfs/dbraw/zinc/53/59/59/599535959.db2.gz VBWXGEYTXQQMNQ-UHFFFAOYSA-N -1 3 368.353 2.624 20 5 FFBDHM COc1ccccc1[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737146638 599537463 /nfs/dbraw/zinc/53/74/63/599537463.db2.gz INECQXPPPSEHRP-CYBMUJFWSA-N -1 3 366.381 2.777 20 5 FFBDHM COc1ccccc1[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737146638 599537466 /nfs/dbraw/zinc/53/74/66/599537466.db2.gz INECQXPPPSEHRP-CYBMUJFWSA-N -1 3 366.381 2.777 20 5 FFBDHM C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820390768 599635065 /nfs/dbraw/zinc/63/50/65/599635065.db2.gz JQXSTRFTECHQOX-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820390768 599635066 /nfs/dbraw/zinc/63/50/66/599635066.db2.gz JQXSTRFTECHQOX-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000833418961 604955149 /nfs/dbraw/zinc/95/51/49/604955149.db2.gz DACJTCSJMUMQDH-CQSZACIVSA-N -1 3 364.398 2.784 20 5 FFBDHM Cc1nn(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000833921237 605321150 /nfs/dbraw/zinc/32/11/50/605321150.db2.gz RPTUEJMNBFEGLD-RCBQFDQVSA-N -1 3 373.413 2.579 20 5 FFBDHM Cc1nn(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000833921575 605325117 /nfs/dbraw/zinc/32/51/17/605325117.db2.gz UVCOSKADJMAKOX-MAZHCROVSA-N -1 3 373.413 2.579 20 5 FFBDHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000833585202 605350019 /nfs/dbraw/zinc/35/00/19/605350019.db2.gz QTQFISORFKRRLM-INIZCTEOSA-N -1 3 362.382 2.586 20 5 FFBDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834103432 606031529 /nfs/dbraw/zinc/03/15/29/606031529.db2.gz BFNHPNKKTRUKGS-BBWFWOEESA-N -1 3 363.414 2.625 20 5 FFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000820280287 606137934 /nfs/dbraw/zinc/13/79/34/606137934.db2.gz CWFGWZRUKLVQBQ-SECBINFHSA-N -1 3 366.341 2.527 20 5 FFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000820280287 606137936 /nfs/dbraw/zinc/13/79/36/606137936.db2.gz CWFGWZRUKLVQBQ-SECBINFHSA-N -1 3 366.341 2.527 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821845956 606353522 /nfs/dbraw/zinc/35/35/22/606353522.db2.gz MQFDIWXMUQIWRA-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821845956 606353524 /nfs/dbraw/zinc/35/35/24/606353524.db2.gz MQFDIWXMUQIWRA-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCc1ccccc1[N+](=O)[O-] ZINC000822936218 606824687 /nfs/dbraw/zinc/82/46/87/606824687.db2.gz SVZHFOPBMZCLIP-KTKRTIGZSA-N -1 3 365.349 2.574 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCc1ccccc1[N+](=O)[O-] ZINC000822936218 606824688 /nfs/dbraw/zinc/82/46/88/606824688.db2.gz SVZHFOPBMZCLIP-KTKRTIGZSA-N -1 3 365.349 2.574 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820235320 607041237 /nfs/dbraw/zinc/04/12/37/607041237.db2.gz RSGQXIXLDXXANL-QLJPJBMISA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820235320 607041238 /nfs/dbraw/zinc/04/12/38/607041238.db2.gz RSGQXIXLDXXANL-QLJPJBMISA-N -1 3 372.360 2.838 20 5 FFBDHM Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822227842 607074269 /nfs/dbraw/zinc/07/42/69/607074269.db2.gz XVORIVDJSVESHT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822227842 607074271 /nfs/dbraw/zinc/07/42/71/607074271.db2.gz XVORIVDJSVESHT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823082615 607189453 /nfs/dbraw/zinc/18/94/53/607189453.db2.gz MESAOHUCBJDRIU-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823082615 607189454 /nfs/dbraw/zinc/18/94/54/607189454.db2.gz MESAOHUCBJDRIU-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826304412 608008834 /nfs/dbraw/zinc/00/88/34/608008834.db2.gz KGNDTTHBTOHZAJ-KTKRTIGZSA-N -1 3 351.322 2.702 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826304412 608008835 /nfs/dbraw/zinc/00/88/35/608008835.db2.gz KGNDTTHBTOHZAJ-KTKRTIGZSA-N -1 3 351.322 2.702 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc[nH]1 ZINC000824648599 608016852 /nfs/dbraw/zinc/01/68/52/608016852.db2.gz HDGQUFOYTWZXEG-SECBINFHSA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc[nH]1 ZINC000824648599 608016853 /nfs/dbraw/zinc/01/68/53/608016853.db2.gz HDGQUFOYTWZXEG-SECBINFHSA-N -1 3 350.342 2.824 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826278510 608106813 /nfs/dbraw/zinc/10/68/13/608106813.db2.gz GSQLBCRHGNCPOS-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000826278510 608106814 /nfs/dbraw/zinc/10/68/14/608106814.db2.gz GSQLBCRHGNCPOS-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM O=[N+]([O-])c1cnccc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826501029 608296387 /nfs/dbraw/zinc/29/63/87/608296387.db2.gz WJIMOKUGDAIGNH-UHFFFAOYSA-N -1 3 373.376 2.871 20 5 FFBDHM O=[N+]([O-])c1cnccc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826501029 608296389 /nfs/dbraw/zinc/29/63/89/608296389.db2.gz WJIMOKUGDAIGNH-UHFFFAOYSA-N -1 3 373.376 2.871 20 5 FFBDHM CCc1cccnc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825728605 608311136 /nfs/dbraw/zinc/31/11/36/608311136.db2.gz RWARYJVANHVWCY-UHFFFAOYSA-N -1 3 373.760 2.638 20 5 FFBDHM CCc1cccnc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825728605 608311138 /nfs/dbraw/zinc/31/11/38/608311138.db2.gz RWARYJVANHVWCY-UHFFFAOYSA-N -1 3 373.760 2.638 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(F)cc3-c3nnn[n-]3)c2)c1 ZINC000826499734 608381481 /nfs/dbraw/zinc/38/14/81/608381481.db2.gz VAIGXNPEMRSUSJ-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(F)cc3-c3nn[n-]n3)c2)c1 ZINC000826499734 608381483 /nfs/dbraw/zinc/38/14/83/608381483.db2.gz VAIGXNPEMRSUSJ-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM Cc1ccnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1[N+](=O)[O-] ZINC000826310413 608442075 /nfs/dbraw/zinc/44/20/75/608442075.db2.gz VBHAABCVEZMAGA-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1ccnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1[N+](=O)[O-] ZINC000826310413 608442076 /nfs/dbraw/zinc/44/20/76/608442076.db2.gz VBHAABCVEZMAGA-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM CCc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000825704680 608449399 /nfs/dbraw/zinc/44/93/99/608449399.db2.gz MWAQARYPVSGQHJ-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM CCc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000825704680 608449401 /nfs/dbraw/zinc/44/94/01/608449401.db2.gz MWAQARYPVSGQHJ-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826170119 608564145 /nfs/dbraw/zinc/56/41/45/608564145.db2.gz OTVXFCYIMORAIC-NSHDSACASA-N -1 3 354.370 2.634 20 5 FFBDHM O=[N+]([O-])c1sccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826500996 609166863 /nfs/dbraw/zinc/16/68/63/609166863.db2.gz VATZMWDHTVITRV-UHFFFAOYSA-N -1 3 368.382 2.839 20 5 FFBDHM O=[N+]([O-])c1sccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826500996 609166865 /nfs/dbraw/zinc/16/68/65/609166865.db2.gz VATZMWDHTVITRV-UHFFFAOYSA-N -1 3 368.382 2.839 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000826176437 609437721 /nfs/dbraw/zinc/43/77/21/609437721.db2.gz PMFQIPPTHQSNCW-UHFFFAOYSA-N -1 3 365.309 2.519 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000826176437 609437723 /nfs/dbraw/zinc/43/77/23/609437723.db2.gz PMFQIPPTHQSNCW-UHFFFAOYSA-N -1 3 365.309 2.519 20 5 FFBDHM Cc1cc(C)cc([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000826264448 609603099 /nfs/dbraw/zinc/60/30/99/609603099.db2.gz OTZKJGUHTHKQQX-CYBMUJFWSA-N -1 3 365.397 2.781 20 5 FFBDHM Cc1cc(C)cc([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000826264448 609603102 /nfs/dbraw/zinc/60/31/02/609603102.db2.gz OTZKJGUHTHKQQX-CYBMUJFWSA-N -1 3 365.397 2.781 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000826465721 609617980 /nfs/dbraw/zinc/61/79/80/609617980.db2.gz ZEJXBVLNYDBHRY-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000826465721 609617982 /nfs/dbraw/zinc/61/79/82/609617982.db2.gz ZEJXBVLNYDBHRY-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)n1 ZINC000135243921 728736748 /nfs/dbraw/zinc/73/67/48/728736748.db2.gz HLRSXFQGDZSTBU-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1ccco1 ZINC000779950142 738501228 /nfs/dbraw/zinc/50/12/28/738501228.db2.gz IAIRODNFYCNIES-LBPRGKRZSA-N -1 3 372.374 2.691 20 5 FFBDHM COc1c([O-])ccc(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895468782 735011245 /nfs/dbraw/zinc/01/12/45/735011245.db2.gz MYRWZCDKVKIDNR-MWLCHTKSSA-N -1 3 364.320 2.851 20 5 FFBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000764221229 737003054 /nfs/dbraw/zinc/00/30/54/737003054.db2.gz MIAOQTJDSUPIJR-SSDOTTSWSA-N -1 3 361.745 2.716 20 5 FFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc2c(cc1[O-])OCO2 ZINC000917069541 737739428 /nfs/dbraw/zinc/73/94/28/737739428.db2.gz SOPUVHICVDRVRC-UHFFFAOYSA-N -1 3 364.741 2.955 20 5 FFBDHM O=C1OCc2c1cccc2S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832524 741565107 /nfs/dbraw/zinc/56/51/07/741565107.db2.gz SNTHRYGRPLWGDT-UHFFFAOYSA-N -1 3 368.754 2.719 20 5 FFBDHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000813235279 741694428 /nfs/dbraw/zinc/69/44/28/741694428.db2.gz DFMWTDJRWAYGLV-UHFFFAOYSA-N -1 3 365.321 2.982 20 5 FFBDHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000841547472 747392764 /nfs/dbraw/zinc/39/27/64/747392764.db2.gz DRVPVLCLVYQARE-GXSJLCMTSA-N -1 3 363.233 2.680 20 5 FFBDHM CCc1cnc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)s1 ZINC000848588166 748967458 /nfs/dbraw/zinc/96/74/58/748967458.db2.gz PNMLCOLOWDDBBF-UHFFFAOYSA-N -1 3 357.338 2.902 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000849463585 749167522 /nfs/dbraw/zinc/16/75/22/749167522.db2.gz JDZWJKRQJGGTDV-NSHDSACASA-N -1 3 363.233 2.824 20 5 FFBDHM O=c1[n-]ccc(N2CCC(Oc3ccc(Cl)cn3)CC2)c1[N+](=O)[O-] ZINC000853684771 750135858 /nfs/dbraw/zinc/13/58/58/750135858.db2.gz IRWGPDKQRKWQHT-UHFFFAOYSA-N -1 3 350.762 2.792 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000738368007 945263153 /nfs/dbraw/zinc/26/31/53/945263153.db2.gz YHDDGNDZCHYXCE-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000738368007 945263160 /nfs/dbraw/zinc/26/31/60/945263160.db2.gz YHDDGNDZCHYXCE-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM Cc1ccc([C@H](C)N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000255726977 968713065 /nfs/dbraw/zinc/71/30/65/968713065.db2.gz RTLNFGROLZQDKT-KPENOIPVSA-N -1 3 351.362 2.865 20 5 FFBDHM C[C@@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000910454166 981950869 /nfs/dbraw/zinc/95/08/69/981950869.db2.gz FFDURFZNQFJWLU-CYBMUJFWSA-N -1 3 365.430 2.757 20 5 FFBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000910454167 981951004 /nfs/dbraw/zinc/95/10/04/981951004.db2.gz FFDURFZNQFJWLU-ZDUSSCGKSA-N -1 3 365.430 2.757 20 5 FFBDHM CCO[C@@H]1C[C@@](NCc2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596839539 985519331 /nfs/dbraw/zinc/51/93/31/985519331.db2.gz UETRSROYPCURLZ-CZUORRHYSA-N -1 3 356.806 2.996 20 5 FFBDHM COC(=O)c1[n-]cnc1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001128846943 989937739 /nfs/dbraw/zinc/93/77/39/989937739.db2.gz GUCPCBLUYPMBLK-UHFFFAOYSA-N -1 3 359.125 2.664 20 5 FFBDHM COC(=O)c1nc[n-]c1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001128846943 989937744 /nfs/dbraw/zinc/93/77/44/989937744.db2.gz GUCPCBLUYPMBLK-UHFFFAOYSA-N -1 3 359.125 2.664 20 5 FFBDHM CN(CCc1ccc2c(c1)OCO2)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598500264 992425235 /nfs/dbraw/zinc/42/52/35/992425235.db2.gz OSPSWMKSAJDJRJ-UHFFFAOYSA-N -1 3 358.350 2.696 20 5 FFBDHM COc1c([O-])ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001599345134 997991021 /nfs/dbraw/zinc/99/10/21/997991021.db2.gz REZHZSCNPNQHEP-LSDHHAIUSA-N -1 3 372.377 2.609 20 5 FFBDHM COc1c([O-])ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001599345134 997991028 /nfs/dbraw/zinc/99/10/28/997991028.db2.gz REZHZSCNPNQHEP-LSDHHAIUSA-N -1 3 372.377 2.609 20 5 FFBDHM COC(=O)Nc1ccc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc1[O-] ZINC000745654272 999924331 /nfs/dbraw/zinc/92/43/31/999924331.db2.gz VSBJKRGSKNIKFP-UHFFFAOYSA-N -1 3 364.285 2.975 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1c2ccccc2OC[C@@H]1F ZINC001194681391 1004792131 /nfs/dbraw/zinc/79/21/31/1004792131.db2.gz MHKGRJUWXJGXLQ-WFASDCNBSA-N -1 3 366.370 2.653 20 5 FFBDHM COC(=O)c1ccc(Br)c(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199819509 1005025417 /nfs/dbraw/zinc/02/54/17/1005025417.db2.gz VMZDPBOBRVAHNJ-UHFFFAOYSA-N -1 3 368.143 2.988 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3nnc(C4CCOCC4)n3c2)c1 ZINC001199828305 1005043888 /nfs/dbraw/zinc/04/38/88/1005043888.db2.gz GAIZEDZHRSFPIR-UHFFFAOYSA-N -1 3 355.354 2.981 20 5 FFBDHM NC(=O)C1CCN(c2ccccc2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001201223779 1005187011 /nfs/dbraw/zinc/18/70/11/1005187011.db2.gz FYXHYPHYZCTIOQ-UHFFFAOYSA-N -1 3 356.382 2.746 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC001273543139 1006146950 /nfs/dbraw/zinc/14/69/50/1006146950.db2.gz HGVYUFDUDRIART-UHFFFAOYSA-N -1 3 359.216 2.641 20 5 FFBDHM O=c1cc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)[n-]1 ZINC001189266133 1007000479 /nfs/dbraw/zinc/00/04/79/1007000479.db2.gz ILRJKSXMBFGCDV-UHFFFAOYSA-N -1 3 371.374 2.731 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(CN2CCOCC2)o1 ZINC000890429109 1010406726 /nfs/dbraw/zinc/40/67/26/1010406726.db2.gz NDAWXKLXIHEGSL-UHFFFAOYSA-N -1 3 363.345 2.720 20 5 FFBDHM O=C1[N-]C(=O)C(=CNCCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000777868539 1019833974 /nfs/dbraw/zinc/83/39/74/1019833974.db2.gz ADMAQKKZAVOKDI-GDNBJRDFSA-N -1 3 371.780 2.691 20 5 FFBDHM O=C([N-]C[C@H](O)c1c(F)cccc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778348222 1021748148 /nfs/dbraw/zinc/74/81/48/1021748148.db2.gz RDYZPLBYVGRKOE-ZDUSSCGKSA-N -1 3 372.274 2.815 20 5 FFBDHM C[C@@H]1CC[C@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C[NH2+]1 ZINC001218408454 1033141587 /nfs/dbraw/zinc/14/15/87/1033141587.db2.gz QUZDWHNZMIWERS-KOLCDFICSA-N -1 3 357.362 2.582 20 5 FFBDHM CCn1c(C)cc2n[n-]c(NC(=O)c3c(C)c(C)ccc3[N+](=O)[O-])c2c1=O ZINC001161527255 1028215180 /nfs/dbraw/zinc/21/51/80/1028215180.db2.gz NELARXXZAUNXCJ-UHFFFAOYSA-N -1 3 369.381 2.830 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC001164130725 1029180916 /nfs/dbraw/zinc/18/09/16/1029180916.db2.gz BGKNXBCGUXVONZ-JTQLQIEISA-N -1 3 365.340 2.758 20 5 FFBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001157232394 1029514409 /nfs/dbraw/zinc/51/44/09/1029514409.db2.gz DOESQPXHORZHFY-YFKPBYRVSA-N -1 3 363.683 2.876 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c([O-])c(OC)c1 ZINC001158246448 1029771090 /nfs/dbraw/zinc/77/10/90/1029771090.db2.gz RJWSGCGCXZMSHE-UHFFFAOYSA-N -1 3 374.349 2.965 20 5 FFBDHM O=C([N-]c1ncn(Cc2cccnc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC001115923996 1032016619 /nfs/dbraw/zinc/01/66/19/1032016619.db2.gz NCKLCGBFRGIHKM-UHFFFAOYSA-N -1 3 358.745 2.535 20 5 FFBDHM CC1(C)CN(Cc2ccccc2)C[C@H](COc2nccc([O-])c2[N+](=O)[O-])O1 ZINC001225664952 1034359186 /nfs/dbraw/zinc/35/91/86/1034359186.db2.gz VDZAFRANQNDLFR-OAHLLOKOSA-N -1 3 373.409 2.754 20 5 FFBDHM CC1(C)CN(Cc2ccccc2)C[C@H](COc2[n-]ccc(=O)c2[N+](=O)[O-])O1 ZINC001225664952 1034359211 /nfs/dbraw/zinc/35/92/11/1034359211.db2.gz VDZAFRANQNDLFR-OAHLLOKOSA-N -1 3 373.409 2.754 20 5 FFBDHM CC(=O)c1cnc(=O)[n-]c1O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001226236845 1034584494 /nfs/dbraw/zinc/58/44/94/1034584494.db2.gz DUXUKJBFRQVZCX-LLVKDONJSA-N -1 3 357.244 2.975 20 5 FFBDHM CCOC(=O)[C@H](C)Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C ZINC001234170354 1036954613 /nfs/dbraw/zinc/95/46/13/1036954613.db2.gz HFCJNPLRKVVGHT-NSHDSACASA-N -1 3 371.389 2.736 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)nc1 ZINC001208036997 1037963604 /nfs/dbraw/zinc/96/36/04/1037963604.db2.gz AALFQTCQHGVTFV-GFCCVEGCSA-N -1 3 351.409 2.505 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)nc1 ZINC001208064576 1037988585 /nfs/dbraw/zinc/98/85/85/1037988585.db2.gz BKMIZUXGSDDAEC-MRXNPFEDSA-N -1 3 359.363 2.651 20 5 FFBDHM COc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC001211388622 1040134877 /nfs/dbraw/zinc/13/48/77/1040134877.db2.gz OWFGGMHZJFZRCK-OAHLLOKOSA-N -1 3 362.407 2.959 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2OCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001214048867 1041190612 /nfs/dbraw/zinc/19/06/12/1041190612.db2.gz QUCJVDJUUJHSTK-OAHLLOKOSA-N -1 3 366.370 2.592 20 5 FFBDHM CCOC(=O)c1noc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC001538346478 1070414780 /nfs/dbraw/zinc/41/47/80/1070414780.db2.gz WSVNICAEJYWMFF-UHFFFAOYSA-N -1 3 353.718 2.974 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)[C@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001309782897 1043524353 /nfs/dbraw/zinc/52/43/53/1043524353.db2.gz LEAUJOOYYUZCNZ-CQSZACIVSA-N -1 3 360.407 2.668 20 5 FFBDHM Cc1ccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001310096614 1043635963 /nfs/dbraw/zinc/63/59/63/1043635963.db2.gz JOUDDZZHCUFFGF-SSDOTTSWSA-N -1 3 358.280 2.923 20 5 FFBDHM Cc1c([N-]C(=O)c2nnn(C(C)(C)C)n2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001539125331 1070563560 /nfs/dbraw/zinc/56/35/60/1070563560.db2.gz IDVYWCAFPYXBLQ-UHFFFAOYSA-N -1 3 372.307 2.916 20 5 FFBDHM COc1ccccc1C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC001318557437 1044747700 /nfs/dbraw/zinc/74/77/00/1044747700.db2.gz LKRYYQZHRFFNGT-UHFFFAOYSA-N -1 3 362.407 2.961 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(NCc2c(F)cccc2[N-]S(C)(=O)=O)c1 ZINC001340222451 1050629989 /nfs/dbraw/zinc/62/99/89/1050629989.db2.gz PMPVAASUSWFINQ-UHFFFAOYSA-N -1 3 369.374 2.726 20 5 FFBDHM O=C([N-]Cc1cc([N+](=O)[O-])c(F)cc1F)C(F)(F)C1(O)CCCCC1 ZINC001299932934 1050640273 /nfs/dbraw/zinc/64/02/73/1050640273.db2.gz BDKGJSBCSYEDDP-UHFFFAOYSA-N -1 3 364.295 2.820 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2ccc(F)c(Br)c2F)c1[N+](=O)[O-] ZINC001301346680 1050876202 /nfs/dbraw/zinc/87/62/02/1050876202.db2.gz FLFTUSOOUXZFDY-UHFFFAOYSA-N -1 3 361.102 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CSC2)c(C(F)(F)F)c1 ZINC001475800505 1061285176 /nfs/dbraw/zinc/28/51/76/1061285176.db2.gz AZPBEQVDEAOIBV-UHFFFAOYSA-N -1 3 370.374 2.645 20 5 FFBDHM COC(=O)[C@H](CC1CCCCC1)NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001462088258 1061501981 /nfs/dbraw/zinc/50/19/81/1061501981.db2.gz FVOHRWDWICPVMZ-AWEZNQCLSA-N -1 3 366.414 2.911 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001435983429 1062608747 /nfs/dbraw/zinc/60/87/47/1062608747.db2.gz OIYRSEYLSYKSNQ-UHFFFAOYSA-N -1 3 359.220 2.508 20 5 FFBDHM O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCCc2c(=O)[n-]cnc21 ZINC001438691573 1063037918 /nfs/dbraw/zinc/03/79/18/1063037918.db2.gz YRPMKLJGUXLNSC-UHFFFAOYSA-N -1 3 368.271 2.702 20 5 FFBDHM CSc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC001525059064 1063122853 /nfs/dbraw/zinc/12/28/53/1063122853.db2.gz BLFPXBSAHAIIPQ-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CSc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC001525059064 1063122874 /nfs/dbraw/zinc/12/28/74/1063122874.db2.gz BLFPXBSAHAIIPQ-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CC(C)(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001525060660 1063125014 /nfs/dbraw/zinc/12/50/14/1063125014.db2.gz ZKLDOUSKPWPEPI-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC(C)(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1[N+](=O)[O-] ZINC001525060660 1063125021 /nfs/dbraw/zinc/12/50/21/1063125021.db2.gz ZKLDOUSKPWPEPI-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469715161 1064199463 /nfs/dbraw/zinc/19/94/63/1064199463.db2.gz MYUSWOCTEONDOO-KBPBESRZSA-N -1 3 358.398 2.608 20 5 FFBDHM CCCOc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001577692138 1078388835 /nfs/dbraw/zinc/38/88/35/1078388835.db2.gz JQMJXSAAAMSKSR-UHFFFAOYSA-N -1 3 355.358 2.890 20 5 FFBDHM CCCOc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001577692138 1078388839 /nfs/dbraw/zinc/38/88/39/1078388839.db2.gz JQMJXSAAAMSKSR-UHFFFAOYSA-N -1 3 355.358 2.890 20 5 FFBDHM COCc1ccccc1CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001579834754 1078695275 /nfs/dbraw/zinc/69/52/75/1078695275.db2.gz OVWPEIJZMTUXJX-UHFFFAOYSA-N -1 3 354.370 2.842 20 5 FFBDHM COCc1ccccc1CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001579834754 1078695277 /nfs/dbraw/zinc/69/52/77/1078695277.db2.gz OVWPEIJZMTUXJX-UHFFFAOYSA-N -1 3 354.370 2.842 20 5 FFBDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccccc1[N+](=O)[O-] ZINC001580310587 1078785270 /nfs/dbraw/zinc/78/52/70/1078785270.db2.gz AFVAKPJGBOUSIL-MRVPVSSYSA-N -1 3 374.744 2.741 20 5 FFBDHM Cc1ccc2c(c1)CN(c1cc(F)c(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC001581214649 1078941372 /nfs/dbraw/zinc/94/13/72/1078941372.db2.gz JJMWNQMLZATAPD-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1ccc2c(c1)CN(c1cc(F)c(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC001581214649 1078941376 /nfs/dbraw/zinc/94/13/76/1078941376.db2.gz JJMWNQMLZATAPD-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1ccccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001581258531 1078948125 /nfs/dbraw/zinc/94/81/25/1078948125.db2.gz PJNPWAOUCONBJU-LLVKDONJSA-N -1 3 353.386 2.709 20 5 FFBDHM Cc1ccccc1C[C@@H](C)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001581258531 1078948130 /nfs/dbraw/zinc/94/81/30/1078948130.db2.gz PJNPWAOUCONBJU-LLVKDONJSA-N -1 3 353.386 2.709 20 5 FFBDHM O=[N+]([O-])c1ccc2c(c1)N(Cc1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC001582804720 1079110012 /nfs/dbraw/zinc/11/00/12/1079110012.db2.gz ZUDUTMLGKBDDOW-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1ccc2c(c1)N(Cc1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC001582804720 1079110018 /nfs/dbraw/zinc/11/00/18/1079110018.db2.gz ZUDUTMLGKBDDOW-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cnc(C2CC2)[n-]c1=O ZINC001557801496 1075893974 /nfs/dbraw/zinc/89/39/74/1075893974.db2.gz JKUPAMUFTVNRLY-UHFFFAOYSA-N -1 3 366.736 2.690 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC001561439575 1076376975 /nfs/dbraw/zinc/37/69/75/1076376975.db2.gz FZUFJAFXVCXRAE-MRVPVSSYSA-N -1 3 363.317 2.981 20 5 FFBDHM O=C(Nc1ncccc1OCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001570219245 1077191788 /nfs/dbraw/zinc/19/17/88/1077191788.db2.gz WFLPSDSEHGVMHS-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM CC(C)(C)OC(=O)C1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001573850877 1077820316 /nfs/dbraw/zinc/82/03/16/1077820316.db2.gz NMTWJRIZCZEYIK-UHFFFAOYSA-N -1 3 374.401 2.699 20 5 FFBDHM CC(C)(C)OC(=O)C1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001573850877 1077820319 /nfs/dbraw/zinc/82/03/19/1077820319.db2.gz NMTWJRIZCZEYIK-UHFFFAOYSA-N -1 3 374.401 2.699 20 5 FFBDHM C=Cc1ccc(CCNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001588734035 1080176628 /nfs/dbraw/zinc/17/66/28/1080176628.db2.gz PSCWQUIXXLNFAO-UHFFFAOYSA-N -1 3 351.370 2.655 20 5 FFBDHM C=Cc1ccc(CCNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001588734035 1080176630 /nfs/dbraw/zinc/17/66/30/1080176630.db2.gz PSCWQUIXXLNFAO-UHFFFAOYSA-N -1 3 351.370 2.655 20 5 FFBDHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001589064982 1080336345 /nfs/dbraw/zinc/33/63/45/1080336345.db2.gz XKNRVDPTQFMZGI-UHFFFAOYSA-N -1 3 371.328 2.797 20 5 FFBDHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC001589064982 1080336348 /nfs/dbraw/zinc/33/63/48/1080336348.db2.gz XKNRVDPTQFMZGI-UHFFFAOYSA-N -1 3 371.328 2.797 20 5 FFBDHM CC(C)(C)OCc1cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])no1 ZINC001589198724 1080413401 /nfs/dbraw/zinc/41/34/01/1080413401.db2.gz LLAUWXNBBJPWCE-UHFFFAOYSA-N -1 3 373.373 2.690 20 5 FFBDHM CC(C)(C)OCc1cc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])no1 ZINC001589198724 1080413410 /nfs/dbraw/zinc/41/34/10/1080413410.db2.gz LLAUWXNBBJPWCE-UHFFFAOYSA-N -1 3 373.373 2.690 20 5 FFBDHM CC(C)(C)c1ccc(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)o1 ZINC001589227177 1080432178 /nfs/dbraw/zinc/43/21/78/1080432178.db2.gz OBZOMYSHVKUASP-UHFFFAOYSA-N -1 3 357.374 2.860 20 5 FFBDHM CC(C)(C)c1ccc(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)o1 ZINC001589227177 1080432183 /nfs/dbraw/zinc/43/21/83/1080432183.db2.gz OBZOMYSHVKUASP-UHFFFAOYSA-N -1 3 357.374 2.860 20 5 FFBDHM CC(C)(CC(F)(F)F)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589269866 1080455536 /nfs/dbraw/zinc/45/55/36/1080455536.db2.gz KHRFYIOWXTVVFE-UHFFFAOYSA-N -1 3 373.291 2.797 20 5 FFBDHM CC(C)(CC(F)(F)F)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589269866 1080455540 /nfs/dbraw/zinc/45/55/40/1080455540.db2.gz KHRFYIOWXTVVFE-UHFFFAOYSA-N -1 3 373.291 2.797 20 5 FFBDHM C[C@@H](COc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589884732 1080831629 /nfs/dbraw/zinc/83/16/29/1080831629.db2.gz HHIMXVYFSRQNCA-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](COc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589884732 1080831633 /nfs/dbraw/zinc/83/16/33/1080831633.db2.gz HHIMXVYFSRQNCA-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC001589983871 1080921072 /nfs/dbraw/zinc/92/10/72/1080921072.db2.gz HDDAHGCZCDTTOQ-VIFPVBQESA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC001589983871 1080921082 /nfs/dbraw/zinc/92/10/82/1080921082.db2.gz HDDAHGCZCDTTOQ-VIFPVBQESA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001590008402 1080935504 /nfs/dbraw/zinc/93/55/04/1080935504.db2.gz DMMWAEFPAHAFPZ-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001590008402 1080935510 /nfs/dbraw/zinc/93/55/10/1080935510.db2.gz DMMWAEFPAHAFPZ-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM CC1CCC2(CC1)OC[C@H](CNc1ccc(-c3nnn[n-]3)c([N+](=O)[O-])c1)O2 ZINC001590242723 1081116672 /nfs/dbraw/zinc/11/66/72/1081116672.db2.gz WZFZCXCPGYVYQI-XKZABGERSA-N -1 3 374.401 2.509 20 5 FFBDHM O=C(Nc1ccc(N2CCCC2)nc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000032297813 506240467 /nfs/dbraw/zinc/24/04/67/506240467.db2.gz POJVNWJGASWTTQ-UHFFFAOYSA-N -1 3 352.354 2.719 20 5 FFBDHM O=C([N-]Cc1cnc2n1CCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000375302369 512257884 /nfs/dbraw/zinc/25/78/84/512257884.db2.gz KXHBDQYGQAFBQZ-UHFFFAOYSA-N -1 3 350.325 2.536 20 5 FFBDHM CCOc1ccc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000054236346 506521466 /nfs/dbraw/zinc/52/14/66/506521466.db2.gz MQECESDPEGMDEO-UHFFFAOYSA-N -1 3 367.365 2.886 20 5 FFBDHM CN(CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000055297739 506722250 /nfs/dbraw/zinc/72/22/50/506722250.db2.gz UXYIASAHMLJWTI-UHFFFAOYSA-N -1 3 367.402 2.539 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(SC)cc1 ZINC000057022317 507153078 /nfs/dbraw/zinc/15/30/78/507153078.db2.gz MEMCUGVBCRUNEE-UHFFFAOYSA-N -1 3 368.436 2.804 20 5 FFBDHM Cn1c(NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)nc2cc(Cl)ccc21 ZINC000069329371 507467584 /nfs/dbraw/zinc/46/75/84/507467584.db2.gz LCSRIOJOZYVYOF-UHFFFAOYSA-N -1 3 370.756 2.685 20 5 FFBDHM COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000069693025 507534152 /nfs/dbraw/zinc/53/41/52/507534152.db2.gz DMGVNUQBMOOUNV-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(Br)c1 ZINC000048866870 507575582 /nfs/dbraw/zinc/57/55/82/507575582.db2.gz MJSMQEKMVIJGHR-UHFFFAOYSA-N -1 3 371.212 2.836 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000029939796 507796752 /nfs/dbraw/zinc/79/67/52/507796752.db2.gz NHCFALUQHLGIIS-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000108875421 507922915 /nfs/dbraw/zinc/92/29/15/507922915.db2.gz NWWIAZDFKFNUON-ZDUSSCGKSA-N -1 3 362.407 2.748 20 5 FFBDHM CCc1ccc([O-])c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000074825996 508058648 /nfs/dbraw/zinc/05/86/48/508058648.db2.gz CTFFSRKQKGPCOJ-UHFFFAOYSA-N -1 3 353.338 2.696 20 5 FFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000080281931 508061326 /nfs/dbraw/zinc/06/13/26/508061326.db2.gz HQLYGCDMOQVPFT-UHFFFAOYSA-N -1 3 359.404 2.712 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3C)c([N+](=O)[O-])c1 ZINC000104753969 508345296 /nfs/dbraw/zinc/34/52/96/508345296.db2.gz CRAGIAHTVLJPFM-HNNXBMFYSA-N -1 3 362.407 2.878 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c1C ZINC000127703870 508488608 /nfs/dbraw/zinc/48/86/08/508488608.db2.gz NFMMKWZLAHWTQL-ZBFHGGJFSA-N -1 3 370.471 2.821 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000122530985 508549814 /nfs/dbraw/zinc/54/98/14/508549814.db2.gz ZNASEWBOEVRZJH-UHFFFAOYSA-N -1 3 356.444 2.778 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000122792871 508587095 /nfs/dbraw/zinc/58/70/95/508587095.db2.gz RRCQVHWNZZEBPO-UHFFFAOYSA-N -1 3 356.425 2.630 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3C)[n-]c21 ZINC000157805872 508614765 /nfs/dbraw/zinc/61/47/65/508614765.db2.gz IOTLJKVJQFITLV-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3C)nc21 ZINC000157805872 508614767 /nfs/dbraw/zinc/61/47/67/508614767.db2.gz IOTLJKVJQFITLV-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000153781880 508648236 /nfs/dbraw/zinc/64/82/36/508648236.db2.gz ZLDMASVNZHWBBK-CQSZACIVSA-N -1 3 370.814 2.914 20 5 FFBDHM O=C([N-]c1nc(-c2c(F)cccc2F)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000135830969 508652497 /nfs/dbraw/zinc/65/24/97/508652497.db2.gz IVWVBDJXZZUIOT-UHFFFAOYSA-N -1 3 351.294 2.972 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000159638098 508869626 /nfs/dbraw/zinc/86/96/26/508869626.db2.gz LFXAIGDBWZDNJM-SNVBAGLBSA-N -1 3 370.452 2.883 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000124852006 508894440 /nfs/dbraw/zinc/89/44/40/508894440.db2.gz PCTWXAXVRWNEEF-ZETCQYMHSA-N -1 3 374.444 2.685 20 5 FFBDHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000131941243 508983573 /nfs/dbraw/zinc/98/35/73/508983573.db2.gz PFBGKKIWOHKQNV-CQSZACIVSA-N -1 3 362.407 2.878 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000151477606 509025010 /nfs/dbraw/zinc/02/50/10/509025010.db2.gz HAAPUYAZIMYWGG-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM COC(=O)c1ccc(-n2cc(C)cn2)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000161549079 509128121 /nfs/dbraw/zinc/12/81/21/509128121.db2.gz HPJAJVLAJUEZLV-UHFFFAOYSA-N -1 3 370.321 2.721 20 5 FFBDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000185448103 509181741 /nfs/dbraw/zinc/18/17/41/509181741.db2.gz DUATTYIBUDWTJR-CYBMUJFWSA-N -1 3 370.409 2.651 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)n1 ZINC000195489240 509190588 /nfs/dbraw/zinc/19/05/88/509190588.db2.gz OQAFVRUXDOJUIQ-UHFFFAOYSA-N -1 3 356.363 2.967 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000185844987 509382517 /nfs/dbraw/zinc/38/25/17/509382517.db2.gz APPXABDICDVURL-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000173229690 509468021 /nfs/dbraw/zinc/46/80/21/509468021.db2.gz VHPBMTOFUKTXCI-ZDUSSCGKSA-N -1 3 372.406 2.820 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183018810 509550152 /nfs/dbraw/zinc/55/01/52/509550152.db2.gz OKONZCAESCBHFO-VXGBXAGGSA-N -1 3 373.500 2.588 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2ccccc2C)cc1[N+](=O)[O-] ZINC000186252281 509603956 /nfs/dbraw/zinc/60/39/56/509603956.db2.gz UNBNNRLNJPLEMM-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000167597281 509635455 /nfs/dbraw/zinc/63/54/55/509635455.db2.gz DXAMGSRSHRMRRK-TZMCWYRMSA-N -1 3 362.407 2.746 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000167597173 509635493 /nfs/dbraw/zinc/63/54/93/509635493.db2.gz DXAMGSRSHRMRRK-GXTWGEPZSA-N -1 3 362.407 2.746 20 5 FFBDHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173595387 509666445 /nfs/dbraw/zinc/66/64/45/509666445.db2.gz WIAKOXCHAYNGAH-JTQLQIEISA-N -1 3 354.359 2.782 20 5 FFBDHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000173717173 509736511 /nfs/dbraw/zinc/73/65/11/509736511.db2.gz BUWJYDNYHJJQHY-ZDUSSCGKSA-N -1 3 350.396 2.649 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)c(F)c1 ZINC000190335504 510070687 /nfs/dbraw/zinc/07/06/87/510070687.db2.gz HIKJAAYJUGWFKR-AWEZNQCLSA-N -1 3 366.370 2.795 20 5 FFBDHM CCc1ccccc1C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000187165953 510098557 /nfs/dbraw/zinc/09/85/57/510098557.db2.gz NUQZVHLGACKDIF-UHFFFAOYSA-N -1 3 368.386 2.783 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)c([N+](=O)[O-])c1 ZINC000190456448 510142465 /nfs/dbraw/zinc/14/24/65/510142465.db2.gz XFLSXCPOURCCJZ-UHFFFAOYSA-N -1 3 362.407 2.959 20 5 FFBDHM CN1C(=O)CCc2cc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc21 ZINC000171556715 510224826 /nfs/dbraw/zinc/22/48/26/510224826.db2.gz PYGWJYKZKHUBBS-UHFFFAOYSA-N -1 3 365.349 2.632 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1[N+](=O)[O-] ZINC000187623741 510359302 /nfs/dbraw/zinc/35/93/02/510359302.db2.gz BPIUKBGXVVYUSK-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184607368 510414079 /nfs/dbraw/zinc/41/40/79/510414079.db2.gz PNCRNNUMTHZSIR-AWEZNQCLSA-N -1 3 361.423 2.929 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1ccn(C2CCCC2)n1 ZINC000184711754 510479224 /nfs/dbraw/zinc/47/92/24/510479224.db2.gz ALJDFZCCQMIYTE-UHFFFAOYSA-N -1 3 364.427 2.526 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000194783996 510525850 /nfs/dbraw/zinc/52/58/50/510525850.db2.gz SQTKRQOBKHIBOQ-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM Cc1cccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000181978952 510690018 /nfs/dbraw/zinc/69/00/18/510690018.db2.gz HWNXECCGMPPWOM-UHFFFAOYSA-N -1 3 357.410 2.813 20 5 FFBDHM CC(C)CCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000195236525 510730762 /nfs/dbraw/zinc/73/07/62/510730762.db2.gz QGKOPBGHCLARIJ-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270612274 510923716 /nfs/dbraw/zinc/92/37/16/510923716.db2.gz YNFOLCGXBFWJJI-QMMMGPOBSA-N -1 3 373.822 2.529 20 5 FFBDHM C[C@H](CON=C([O-])Nc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000271088662 511079571 /nfs/dbraw/zinc/07/95/71/511079571.db2.gz HQHRSJHDAJRIQV-SNVBAGLBSA-N -1 3 354.363 2.561 20 5 FFBDHM C[C@H](CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000271088662 511079573 /nfs/dbraw/zinc/07/95/73/511079573.db2.gz HQHRSJHDAJRIQV-SNVBAGLBSA-N -1 3 354.363 2.561 20 5 FFBDHM Cc1c(NC(=O)[N-]OC[C@@H]2CCOC2)cc(Br)cc1[N+](=O)[O-] ZINC000280878431 511637885 /nfs/dbraw/zinc/63/78/85/511637885.db2.gz ZJULCXWQAJDSPV-SECBINFHSA-N -1 3 374.191 2.755 20 5 FFBDHM Cc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c(OCCN(C)C)c1 ZINC000281054848 511704038 /nfs/dbraw/zinc/70/40/38/511704038.db2.gz XZZDCOPNSHPLPL-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]OCCC(F)(F)F)cc1OC ZINC000275077904 512035053 /nfs/dbraw/zinc/03/50/53/512035053.db2.gz MOVBDDHJLRUAOO-UHFFFAOYSA-N -1 3 352.265 2.616 20 5 FFBDHM CSc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000364426321 512108394 /nfs/dbraw/zinc/10/83/94/512108394.db2.gz ZXVRWTSUZCGOLO-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000364426321 512108395 /nfs/dbraw/zinc/10/83/95/512108395.db2.gz ZXVRWTSUZCGOLO-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CCC(CC)(CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000391133827 512913779 /nfs/dbraw/zinc/91/37/79/512913779.db2.gz YSDSTGWAXLFUHK-UHFFFAOYSA-N -1 3 372.443 2.876 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000398069948 512952686 /nfs/dbraw/zinc/95/26/86/512952686.db2.gz ITKRMJSWJNQISC-WMLDXEAASA-N -1 3 369.421 2.941 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cnc2cnccc2c1 ZINC000409606079 513125242 /nfs/dbraw/zinc/12/52/42/513125242.db2.gz GUEQGIJHJFFLDA-UHFFFAOYSA-N -1 3 360.333 2.602 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000447015467 513384025 /nfs/dbraw/zinc/38/40/25/513384025.db2.gz GMAMSJIXBAFPLU-LLVKDONJSA-N -1 3 370.349 2.563 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cs1 ZINC000416384840 513744279 /nfs/dbraw/zinc/74/42/79/513744279.db2.gz IOJDIQOEDHECJC-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000436156919 513777321 /nfs/dbraw/zinc/77/73/21/513777321.db2.gz ACWSREFYZZMQMR-OAHLLOKOSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1nc2c(s1)CCC2 ZINC000416527336 513818220 /nfs/dbraw/zinc/81/82/20/513818220.db2.gz AYTNWFCCGPDFME-JTQLQIEISA-N -1 3 367.452 2.888 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC000416528571 513818947 /nfs/dbraw/zinc/81/89/47/513818947.db2.gz BMQGMWKPRVRUDU-SNVBAGLBSA-N -1 3 367.452 2.888 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000416538831 513823842 /nfs/dbraw/zinc/82/38/42/513823842.db2.gz RFTUEHRVIXXMQH-SECBINFHSA-N -1 3 353.425 2.580 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)c1C ZINC000416600129 513859795 /nfs/dbraw/zinc/85/97/95/513859795.db2.gz QYTMHZPAQHNDKA-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451654222 513891797 /nfs/dbraw/zinc/89/17/97/513891797.db2.gz OHPSXVHAVIBGMM-SNVBAGLBSA-N -1 3 370.349 2.539 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000443274583 513916175 /nfs/dbraw/zinc/91/61/75/513916175.db2.gz JTVNBRFEPWFCLG-UHFFFAOYSA-N -1 3 350.396 2.520 20 5 FFBDHM O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436618416 513920809 /nfs/dbraw/zinc/92/08/09/513920809.db2.gz NTNOFMDIOZRTIM-UHFFFAOYSA-N -1 3 364.317 2.714 20 5 FFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443290223 513922174 /nfs/dbraw/zinc/92/21/74/513922174.db2.gz XHQYIMYVLBKXGQ-UHFFFAOYSA-N -1 3 364.851 2.858 20 5 FFBDHM Cc1cc([N+](=O)[O-])cnc1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436704406 513949174 /nfs/dbraw/zinc/94/91/74/513949174.db2.gz LUGUTUFAZPGPPQ-UHFFFAOYSA-N -1 3 356.382 2.721 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)c1C ZINC000443373598 513953531 /nfs/dbraw/zinc/95/35/31/513953531.db2.gz MWEGCIHIHHUKFF-LBPRGKRZSA-N -1 3 364.423 2.827 20 5 FFBDHM O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000443382607 513956581 /nfs/dbraw/zinc/95/65/81/513956581.db2.gz LDSGBEHTKADTIA-HZPDHXFCSA-N -1 3 373.365 2.630 20 5 FFBDHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451796866 513985953 /nfs/dbraw/zinc/98/59/53/513985953.db2.gz NEJRUUZYARNUHT-GFCCVEGCSA-N -1 3 370.349 2.707 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c2ncccc12 ZINC000451819661 514002619 /nfs/dbraw/zinc/00/26/19/514002619.db2.gz BGJQMMSCJNAEAG-SNVBAGLBSA-N -1 3 371.365 2.857 20 5 FFBDHM Cc1ccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426752731 514032816 /nfs/dbraw/zinc/03/28/16/514032816.db2.gz BHSPLJYKPMPECJ-QGZVFWFLSA-N -1 3 369.421 2.899 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436935924 514041917 /nfs/dbraw/zinc/04/19/17/514041917.db2.gz FARJLMJWYITNLU-CXAGYDPISA-N -1 3 355.394 2.551 20 5 FFBDHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000451931707 514079549 /nfs/dbraw/zinc/07/95/49/514079549.db2.gz LYHIHKYEDPQKSJ-SNVBAGLBSA-N -1 3 372.834 2.813 20 5 FFBDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451935704 514081347 /nfs/dbraw/zinc/08/13/47/514081347.db2.gz RQJZSIVFECKELN-VIFPVBQESA-N -1 3 358.807 2.504 20 5 FFBDHM COc1cc(CNC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000417584993 514422980 /nfs/dbraw/zinc/42/29/80/514422980.db2.gz OBMOAKSREIOENR-CYBMUJFWSA-N -1 3 374.393 2.993 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1[N+](=O)[O-] ZINC000508084042 514660048 /nfs/dbraw/zinc/66/00/48/514660048.db2.gz MCZMZSAPWNXGGW-UHFFFAOYSA-N -1 3 364.370 2.850 20 5 FFBDHM COc1cc(CN[C@H](CO)Cc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000453632559 514740956 /nfs/dbraw/zinc/74/09/56/514740956.db2.gz PSRPXWNBTGTVJN-INIZCTEOSA-N -1 3 360.410 2.619 20 5 FFBDHM O=C([N-]c1cc(-c2ccccc2)on1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000479844553 514743670 /nfs/dbraw/zinc/74/36/70/514743670.db2.gz PBCVOSIIQVHCCK-UHFFFAOYSA-N -1 3 367.317 2.695 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2oc(CC3CC3)nc2C)cc([N+](=O)[O-])c1 ZINC000475954745 514865916 /nfs/dbraw/zinc/86/59/16/514865916.db2.gz GQZKMRTVLJXDEJ-UHFFFAOYSA-N -1 3 359.338 2.883 20 5 FFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467400156 514995040 /nfs/dbraw/zinc/99/50/40/514995040.db2.gz SUASDAHFLXVJMA-UHFFFAOYSA-N -1 3 356.425 2.842 20 5 FFBDHM Cc1cc(C)n2nc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3NC(C)C)nc2n1 ZINC000456174666 515001210 /nfs/dbraw/zinc/00/12/10/515001210.db2.gz HOYJRQLJMGJMEV-UHFFFAOYSA-N -1 3 369.385 2.722 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)c1[N+](=O)[O-] ZINC000480703437 515051545 /nfs/dbraw/zinc/05/15/45/515051545.db2.gz YKJIUWRGXUXMBQ-UHFFFAOYSA-N -1 3 370.456 2.665 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)c1[N+](=O)[O-] ZINC000480737877 515065019 /nfs/dbraw/zinc/06/50/19/515065019.db2.gz FMVDVZKUIDGQFO-AWEZNQCLSA-N -1 3 370.471 2.679 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cc(F)c(F)c(F)c1 ZINC000503740743 515133277 /nfs/dbraw/zinc/13/32/77/515133277.db2.gz QNJNGSUJOZCTGA-UHFFFAOYSA-N -1 3 374.340 2.842 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C12CCC2 ZINC000480978556 515158496 /nfs/dbraw/zinc/15/84/96/515158496.db2.gz JASYFMKPPPWIQG-LSDHHAIUSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000462711986 515205649 /nfs/dbraw/zinc/20/56/49/515205649.db2.gz TYHOXDDTFZJQAX-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM CC(C)n1cnc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000490437965 515211341 /nfs/dbraw/zinc/21/13/41/515211341.db2.gz JEWSUTZUKFHTAU-UHFFFAOYSA-N -1 3 352.416 2.586 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000462718953 515211363 /nfs/dbraw/zinc/21/13/63/515211363.db2.gz FIZWTMKHMBLNNO-RWMBFGLXSA-N -1 3 354.428 2.851 20 5 FFBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000490643436 515270177 /nfs/dbraw/zinc/27/01/77/515270177.db2.gz JKWDQMWMURIXFZ-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509807864 515332137 /nfs/dbraw/zinc/33/21/37/515332137.db2.gz SLNIDCWOULUGKJ-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCC1CCCCC1)OCCO2 ZINC000477130948 515341624 /nfs/dbraw/zinc/34/16/24/515341624.db2.gz CXSLGPNEXGHAON-UHFFFAOYSA-N -1 3 370.427 2.615 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000491203988 515395887 /nfs/dbraw/zinc/39/58/87/515395887.db2.gz VECOSKSOIPKSBK-LLVKDONJSA-N -1 3 368.386 2.825 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000491286096 515407926 /nfs/dbraw/zinc/40/79/26/515407926.db2.gz VLRSVZYXONSCCP-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2[n-]nc3c2cccc3OC)cc([N+](=O)[O-])c1 ZINC000486388069 515462607 /nfs/dbraw/zinc/46/26/07/515462607.db2.gz QIUTUEWUXAXOKG-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000511360202 515876786 /nfs/dbraw/zinc/87/67/86/515876786.db2.gz NXQOLLGDSSPZNR-UHFFFAOYSA-N -1 3 352.334 2.747 20 5 FFBDHM CC[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000483161921 515961545 /nfs/dbraw/zinc/96/15/45/515961545.db2.gz WLYYQPZIEZTMBW-JTQLQIEISA-N -1 3 372.307 2.682 20 5 FFBDHM CC[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000483161921 515961551 /nfs/dbraw/zinc/96/15/51/515961551.db2.gz WLYYQPZIEZTMBW-JTQLQIEISA-N -1 3 372.307 2.682 20 5 FFBDHM CC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000483161921 515961561 /nfs/dbraw/zinc/96/15/61/515961561.db2.gz WLYYQPZIEZTMBW-JTQLQIEISA-N -1 3 372.307 2.682 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000478786768 515963178 /nfs/dbraw/zinc/96/31/78/515963178.db2.gz XYUVMHAVVSMSNI-YPMHNXCESA-N -1 3 362.473 2.837 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000474310209 515985483 /nfs/dbraw/zinc/98/54/83/515985483.db2.gz LCGDWZNWRPIPFH-AWEZNQCLSA-N -1 3 368.798 2.801 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])c1 ZINC000511922614 516078834 /nfs/dbraw/zinc/07/88/34/516078834.db2.gz LHBGZEQRLDTQKQ-HNNXBMFYSA-N -1 3 362.407 2.878 20 5 FFBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000535443387 516358168 /nfs/dbraw/zinc/35/81/68/516358168.db2.gz RBXJBZZGYIZGHK-JTQLQIEISA-N -1 3 367.793 2.825 20 5 FFBDHM CCOc1ccc(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000523161942 516399853 /nfs/dbraw/zinc/39/98/53/516399853.db2.gz UIDOHDXXXPAZLZ-UHFFFAOYSA-N -1 3 366.377 2.987 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1[N+](=O)[O-] ZINC000540325186 516511452 /nfs/dbraw/zinc/51/14/52/516511452.db2.gz YHFZEDVUOPTKEX-SECBINFHSA-N -1 3 364.408 2.639 20 5 FFBDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000523622364 516522957 /nfs/dbraw/zinc/52/29/57/516522957.db2.gz BLMJQBRIXWEUNS-OAHLLOKOSA-N -1 3 369.487 2.836 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@@H]2C)c([N+](=O)[O-])c1 ZINC000561559893 516654135 /nfs/dbraw/zinc/65/41/35/516654135.db2.gz VWGCDZLQJUHWQN-HWPZZCPQSA-N -1 3 366.370 2.843 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cnn(-c2ccccc2)c1 ZINC000558784167 516942197 /nfs/dbraw/zinc/94/21/97/516942197.db2.gz FVBQFBQTPAANPK-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000544841379 516954553 /nfs/dbraw/zinc/95/45/53/516954553.db2.gz MXPXBNSWXUGZKL-QMMMGPOBSA-N -1 3 356.322 2.613 20 5 FFBDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000545386460 517213951 /nfs/dbraw/zinc/21/39/51/517213951.db2.gz SSIFJYPVBHXPBL-BXUZGUMPSA-N -1 3 350.396 2.931 20 5 FFBDHM Cc1[n-][nH]c(=NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1-c1ccccc1 ZINC000541847233 517248243 /nfs/dbraw/zinc/24/82/43/517248243.db2.gz FOFSVPSTRAYNLJ-UHFFFAOYSA-N -1 3 366.333 2.696 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000520154949 517283651 /nfs/dbraw/zinc/28/36/51/517283651.db2.gz IEUOFNVNNFYYRG-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000552508505 517288826 /nfs/dbraw/zinc/28/88/26/517288826.db2.gz NARCBUYKMMEYJG-UHFFFAOYSA-N -1 3 353.294 2.530 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000515520462 517390569 /nfs/dbraw/zinc/39/05/69/517390569.db2.gz DTKYESVVBAPULR-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM Cc1c(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] ZINC000515572633 517409476 /nfs/dbraw/zinc/40/94/76/517409476.db2.gz PTSNKCQNIISGFT-UHFFFAOYSA-N -1 3 364.379 2.536 20 5 FFBDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000549235002 517468468 /nfs/dbraw/zinc/46/84/68/517468468.db2.gz POAFDSULLNWSTB-ZSBIGDGJSA-N -1 3 360.407 2.606 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000520736820 517494950 /nfs/dbraw/zinc/49/49/50/517494950.db2.gz SPEJRIFTMZMZIV-CYBMUJFWSA-N -1 3 364.423 2.821 20 5 FFBDHM CC(C)Cn1ncc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C(F)F ZINC000534121466 517749794 /nfs/dbraw/zinc/74/97/94/517749794.db2.gz PBMVOQBPFBTYNP-UHFFFAOYSA-N -1 3 355.301 2.738 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000516606392 517765651 /nfs/dbraw/zinc/76/56/51/517765651.db2.gz KFJZERLNMJCENR-UHFFFAOYSA-N -1 3 369.468 2.924 20 5 FFBDHM CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000560638634 517947309 /nfs/dbraw/zinc/94/73/09/517947309.db2.gz WWOVTVQNSKRROS-IBGZPJMESA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1nc(C)c(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)s1 ZINC000516982561 517959261 /nfs/dbraw/zinc/95/92/61/517959261.db2.gz JZGYDPSYGFJFGO-UHFFFAOYSA-N -1 3 350.385 2.767 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](N2CCCCC2)C1 ZINC000581609991 518370820 /nfs/dbraw/zinc/37/08/20/518370820.db2.gz WGFFSCXCYHGWRI-GFCCVEGCSA-N -1 3 353.806 2.654 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC000586774840 518638879 /nfs/dbraw/zinc/63/88/79/518638879.db2.gz NLPYBNAEPYXBDG-UHFFFAOYSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2F)[C@H](C)O)cc1[N+](=O)[O-] ZINC000582364629 518718288 /nfs/dbraw/zinc/71/82/88/518718288.db2.gz MZFRGLZXRKJRCB-RMLUDKJBSA-N -1 3 374.415 2.504 20 5 FFBDHM COc1ccc(OCCN2CCC(CCC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000576709251 518724763 /nfs/dbraw/zinc/72/47/63/518724763.db2.gz QBJYUUDNYRQXML-UHFFFAOYSA-N -1 3 352.387 2.559 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000582912281 518982374 /nfs/dbraw/zinc/98/23/74/518982374.db2.gz XSGBGRCTDOWYLF-TZMCWYRMSA-N -1 3 356.382 2.935 20 5 FFBDHM Cc1c(C(=O)[O-])cnn1C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000580085776 519001652 /nfs/dbraw/zinc/00/16/52/519001652.db2.gz SJFWFXIMGWHASX-UHFFFAOYSA-N -1 3 358.398 2.943 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000574214692 519043839 /nfs/dbraw/zinc/04/38/39/519043839.db2.gz XJZSVIIMRHLVEE-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM CC(C)(C)N1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000568513951 519078034 /nfs/dbraw/zinc/07/80/34/519078034.db2.gz RZYLAPRXAFFSCT-UHFFFAOYSA-N -1 3 355.822 2.900 20 5 FFBDHM C[C@@H]1CN(CCCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000577518382 519122600 /nfs/dbraw/zinc/12/26/00/519122600.db2.gz UPXGOSFFIWLQCU-OKILXGFUSA-N -1 3 365.430 2.523 20 5 FFBDHM O=C(c1cccc2[n-]nnc21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583365521 519209079 /nfs/dbraw/zinc/20/90/79/519209079.db2.gz XBTNLGYOIALAAH-CYBMUJFWSA-N -1 3 351.366 2.886 20 5 FFBDHM O=C(c1cccc2nn[n-]c21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583365521 519209091 /nfs/dbraw/zinc/20/90/91/519209091.db2.gz XBTNLGYOIALAAH-CYBMUJFWSA-N -1 3 351.366 2.886 20 5 FFBDHM O=C(c1cccc2n[n-]nc21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583365521 519209092 /nfs/dbraw/zinc/20/90/92/519209092.db2.gz XBTNLGYOIALAAH-CYBMUJFWSA-N -1 3 351.366 2.886 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000566271841 519404566 /nfs/dbraw/zinc/40/45/66/519404566.db2.gz ZHUINJZXUZZWFF-RHSMWYFYSA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c1C ZINC000583775653 519427515 /nfs/dbraw/zinc/42/75/15/519427515.db2.gz XQZFRGYUHWZBFC-CYBMUJFWSA-N -1 3 362.407 2.666 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c1C ZINC000594473047 519982491 /nfs/dbraw/zinc/98/24/91/519982491.db2.gz IYEFPUWMEIKCKB-JKSUJKDBSA-N -1 3 368.455 2.838 20 5 FFBDHM COc1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000592054391 520156398 /nfs/dbraw/zinc/15/63/98/520156398.db2.gz RFEYMAIWQQVELK-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594801639 520164535 /nfs/dbraw/zinc/16/45/35/520164535.db2.gz QMKXRNKMCRGAIW-LBPRGKRZSA-N -1 3 362.835 2.732 20 5 FFBDHM CC(C)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000594845236 520184113 /nfs/dbraw/zinc/18/41/13/520184113.db2.gz PMJWLOFXFGNKKC-UHFFFAOYSA-N -1 3 369.212 2.774 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(F)ccc2F)cc1C ZINC000609199165 520228150 /nfs/dbraw/zinc/22/81/50/520228150.db2.gz ICKAORHRTAARNR-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM CCc1cc(C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000600535844 520311985 /nfs/dbraw/zinc/31/19/85/520311985.db2.gz JHPCNCKONWNZBP-LJQANCHMSA-N -1 3 372.377 2.681 20 5 FFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000603956608 520415191 /nfs/dbraw/zinc/41/51/91/520415191.db2.gz WYVUXJHJIXMCJM-OAHLLOKOSA-N -1 3 373.450 2.523 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000603958630 520415587 /nfs/dbraw/zinc/41/55/87/520415587.db2.gz DMSMIPHHPWMGAQ-MFKMUULPSA-N -1 3 366.395 2.798 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccnc2OC(C)C)cc1[N+](=O)[O-] ZINC000613471532 520519008 /nfs/dbraw/zinc/51/90/08/520519008.db2.gz QOQOHJYJVSRXKO-UHFFFAOYSA-N -1 3 371.440 2.625 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000610269597 520614106 /nfs/dbraw/zinc/61/41/06/520614106.db2.gz UYYOZJIQAQYTEO-GJZGRUSLSA-N -1 3 354.428 2.611 20 5 FFBDHM COc1ccccc1COC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596181810 520957864 /nfs/dbraw/zinc/95/78/64/520957864.db2.gz JMCIOIIWLSCKGV-UHFFFAOYSA-N -1 3 359.382 2.890 20 5 FFBDHM CCCCn1c(=O)[n-]nc1SCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593418456 520982538 /nfs/dbraw/zinc/98/25/38/520982538.db2.gz HKAWSVRTGJCNOE-UHFFFAOYSA-N -1 3 366.399 2.771 20 5 FFBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1[O-] ZINC000611101785 520984457 /nfs/dbraw/zinc/98/44/57/520984457.db2.gz LNHPOTSYNSVGFI-UHFFFAOYSA-N -1 3 363.757 2.712 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)cc1C ZINC000599464731 521240235 /nfs/dbraw/zinc/24/02/35/521240235.db2.gz RNWRREOZKGGMCV-HNNXBMFYSA-N -1 3 367.471 2.507 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1Cc2ccc(F)cc21 ZINC000619473430 521586279 /nfs/dbraw/zinc/58/62/79/521586279.db2.gz QKXJZKRPMQAZFN-OAHLLOKOSA-N -1 3 352.325 2.824 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cs1 ZINC000619483099 521591569 /nfs/dbraw/zinc/59/15/69/521591569.db2.gz OFJUOCDGIORVCO-VIFPVBQESA-N -1 3 371.440 2.662 20 5 FFBDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489815 521594673 /nfs/dbraw/zinc/59/46/73/521594673.db2.gz PDBQUQXOQKGOFP-AAEUAGOBSA-N -1 3 374.484 2.946 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000597264862 521602108 /nfs/dbraw/zinc/60/21/08/521602108.db2.gz NGBONVIMWJKIFK-LLVKDONJSA-N -1 3 374.422 2.744 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCc1ccccc1 ZINC000619568419 521773101 /nfs/dbraw/zinc/77/31/01/521773101.db2.gz VPSDGPNEXIRQOQ-UHFFFAOYSA-N -1 3 364.423 2.905 20 5 FFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473845268 561058944 /nfs/dbraw/zinc/05/89/44/561058944.db2.gz FMGHNZHTQOTVRX-HNNXBMFYSA-N -1 3 355.354 2.763 20 5 FFBDHM CC(=O)Nc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)nc1 ZINC000542099555 562626907 /nfs/dbraw/zinc/62/69/07/562626907.db2.gz YKTXOHURPASTBY-UHFFFAOYSA-N -1 3 366.337 2.591 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c(Cl)cccc2C1 ZINC000738359440 598854962 /nfs/dbraw/zinc/85/49/62/598854962.db2.gz RKGLFIOSKIFAQF-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c(Cl)cccc2C1 ZINC000738359440 598854963 /nfs/dbraw/zinc/85/49/63/598854963.db2.gz RKGLFIOSKIFAQF-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM CCOc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1OC ZINC000736626203 598914100 /nfs/dbraw/zinc/91/41/00/598914100.db2.gz PYSOANVNIGWPBL-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM CCOc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1OC ZINC000736626203 598914101 /nfs/dbraw/zinc/91/41/01/598914101.db2.gz PYSOANVNIGWPBL-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCOc1ccc(F)cc1F ZINC000738357523 598386879 /nfs/dbraw/zinc/38/68/79/598386879.db2.gz FAOJWHUCHLRLBO-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCOc1ccc(F)cc1F ZINC000738357523 598386880 /nfs/dbraw/zinc/38/68/80/598386880.db2.gz FAOJWHUCHLRLBO-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000738370790 598387161 /nfs/dbraw/zinc/38/71/61/598387161.db2.gz QKGBDSINRPGNMQ-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000738370790 598387163 /nfs/dbraw/zinc/38/71/63/598387163.db2.gz QKGBDSINRPGNMQ-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM COc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737072104 598489542 /nfs/dbraw/zinc/48/95/42/598489542.db2.gz PPEBDIGIEHSOKR-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737072104 598489544 /nfs/dbraw/zinc/48/95/44/598489544.db2.gz PPEBDIGIEHSOKR-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000737236364 598491047 /nfs/dbraw/zinc/49/10/47/598491047.db2.gz JHDRDCQNRPVQDN-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000737236364 598491048 /nfs/dbraw/zinc/49/10/48/598491048.db2.gz JHDRDCQNRPVQDN-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738165929 598592688 /nfs/dbraw/zinc/59/26/88/598592688.db2.gz HLOQDOITXXPYSQ-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738165929 598592690 /nfs/dbraw/zinc/59/26/90/598592690.db2.gz HLOQDOITXXPYSQ-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000738367621 598676330 /nfs/dbraw/zinc/67/63/30/598676330.db2.gz WJNSFWYRJPAUJB-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000738367621 598676332 /nfs/dbraw/zinc/67/63/32/598676332.db2.gz WJNSFWYRJPAUJB-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(C[C@H]1CCCO1)C1CCCC1 ZINC000738360417 599323223 /nfs/dbraw/zinc/32/32/23/599323223.db2.gz WLAZDLMHHLLLOV-CQSZACIVSA-N -1 3 358.402 2.703 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(C[C@H]1CCCO1)C1CCCC1 ZINC000738360417 599323225 /nfs/dbraw/zinc/32/32/25/599323225.db2.gz WLAZDLMHHLLLOV-CQSZACIVSA-N -1 3 358.402 2.703 20 5 FFBDHM CN(C(=O)CSc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000821570599 599345355 /nfs/dbraw/zinc/34/53/55/599345355.db2.gz CHRXXRQRJBVFFG-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM CN(C(=O)CSc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000821570599 599345358 /nfs/dbraw/zinc/34/53/58/599345358.db2.gz CHRXXRQRJBVFFG-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820462528 599357180 /nfs/dbraw/zinc/35/71/80/599357180.db2.gz YITXRZDUCXUMNZ-JTQLQIEISA-N -1 3 350.342 2.596 20 5 FFBDHM C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820462528 599357183 /nfs/dbraw/zinc/35/71/83/599357183.db2.gz YITXRZDUCXUMNZ-JTQLQIEISA-N -1 3 350.342 2.596 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821882870 599583323 /nfs/dbraw/zinc/58/33/23/599583323.db2.gz MRARFTHWQKBGIM-FUHWJXTLSA-N -1 3 366.381 2.926 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821882870 599583324 /nfs/dbraw/zinc/58/33/24/599583324.db2.gz MRARFTHWQKBGIM-FUHWJXTLSA-N -1 3 366.381 2.926 20 5 FFBDHM CCc1ccc([C@H](COC)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821481150 599585248 /nfs/dbraw/zinc/58/52/48/599585248.db2.gz IEYUBMCSMVQVGR-AWEZNQCLSA-N -1 3 358.358 2.730 20 5 FFBDHM CCc1ccc([C@H](COC)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821481150 599585251 /nfs/dbraw/zinc/58/52/51/599585251.db2.gz IEYUBMCSMVQVGR-AWEZNQCLSA-N -1 3 358.358 2.730 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821882650 599585594 /nfs/dbraw/zinc/58/55/94/599585594.db2.gz GTIXHRZASWQIBZ-FUHWJXTLSA-N -1 3 366.381 2.926 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821882650 599585597 /nfs/dbraw/zinc/58/55/97/599585597.db2.gz GTIXHRZASWQIBZ-FUHWJXTLSA-N -1 3 366.381 2.926 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822271201 599667486 /nfs/dbraw/zinc/66/74/86/599667486.db2.gz QGAMBFPBVGNZSB-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822271201 599667487 /nfs/dbraw/zinc/66/74/87/599667487.db2.gz QGAMBFPBVGNZSB-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1c(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cccc1[N+](=O)[O-] ZINC000826236480 607443365 /nfs/dbraw/zinc/44/33/65/607443365.db2.gz NYKLJCPGGMFZCQ-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1c(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cccc1[N+](=O)[O-] ZINC000826236480 607443366 /nfs/dbraw/zinc/44/33/66/607443366.db2.gz NYKLJCPGGMFZCQ-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000826253783 607445361 /nfs/dbraw/zinc/44/53/61/607445361.db2.gz DJAMNGHODYDTFI-UHFFFAOYSA-N -1 3 371.328 2.888 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000826253783 607445363 /nfs/dbraw/zinc/44/53/63/607445363.db2.gz DJAMNGHODYDTFI-UHFFFAOYSA-N -1 3 371.328 2.888 20 5 FFBDHM CCOc1cc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000825615565 607559521 /nfs/dbraw/zinc/55/95/21/607559521.db2.gz AIPGXLRWMLEABR-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM CCOc1cc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000825615565 607559523 /nfs/dbraw/zinc/55/95/23/607559523.db2.gz AIPGXLRWMLEABR-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM C[C@](CNC(=O)[O-])(NCc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000824952003 603573615 /nfs/dbraw/zinc/57/36/15/603573615.db2.gz GWANTXVLGILECY-CQSZACIVSA-N -1 3 372.219 2.883 20 5 FFBDHM O=C([O-])[C@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000833771676 604650207 /nfs/dbraw/zinc/65/02/07/604650207.db2.gz MKXMBBRGLJXKAJ-GFCCVEGCSA-N -1 3 356.325 2.883 20 5 FFBDHM C[C@@]1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833568722 604812819 /nfs/dbraw/zinc/81/28/19/604812819.db2.gz IBDMJZVDKLDCLS-SUMWQHHRSA-N -1 3 360.370 2.768 20 5 FFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833420230 604864014 /nfs/dbraw/zinc/86/40/14/604864014.db2.gz PETWUHFJUBZVTG-CQSZACIVSA-N -1 3 373.413 2.634 20 5 FFBDHM O=C([O-])N1CC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000834077824 605556488 /nfs/dbraw/zinc/55/64/88/605556488.db2.gz KUPVOJHGWQPZCF-NSHDSACASA-N -1 3 362.411 2.808 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821978278 606268640 /nfs/dbraw/zinc/26/86/40/606268640.db2.gz KXPNJXOWJCGNMH-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821978278 606268641 /nfs/dbraw/zinc/26/86/41/606268641.db2.gz KXPNJXOWJCGNMH-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM COc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821773089 606341820 /nfs/dbraw/zinc/34/18/20/606341820.db2.gz ZXBXFGZUKLZEDA-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821773089 606341821 /nfs/dbraw/zinc/34/18/21/606341821.db2.gz ZXBXFGZUKLZEDA-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574604 606414682 /nfs/dbraw/zinc/41/46/82/606414682.db2.gz OFMRIDYZYUHKSK-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574604 606414685 /nfs/dbraw/zinc/41/46/85/606414685.db2.gz OFMRIDYZYUHKSK-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820916083 606588727 /nfs/dbraw/zinc/58/87/27/606588727.db2.gz YCRQFVQTDWXLOW-INIZCTEOSA-N -1 3 366.381 2.585 20 5 FFBDHM CC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820916083 606588728 /nfs/dbraw/zinc/58/87/28/606588728.db2.gz YCRQFVQTDWXLOW-INIZCTEOSA-N -1 3 366.381 2.585 20 5 FFBDHM Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000822203511 606591209 /nfs/dbraw/zinc/59/12/09/606591209.db2.gz XLSAXFHLTOLXBI-JTQLQIEISA-N -1 3 370.344 2.713 20 5 FFBDHM Cc1cc(F)cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000822203511 606591211 /nfs/dbraw/zinc/59/12/11/606591211.db2.gz XLSAXFHLTOLXBI-JTQLQIEISA-N -1 3 370.344 2.713 20 5 FFBDHM O=[N+]([O-])c1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000823647524 606597637 /nfs/dbraw/zinc/59/76/37/606597637.db2.gz LJRNKSNSBTXCIA-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM O=[N+]([O-])c1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000823647524 606597638 /nfs/dbraw/zinc/59/76/38/606597638.db2.gz LJRNKSNSBTXCIA-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM CO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821679164 606609581 /nfs/dbraw/zinc/60/95/81/606609581.db2.gz YAKIRWOUIRZINF-ZIAGYGMSSA-N -1 3 369.385 2.549 20 5 FFBDHM CO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821679164 606609583 /nfs/dbraw/zinc/60/95/83/606609583.db2.gz YAKIRWOUIRZINF-ZIAGYGMSSA-N -1 3 369.385 2.549 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822271396 606642735 /nfs/dbraw/zinc/64/27/35/606642735.db2.gz YWMSHFLKSUTLRA-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822271396 606642736 /nfs/dbraw/zinc/64/27/36/606642736.db2.gz YWMSHFLKSUTLRA-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822982658 606685363 /nfs/dbraw/zinc/68/53/63/606685363.db2.gz GCVGZJAEFFGIRV-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822982658 606685364 /nfs/dbraw/zinc/68/53/64/606685364.db2.gz GCVGZJAEFFGIRV-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826272421 608052176 /nfs/dbraw/zinc/05/21/76/608052176.db2.gz IRFLJLWEHADGIY-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826272421 608052177 /nfs/dbraw/zinc/05/21/77/608052177.db2.gz IRFLJLWEHADGIY-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM CCCCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825291017 608164718 /nfs/dbraw/zinc/16/47/18/608164718.db2.gz LMIBWBNPBLUJLE-QMMMGPOBSA-N -1 3 368.781 2.572 20 5 FFBDHM CCCCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825291017 608164716 /nfs/dbraw/zinc/16/47/16/608164716.db2.gz LMIBWBNPBLUJLE-QMMMGPOBSA-N -1 3 368.781 2.572 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473913 608165691 /nfs/dbraw/zinc/16/56/91/608165691.db2.gz TTZSMJYYXQOVGA-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473913 608165693 /nfs/dbraw/zinc/16/56/93/608165693.db2.gz TTZSMJYYXQOVGA-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826500032 608230608 /nfs/dbraw/zinc/23/06/08/608230608.db2.gz IXPVZBJOJWCHNH-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826500032 608230610 /nfs/dbraw/zinc/23/06/10/608230610.db2.gz IXPVZBJOJWCHNH-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM CCc1ccnc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000825728356 608545816 /nfs/dbraw/zinc/54/58/16/608545816.db2.gz NKEMXWYDOHDOIA-UHFFFAOYSA-N -1 3 373.760 2.638 20 5 FFBDHM CCc1ccnc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000825728356 608545818 /nfs/dbraw/zinc/54/58/18/608545818.db2.gz NKEMXWYDOHDOIA-UHFFFAOYSA-N -1 3 373.760 2.638 20 5 FFBDHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826267020 609284492 /nfs/dbraw/zinc/28/44/92/609284492.db2.gz MBFGQFACAFOCEZ-VQHVLOKHSA-N -1 3 365.349 2.840 20 5 FFBDHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826267020 609284493 /nfs/dbraw/zinc/28/44/93/609284493.db2.gz MBFGQFACAFOCEZ-VQHVLOKHSA-N -1 3 365.349 2.840 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCOC1 ZINC000824650576 609564491 /nfs/dbraw/zinc/56/44/91/609564491.db2.gz RYEJWJVLNZGCRP-MNOVXSKESA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCOC1 ZINC000824650576 609564494 /nfs/dbraw/zinc/56/44/94/609564494.db2.gz RYEJWJVLNZGCRP-MNOVXSKESA-N -1 3 369.385 2.550 20 5 FFBDHM Cc1cccc(OCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000826300153 609597536 /nfs/dbraw/zinc/59/75/36/609597536.db2.gz KSJSIJJFUBJNAT-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1cccc(OCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000826300153 609597538 /nfs/dbraw/zinc/59/75/38/609597538.db2.gz KSJSIJJFUBJNAT-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2COc3cc(F)cc(F)c32)c(-c2nnn[n-]2)c1 ZINC000826498875 609606723 /nfs/dbraw/zinc/60/67/23/609606723.db2.gz MXBAUSPSYZBZDP-LBPRGKRZSA-N -1 3 360.280 2.599 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2COc3cc(F)cc(F)c32)c(-c2nn[n-]n2)c1 ZINC000826498875 609606724 /nfs/dbraw/zinc/60/67/24/609606724.db2.gz MXBAUSPSYZBZDP-LBPRGKRZSA-N -1 3 360.280 2.599 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000109425177 728527587 /nfs/dbraw/zinc/52/75/87/728527587.db2.gz YULRLYJDXIMZFA-UHFFFAOYSA-N -1 3 365.411 2.779 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCC2SCCS2)c(F)cc1[N+](=O)[O-] ZINC000867531662 731196648 /nfs/dbraw/zinc/19/66/48/731196648.db2.gz IBUSQRKVQSSVMQ-UHFFFAOYSA-N -1 3 366.461 2.517 20 5 FFBDHM O=C(Nc1ncccc1[O-])c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754631326 736181465 /nfs/dbraw/zinc/18/14/65/736181465.db2.gz NACQJJDBSNESLN-UHFFFAOYSA-N -1 3 356.107 2.849 20 5 FFBDHM COCCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000763086133 736900614 /nfs/dbraw/zinc/90/06/14/736900614.db2.gz KXRWIZUNBDWQEZ-UHFFFAOYSA-N -1 3 370.358 2.560 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)cc1C ZINC000918743467 737822655 /nfs/dbraw/zinc/82/26/55/737822655.db2.gz KCCWRUKMAHPHHT-SECBINFHSA-N -1 3 353.227 2.684 20 5 FFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)CO2 ZINC000778026494 738344924 /nfs/dbraw/zinc/34/49/24/738344924.db2.gz SCTOLBHVIMQBMA-ZDUSSCGKSA-N -1 3 366.370 2.763 20 5 FFBDHM Cc1ccsc1[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778420563 738381698 /nfs/dbraw/zinc/38/16/98/738381698.db2.gz XJFANXQTPKEUNP-GFCCVEGCSA-N -1 3 356.350 2.906 20 5 FFBDHM O=C(C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC000804324107 740860606 /nfs/dbraw/zinc/86/06/06/740860606.db2.gz OUIJKSGLJZEIHY-UHFFFAOYSA-N -1 3 352.253 2.832 20 5 FFBDHM C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820460918 742507910 /nfs/dbraw/zinc/50/79/10/742507910.db2.gz CPHNZAKSBNZZMG-MRVPVSSYSA-N -1 3 356.371 2.657 20 5 FFBDHM C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820460918 742507916 /nfs/dbraw/zinc/50/79/16/742507916.db2.gz CPHNZAKSBNZZMG-MRVPVSSYSA-N -1 3 356.371 2.657 20 5 FFBDHM C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824898361 743174346 /nfs/dbraw/zinc/17/43/46/743174346.db2.gz FDWBWUVDGAIXEA-SFYZADRCSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@@H]1CC[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824898361 743174349 /nfs/dbraw/zinc/17/43/49/743174349.db2.gz FDWBWUVDGAIXEA-SFYZADRCSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1Cc1ccccc1 ZINC000382042771 970976585 /nfs/dbraw/zinc/97/65/85/970976585.db2.gz UUXBQRSPWUMLCH-BBRMVZONSA-N -1 3 355.394 2.693 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000824014288 946548345 /nfs/dbraw/zinc/54/83/45/946548345.db2.gz HMCOBJFOKKZCAX-UHFFFAOYSA-N -1 3 367.369 2.502 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCNc2ccccc2[N+](=O)[O-])c1 ZINC000824014288 946548368 /nfs/dbraw/zinc/54/83/68/946548368.db2.gz HMCOBJFOKKZCAX-UHFFFAOYSA-N -1 3 367.369 2.502 20 5 FFBDHM C[C@@H]1CCCC[C@H]1OCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576166698 949589139 /nfs/dbraw/zinc/58/91/39/949589139.db2.gz NRFJIYBGAPEQOH-MEBBXXQBSA-N -1 3 364.381 2.921 20 5 FFBDHM C[C@@H]1CCCC[C@H]1OCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576166698 949589149 /nfs/dbraw/zinc/58/91/49/949589149.db2.gz NRFJIYBGAPEQOH-MEBBXXQBSA-N -1 3 364.381 2.921 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ncnc3ccsc32)c(C)c([N+](=O)[O-])c1 ZINC001271456143 973753610 /nfs/dbraw/zinc/75/36/10/973753610.db2.gz KKZMZBOSODOSAF-UHFFFAOYSA-N -1 3 372.362 2.947 20 5 FFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC001212102361 981656265 /nfs/dbraw/zinc/65/62/65/981656265.db2.gz PFBVIHVBHHMRGV-HOCLYGCPSA-N -1 3 361.423 2.708 20 5 FFBDHM CN(C)[C@H]1CCOc2c(Nc3nccc(C(=O)[O-])c3[N+](=O)[O-])cccc21 ZINC001598193959 990797701 /nfs/dbraw/zinc/79/77/01/990797701.db2.gz QFPJONXFFWSYSC-ZDUSSCGKSA-N -1 3 358.354 2.817 20 5 FFBDHM COc1cccc2c(C(=O)OCc3cc([N+](=O)[O-])ccc3OC)n[n-]c21 ZINC000808673211 994212809 /nfs/dbraw/zinc/21/28/09/994212809.db2.gz KVCDVJRCOAHULO-UHFFFAOYSA-N -1 3 357.322 2.845 20 5 FFBDHM COc1cccc2c(C(=O)OCc3cc([N+](=O)[O-])ccc3OC)[n-]nc21 ZINC000808673211 994212817 /nfs/dbraw/zinc/21/28/17/994212817.db2.gz KVCDVJRCOAHULO-UHFFFAOYSA-N -1 3 357.322 2.845 20 5 FFBDHM O=C([N-][C@H]1COc2ccc(F)cc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000811569335 995193485 /nfs/dbraw/zinc/19/34/85/995193485.db2.gz WLTGXKVTXIZYHM-CYBMUJFWSA-N -1 3 366.295 2.946 20 5 FFBDHM CN(C)CCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772239669 1001341431 /nfs/dbraw/zinc/34/14/31/1001341431.db2.gz DPLUXPQERNHYLI-UHFFFAOYSA-N -1 3 357.410 2.547 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc3ccccc32)nc1 ZINC001186742306 1003403948 /nfs/dbraw/zinc/40/39/48/1003403948.db2.gz OJXICKBGXSXJQQ-UHFFFAOYSA-N -1 3 357.391 2.664 20 5 FFBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001186800331 1003414162 /nfs/dbraw/zinc/41/41/62/1003414162.db2.gz OVXITGYOCCSGGG-LBPRGKRZSA-N -1 3 361.489 2.508 20 5 FFBDHM CS(=O)(=O)c1c(F)cccc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC001129761357 1003757577 /nfs/dbraw/zinc/75/75/77/1003757577.db2.gz KAIQWHSRYYCRGB-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001187454764 1006089806 /nfs/dbraw/zinc/08/98/06/1006089806.db2.gz YHIFEYOPWQDWQS-JTQLQIEISA-N -1 3 350.437 2.852 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])s1 ZINC001187538353 1006132780 /nfs/dbraw/zinc/13/27/80/1006132780.db2.gz SEAIPFQNNGEKSM-YPMHNXCESA-N -1 3 362.473 2.694 20 5 FFBDHM C[S@](=O)(=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1F ZINC001134852986 1006505988 /nfs/dbraw/zinc/50/59/88/1006505988.db2.gz ZLGVHIQKOQBVCC-RUZDIDTESA-N -1 3 362.342 2.907 20 5 FFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ncc([N+](=O)[O-])cc1Cl ZINC001116245853 1032214730 /nfs/dbraw/zinc/21/47/30/1032214730.db2.gz NAVBBBSUANGCHZ-UHFFFAOYSA-N -1 3 374.781 2.766 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC001179076223 1009248906 /nfs/dbraw/zinc/24/89/06/1009248906.db2.gz VHOMSVUVMLLSLP-UHFFFAOYSA-N -1 3 364.383 2.614 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC001179076223 1009248922 /nfs/dbraw/zinc/24/89/22/1009248922.db2.gz VHOMSVUVMLLSLP-UHFFFAOYSA-N -1 3 364.383 2.614 20 5 FFBDHM Cc1ccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC001171897180 1011524437 /nfs/dbraw/zinc/52/44/37/1011524437.db2.gz FDHHNQAFSOTSPZ-UHFFFAOYSA-N -1 3 373.315 2.953 20 5 FFBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001122988587 1023586300 /nfs/dbraw/zinc/58/63/00/1023586300.db2.gz CJLZDNKEEKRRPT-NWDGAFQWSA-N -1 3 358.402 2.507 20 5 FFBDHM O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1)c1ccc(F)cc1 ZINC000796106097 1028472563 /nfs/dbraw/zinc/47/25/63/1028472563.db2.gz RHRWFFKOYFDJIA-UHFFFAOYSA-N -1 3 370.296 2.929 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2ccnc3c2ccc2cccnc23)[n-]n1 ZINC001155805958 1028921053 /nfs/dbraw/zinc/92/10/53/1028921053.db2.gz RMORUVDJOGVISE-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2ccnc3c2ccc2cccnc23)n[n-]1 ZINC001155805958 1028921059 /nfs/dbraw/zinc/92/10/59/1028921059.db2.gz RMORUVDJOGVISE-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM O=c1[nH][n-]cc1CCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001156285184 1029126845 /nfs/dbraw/zinc/12/68/45/1029126845.db2.gz FFRWNZORMWCEJU-GFCCVEGCSA-N -1 3 357.345 2.720 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000798343424 1031367946 /nfs/dbraw/zinc/36/79/46/1031367946.db2.gz GLVCMCJDAHSCHU-UVTDQMKNSA-N -1 3 353.334 2.717 20 5 FFBDHM CSc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1[N+](=O)[O-] ZINC001535491292 1069806809 /nfs/dbraw/zinc/80/68/09/1069806809.db2.gz AIORKYGHLZVTFU-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC001227096857 1034934325 /nfs/dbraw/zinc/93/43/25/1034934325.db2.gz UBSJHMBUOQOAJD-AWEZNQCLSA-N -1 3 373.296 2.676 20 5 FFBDHM CCOC(=O)[C@H](C)Oc1cc(OC)cc2oc3c([O-])ccc(O)c3c(=O)c12 ZINC001227646873 1035653255 /nfs/dbraw/zinc/65/32/55/1035653255.db2.gz VCTQNTXJLSEIRR-VIFPVBQESA-N -1 3 374.345 2.696 20 5 FFBDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001228713111 1036282666 /nfs/dbraw/zinc/28/26/66/1036282666.db2.gz ICKMLIXMRJBKMN-JTQLQIEISA-N -1 3 363.395 2.919 20 5 FFBDHM C[C@H](C[N+](C)(C)C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234749918 1037166793 /nfs/dbraw/zinc/16/67/93/1037166793.db2.gz GJRCRTVXMJFHLU-SNVBAGLBSA-O -1 3 360.386 2.537 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sccc2C(=O)OC(C)(C)C)n1 ZINC001537579181 1070212558 /nfs/dbraw/zinc/21/25/58/1070212558.db2.gz BFMDJUITKLHXDU-UHFFFAOYSA-N -1 3 352.372 2.597 20 5 FFBDHM COc1cc(C)c([S@](C)=O)cc1OC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001299684753 1040653089 /nfs/dbraw/zinc/65/30/89/1040653089.db2.gz OMLCECPAYVZBMA-VWLOTQADSA-N -1 3 365.363 2.574 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])s1 ZINC001475235580 1046727391 /nfs/dbraw/zinc/72/73/91/1046727391.db2.gz JUPFJSFQMMXBRK-GFCCVEGCSA-N -1 3 368.436 2.637 20 5 FFBDHM CN(C)c1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1F ZINC000901940684 1052290979 /nfs/dbraw/zinc/29/09/79/1052290979.db2.gz PXASVXSWDRZAPG-GOSISDBHSA-N -1 3 361.373 2.890 20 5 FFBDHM Cn1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cc1C(F)(F)F ZINC001351887084 1055044008 /nfs/dbraw/zinc/04/40/08/1055044008.db2.gz FBVMXNUZXXTSQV-UHFFFAOYSA-N -1 3 350.203 2.878 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nn2c(c1Br)CCC2 ZINC001350388221 1055752539 /nfs/dbraw/zinc/75/25/39/1055752539.db2.gz KADKXOXAYFLKMZ-UHFFFAOYSA-N -1 3 369.150 2.891 20 5 FFBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001544334980 1071628613 /nfs/dbraw/zinc/62/86/13/1071628613.db2.gz YAARXCBLPJDRSE-UHFFFAOYSA-N -1 3 359.288 2.645 20 5 FFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(OC)c1Cl ZINC001451142424 1059086826 /nfs/dbraw/zinc/08/68/26/1059086826.db2.gz HBMHARIDDRQQCZ-UHFFFAOYSA-N -1 3 353.718 2.618 20 5 FFBDHM O=C([N-]c1c(Cl)cncc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001516027217 1059933632 /nfs/dbraw/zinc/93/36/32/1059933632.db2.gz PBPVNKISWQQJGN-UHFFFAOYSA-N -1 3 357.109 2.879 20 5 FFBDHM O=c1cc(CNc2ncc(Br)cc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001458597623 1060632594 /nfs/dbraw/zinc/63/25/94/1060632594.db2.gz CMEKPPVVRDADFX-UHFFFAOYSA-N -1 3 366.175 2.737 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC001475323090 1061046845 /nfs/dbraw/zinc/04/68/45/1061046845.db2.gz WJLLJMPOOFUVTG-UHFFFAOYSA-N -1 3 373.818 2.894 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CCCCC1 ZINC001475533111 1061128523 /nfs/dbraw/zinc/12/85/23/1061128523.db2.gz NGNAEBDXMWVFTA-GFCCVEGCSA-N -1 3 362.473 2.838 20 5 FFBDHM COc1c([O-])ccc(CNc2ccc(N3C(=O)CCC3=O)cc2)c1[N+](=O)[O-] ZINC001462663640 1061712329 /nfs/dbraw/zinc/71/23/29/1061712329.db2.gz GOTUPQNZJIKNLH-UHFFFAOYSA-N -1 3 371.349 2.575 20 5 FFBDHM Cn1c(Cl)cnc1-c1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC001528568714 1061960586 /nfs/dbraw/zinc/96/05/86/1061960586.db2.gz XAAXXIVWKQEBMY-UHFFFAOYSA-N -1 3 353.747 2.951 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001472289009 1065004632 /nfs/dbraw/zinc/00/46/32/1065004632.db2.gz VWQREDUNLUIILK-HAQNSBGRSA-N -1 3 372.381 2.555 20 5 FFBDHM CCOC(=O)[C@H](CC)N(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C1CC1 ZINC001474456262 1065527794 /nfs/dbraw/zinc/52/77/94/1065527794.db2.gz MBTGVOGTXXQMMD-ZDUSSCGKSA-N -1 3 352.387 2.615 20 5 FFBDHM CCO[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C12CCCC2 ZINC001578336137 1078465383 /nfs/dbraw/zinc/46/53/83/1078465383.db2.gz ZIYLTMGKWAQQFC-KBPBESRZSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C12CCCC2 ZINC001578336137 1078465384 /nfs/dbraw/zinc/46/53/84/1078465384.db2.gz ZIYLTMGKWAQQFC-KBPBESRZSA-N -1 3 358.402 2.925 20 5 FFBDHM CN=[S@](C)(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001579383133 1078624341 /nfs/dbraw/zinc/62/43/41/1078624341.db2.gz OQLVSGXTLCAILS-AREMUKBSSA-N -1 3 373.398 2.605 20 5 FFBDHM CN=[S@](C)(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001579383133 1078624345 /nfs/dbraw/zinc/62/43/45/1078624345.db2.gz OQLVSGXTLCAILS-AREMUKBSSA-N -1 3 373.398 2.605 20 5 FFBDHM COC(=O)[C@@H](C)c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001579433878 1078629301 /nfs/dbraw/zinc/62/93/01/1078629301.db2.gz QXOIEUZAQBICAG-JTQLQIEISA-N -1 3 368.353 2.795 20 5 FFBDHM COC(=O)[C@@H](C)c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001579433878 1078629304 /nfs/dbraw/zinc/62/93/04/1078629304.db2.gz QXOIEUZAQBICAG-JTQLQIEISA-N -1 3 368.353 2.795 20 5 FFBDHM O=[N+]([O-])c1c2ccncc2ccc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001582802116 1079108330 /nfs/dbraw/zinc/10/83/30/1079108330.db2.gz JWRUHVQWAXOJHQ-UHFFFAOYSA-N -1 3 359.349 2.843 20 5 FFBDHM O=[N+]([O-])c1c2ccncc2ccc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001582802116 1079108335 /nfs/dbraw/zinc/10/83/35/1079108335.db2.gz JWRUHVQWAXOJHQ-UHFFFAOYSA-N -1 3 359.349 2.843 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@@H]1CSc2ccccc2O1 ZINC001582804098 1079109979 /nfs/dbraw/zinc/10/99/79/1079109979.db2.gz IUWKYXJOZAYZAY-LLVKDONJSA-N -1 3 370.394 2.740 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@@H]1CSc2ccccc2O1 ZINC001582804098 1079109985 /nfs/dbraw/zinc/10/99/85/1079109985.db2.gz IUWKYXJOZAYZAY-LLVKDONJSA-N -1 3 370.394 2.740 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001557315634 1075838193 /nfs/dbraw/zinc/83/81/93/1075838193.db2.gz ZZRJFIOEPTXFNF-UHFFFAOYSA-N -1 3 356.338 2.810 20 5 FFBDHM CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1c(CO)cnc(C)c1[O-] ZINC001561017325 1076320443 /nfs/dbraw/zinc/32/04/43/1076320443.db2.gz VSYLSVHXKFFCQA-UHFFFAOYSA-N -1 3 372.381 2.659 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c(F)cc1[N+](=O)[O-] ZINC001561093026 1076331555 /nfs/dbraw/zinc/33/15/55/1076331555.db2.gz DZCHVFZHZHZFMT-LBPRGKRZSA-N -1 3 354.359 2.991 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cnn(C(C)C)c2)c(F)cc1[N+](=O)[O-] ZINC001561243990 1076351058 /nfs/dbraw/zinc/35/10/58/1076351058.db2.gz JRXMOWQDFZXDLK-LLVKDONJSA-N -1 3 370.406 2.859 20 5 FFBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC001561258944 1076353185 /nfs/dbraw/zinc/35/31/85/1076353185.db2.gz LBTLDOBKFJRAAO-UWVGGRQHSA-N -1 3 350.487 2.917 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ncc(Cl)s2)c([N+](=O)[O-])s1 ZINC001561891348 1076439797 /nfs/dbraw/zinc/43/97/97/1076439797.db2.gz OTCHTHOLHULVPN-UHFFFAOYSA-N -1 3 353.834 2.553 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC001586218884 1079577199 /nfs/dbraw/zinc/57/71/99/1079577199.db2.gz OCJUQFGFWCVFPD-UHFFFAOYSA-N -1 3 356.382 2.852 20 5 FFBDHM CC(=O)N(C)c1cccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001588802266 1080202905 /nfs/dbraw/zinc/20/29/05/1080202905.db2.gz QLMFFXCQDYHBOB-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM CC(=O)N(C)c1cccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001588802266 1080202910 /nfs/dbraw/zinc/20/29/10/1080202910.db2.gz QLMFFXCQDYHBOB-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM CC(=O)Nc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001588878346 1080228904 /nfs/dbraw/zinc/22/89/04/1080228904.db2.gz FMSIOBLGSZGTMU-UHFFFAOYSA-N -1 3 353.342 2.785 20 5 FFBDHM CC(=O)Nc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001588878346 1080228912 /nfs/dbraw/zinc/22/89/12/1080228912.db2.gz FMSIOBLGSZGTMU-UHFFFAOYSA-N -1 3 353.342 2.785 20 5 FFBDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001588893907 1080242338 /nfs/dbraw/zinc/24/23/38/1080242338.db2.gz WGWRNYZXDLYJDJ-UHFFFAOYSA-N -1 3 366.337 2.538 20 5 FFBDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC001588893907 1080242347 /nfs/dbraw/zinc/24/23/47/1080242347.db2.gz WGWRNYZXDLYJDJ-UHFFFAOYSA-N -1 3 366.337 2.538 20 5 FFBDHM CC(C)CN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589628382 1080642162 /nfs/dbraw/zinc/64/21/62/1080642162.db2.gz AAPSTUYZHWVRNQ-UHFFFAOYSA-N -1 3 353.386 2.833 20 5 FFBDHM CC(C)CN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589628382 1080642170 /nfs/dbraw/zinc/64/21/70/1080642170.db2.gz AAPSTUYZHWVRNQ-UHFFFAOYSA-N -1 3 353.386 2.833 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589804525 1080762112 /nfs/dbraw/zinc/76/21/12/1080762112.db2.gz YOXJQDJGAZBHFK-MEBBXXQBSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589804525 1080762122 /nfs/dbraw/zinc/76/21/22/1080762122.db2.gz YOXJQDJGAZBHFK-MEBBXXQBSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001589876286 1080825224 /nfs/dbraw/zinc/82/52/24/1080825224.db2.gz ACQQDLIROHJRSL-GFCCVEGCSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001589876286 1080825233 /nfs/dbraw/zinc/82/52/33/1080825233.db2.gz ACQQDLIROHJRSL-GFCCVEGCSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@H](COc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589884734 1080831126 /nfs/dbraw/zinc/83/11/26/1080831126.db2.gz HHIMXVYFSRQNCA-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](COc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589884734 1080831130 /nfs/dbraw/zinc/83/11/30/1080831130.db2.gz HHIMXVYFSRQNCA-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](COc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589886960 1080833856 /nfs/dbraw/zinc/83/38/56/1080833856.db2.gz OFNANPCLGSKNOZ-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](COc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589886960 1080833859 /nfs/dbraw/zinc/83/38/59/1080833859.db2.gz OFNANPCLGSKNOZ-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC001589980505 1080919023 /nfs/dbraw/zinc/91/90/23/1080919023.db2.gz BPIKLVQINFNWRP-YGRLFVJLSA-N -1 3 352.354 2.752 20 5 FFBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC001589992007 1080926440 /nfs/dbraw/zinc/92/64/40/1080926440.db2.gz WJMAIVBOAZLMLM-INIZCTEOSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001589992007 1080926444 /nfs/dbraw/zinc/92/64/44/1080926444.db2.gz WJMAIVBOAZLMLM-INIZCTEOSA-N -1 3 374.788 2.748 20 5 FFBDHM CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC(F)(F)C1 ZINC001590068862 1080989112 /nfs/dbraw/zinc/98/91/12/1080989112.db2.gz DLNBEFKNJSNUPJ-UHFFFAOYSA-N -1 3 372.719 2.802 20 5 FFBDHM CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC(F)(F)C1 ZINC001590068862 1080989114 /nfs/dbraw/zinc/98/91/14/1080989114.db2.gz DLNBEFKNJSNUPJ-UHFFFAOYSA-N -1 3 372.719 2.802 20 5 FFBDHM CC1(C)C[C@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001590079102 1080993299 /nfs/dbraw/zinc/99/32/99/1080993299.db2.gz CIFUTNRLLMAKCT-SECBINFHSA-N -1 3 350.354 2.531 20 5 FFBDHM CC1(C)C[C@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001590079102 1080993301 /nfs/dbraw/zinc/99/33/01/1080993301.db2.gz CIFUTNRLLMAKCT-SECBINFHSA-N -1 3 350.354 2.531 20 5 FFBDHM C[C@@H]1CCC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC001590244338 1081117650 /nfs/dbraw/zinc/11/76/50/1081117650.db2.gz TWKXYUDWZLQBCJ-ZYHUDNBSSA-N -1 3 369.385 2.693 20 5 FFBDHM C[C@@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC001590244338 1081117656 /nfs/dbraw/zinc/11/76/56/1081117656.db2.gz TWKXYUDWZLQBCJ-ZYHUDNBSSA-N -1 3 369.385 2.693 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000093003172 250010856 /nfs/dbraw/zinc/01/08/56/250010856.db2.gz XQUPLFGLSIDGMR-UHFFFAOYSA-N -1 3 359.404 2.540 20 5 FFBDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000102413117 250110355 /nfs/dbraw/zinc/11/03/55/250110355.db2.gz ZIYRYUWJPZDFOG-UHFFFAOYSA-N -1 3 355.441 2.696 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000272365747 252021019 /nfs/dbraw/zinc/02/10/19/252021019.db2.gz CSPWXZNQCZPFMN-CYBMUJFWSA-N -1 3 354.384 2.552 20 5 FFBDHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000277326530 256185560 /nfs/dbraw/zinc/18/55/60/256185560.db2.gz OEBNHZKDYVMBHQ-QGZVFWFLSA-N -1 3 373.409 2.884 20 5 FFBDHM COc1cc(C[NH2+]C[C@H](Cc2ccccc2C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000277469924 256201756 /nfs/dbraw/zinc/20/17/56/256201756.db2.gz WADWBFBDNAQSLX-HNNXBMFYSA-N -1 3 374.393 2.651 20 5 FFBDHM COc1cc(CNC[C@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000278822261 256351892 /nfs/dbraw/zinc/35/18/92/256351892.db2.gz UDFWXWLLLVSFFU-HNNXBMFYSA-N -1 3 370.764 2.925 20 5 FFBDHM COc1cc(CNc2cc([C@@H]3CCCOC3)nn2C)c([N+](=O)[O-])cc1[O-] ZINC000280100541 256481476 /nfs/dbraw/zinc/48/14/76/256481476.db2.gz OHHNVMHHGCEASO-LLVKDONJSA-N -1 3 362.386 2.549 20 5 FFBDHM COc1cc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC000294240134 257579899 /nfs/dbraw/zinc/57/98/99/257579899.db2.gz VZKKOIYKDCSVAJ-UHFFFAOYSA-N -1 3 360.366 2.983 20 5 FFBDHM O=[N+]([O-])c1ccsc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000301942307 258076812 /nfs/dbraw/zinc/07/68/12/258076812.db2.gz XBYJZIZPNIHCIT-UHFFFAOYSA-N -1 3 373.481 2.665 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331953703 258207706 /nfs/dbraw/zinc/20/77/06/258207706.db2.gz PFBGRGVZFMOKDM-AWEZNQCLSA-N -1 3 367.471 2.507 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C12CC3CC(CC(C3)C1)C2 ZINC000032413734 506250377 /nfs/dbraw/zinc/25/03/77/506250377.db2.gz KLBXPHQSTDSBIV-UHFFFAOYSA-N -1 3 366.439 2.851 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000366728259 512161594 /nfs/dbraw/zinc/16/15/94/512161594.db2.gz HKJQEVJXIVMTOO-GUYCJALGSA-N -1 3 355.394 2.551 20 5 FFBDHM COc1cc(CNc2ccc3c(c2)CN(C)C(=O)N3)c([N+](=O)[O-])cc1[O-] ZINC000369001248 512177172 /nfs/dbraw/zinc/17/71/72/512177172.db2.gz LGRKKFYVJLDACX-UHFFFAOYSA-N -1 3 358.354 2.898 20 5 FFBDHM C[C@H]1CN(Cc2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)C[C@H](C)O1 ZINC000042010663 506582564 /nfs/dbraw/zinc/58/25/64/506582564.db2.gz LFBBADLYVRKLFX-UWVGGRQHSA-N -1 3 366.399 2.506 20 5 FFBDHM CC(C)(C)c1nnc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000067138613 506769577 /nfs/dbraw/zinc/76/95/77/506769577.db2.gz DVEUZUBJZMNSHW-UHFFFAOYSA-N -1 3 373.398 2.577 20 5 FFBDHM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000011918114 506803095 /nfs/dbraw/zinc/80/30/95/506803095.db2.gz CSOICTQDYIWCND-UHFFFAOYSA-N -1 3 357.322 2.989 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000067433596 506879132 /nfs/dbraw/zinc/87/91/32/506879132.db2.gz KRFDDWRWISJLIV-TZMCWYRMSA-N -1 3 354.334 2.707 20 5 FFBDHM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000028040270 507703488 /nfs/dbraw/zinc/70/34/88/507703488.db2.gz KVODRLSJPLLGGI-NSHDSACASA-N -1 3 363.395 2.593 20 5 FFBDHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000078762902 507904631 /nfs/dbraw/zinc/90/46/31/507904631.db2.gz RJTISUVHEASULI-INIZCTEOSA-N -1 3 363.414 2.852 20 5 FFBDHM C[C@H]1CN(CC2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000092586997 508084701 /nfs/dbraw/zinc/08/47/01/508084701.db2.gz KNKSHHSNXHKHEO-GJZGRUSLSA-N -1 3 363.458 2.622 20 5 FFBDHM O=C(Nc1ccc(N2CCCC2)cn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000075431256 508106686 /nfs/dbraw/zinc/10/66/86/508106686.db2.gz BISLLLBBEGWSLN-UHFFFAOYSA-N -1 3 352.354 2.719 20 5 FFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000116378102 508504402 /nfs/dbraw/zinc/50/44/02/508504402.db2.gz NCDJAJUMYRCIDY-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000122322128 508517572 /nfs/dbraw/zinc/51/75/72/508517572.db2.gz LTKQZVZEZGXCBG-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000128069586 508543460 /nfs/dbraw/zinc/54/34/60/508543460.db2.gz JHMLEOIGUZUYSD-UHFFFAOYSA-N -1 3 368.353 2.825 20 5 FFBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000128069586 508543462 /nfs/dbraw/zinc/54/34/62/508543462.db2.gz JHMLEOIGUZUYSD-UHFFFAOYSA-N -1 3 368.353 2.825 20 5 FFBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000128069586 508543466 /nfs/dbraw/zinc/54/34/66/508543466.db2.gz JHMLEOIGUZUYSD-UHFFFAOYSA-N -1 3 368.353 2.825 20 5 FFBDHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000123119533 508639742 /nfs/dbraw/zinc/63/97/42/508639742.db2.gz BWHPLMVAKVNVBH-UHFFFAOYSA-N -1 3 357.366 2.924 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000158733008 508746016 /nfs/dbraw/zinc/74/60/16/508746016.db2.gz BWKQZMAGBNGYLM-SNVBAGLBSA-N -1 3 353.400 2.590 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)cc1C ZINC000124163084 508790618 /nfs/dbraw/zinc/79/06/18/508790618.db2.gz SORMMPUGCKJNTN-CQSZACIVSA-N -1 3 358.460 2.535 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cs1 ZINC000150813370 508899085 /nfs/dbraw/zinc/89/90/85/508899085.db2.gz MUZLHLBLTSQLTG-SECBINFHSA-N -1 3 371.440 2.662 20 5 FFBDHM CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000124954285 508910375 /nfs/dbraw/zinc/91/03/75/508910375.db2.gz ZUMNFVQRSAHTBF-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM O=C(Nc1ccc2c(c1)NC(=O)CC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000150944404 508927948 /nfs/dbraw/zinc/92/79/48/508927948.db2.gz AANQEWWDWWHCQY-UHFFFAOYSA-N -1 3 351.322 2.608 20 5 FFBDHM Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000160260499 508961775 /nfs/dbraw/zinc/96/17/75/508961775.db2.gz PFQNHATVQXCAQE-UHFFFAOYSA-N -1 3 357.410 2.813 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000125681465 509015725 /nfs/dbraw/zinc/01/57/25/509015725.db2.gz JAORMMKKMNJRKL-WCQYABFASA-N -1 3 362.473 2.574 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000125808205 509032601 /nfs/dbraw/zinc/03/26/01/509032601.db2.gz UQKAJRSUBKSAOZ-UHFFFAOYSA-N -1 3 366.424 2.628 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000125808205 509032605 /nfs/dbraw/zinc/03/26/05/509032605.db2.gz UQKAJRSUBKSAOZ-UHFFFAOYSA-N -1 3 366.424 2.628 20 5 FFBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120784030 509064683 /nfs/dbraw/zinc/06/46/83/509064683.db2.gz RBHMAQCXUMVIEC-JTQLQIEISA-N -1 3 367.427 2.726 20 5 FFBDHM CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)sc1C(=O)OC ZINC000127122397 509168369 /nfs/dbraw/zinc/16/83/69/509168369.db2.gz YMSZTUAEZFFNSU-UHFFFAOYSA-N -1 3 353.331 2.792 20 5 FFBDHM O=c1[n-]nc(SCc2cc(Cl)ccc2[N+](=O)[O-])n1C[C@H]1CCCO1 ZINC000266831297 509216398 /nfs/dbraw/zinc/21/63/98/509216398.db2.gz HPFAFRPTPBOGKI-LLVKDONJSA-N -1 3 370.818 2.604 20 5 FFBDHM CC(=O)c1sc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)nc1-c1ccccc1 ZINC000179505555 509484672 /nfs/dbraw/zinc/48/46/72/509484672.db2.gz NQSFBVGFQOYQES-UHFFFAOYSA-N -1 3 371.378 2.907 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000173382728 509564702 /nfs/dbraw/zinc/56/47/02/509564702.db2.gz PSCWHSGANCZNNJ-KGLIPLIRSA-N -1 3 354.428 2.529 20 5 FFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000267610184 509565498 /nfs/dbraw/zinc/56/54/98/509565498.db2.gz HJSVVKRFYAZIGR-JTQLQIEISA-N -1 3 371.440 2.546 20 5 FFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183059319 509570786 /nfs/dbraw/zinc/57/07/86/509570786.db2.gz RVJKXKNGIUIPIH-UHFFFAOYSA-N -1 3 367.243 2.630 20 5 FFBDHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173598111 509668278 /nfs/dbraw/zinc/66/82/78/509668278.db2.gz HEFXDHLNKYMVCU-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)O1 ZINC000183308284 509707080 /nfs/dbraw/zinc/70/70/80/509707080.db2.gz RSZIBBVKJKFSEJ-GFCCVEGCSA-N -1 3 362.835 2.873 20 5 FFBDHM Cc1c([C@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cnn1C ZINC000183475295 509812731 /nfs/dbraw/zinc/81/27/31/509812731.db2.gz GFSGOANNJSIMBD-VIFPVBQESA-N -1 3 372.834 2.638 20 5 FFBDHM CCN(CC)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186763074 509891323 /nfs/dbraw/zinc/89/13/23/509891323.db2.gz UBQFQDXJRIOQIQ-MRXNPFEDSA-N -1 3 358.398 2.508 20 5 FFBDHM O=C([N-]c1nnc(-c2ccccn2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000193431402 509913177 /nfs/dbraw/zinc/91/31/77/509913177.db2.gz FXIUYHBQXVNCLV-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM O=C(Nc1nnc(C=Cc2ccco2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000255674397 509933932 /nfs/dbraw/zinc/93/39/32/509933932.db2.gz HZLLWKXNGMYFQY-ARJAWSKDSA-N -1 3 359.323 2.563 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nccn2CC(C)C)c1[N+](=O)[O-] ZINC000190107569 509940559 /nfs/dbraw/zinc/94/05/59/509940559.db2.gz IRUHCVIZWJKBHL-UHFFFAOYSA-N -1 3 366.443 2.543 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000190110927 509943241 /nfs/dbraw/zinc/94/32/41/509943241.db2.gz VKLUSRGOOAQCSS-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000186984105 509987788 /nfs/dbraw/zinc/98/77/88/509987788.db2.gz PIVUTVWVZZOADA-UHFFFAOYSA-N -1 3 370.390 2.530 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000269014424 510192492 /nfs/dbraw/zinc/19/24/92/510192492.db2.gz TUHVHSYKXDYVCF-UHFFFAOYSA-N -1 3 362.289 2.812 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1C ZINC000245990995 510239519 /nfs/dbraw/zinc/23/95/19/510239519.db2.gz ILSBTGAHIQMZBX-BMGDILEWSA-N -1 3 358.419 2.828 20 5 FFBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C)s1 ZINC000270687867 510951959 /nfs/dbraw/zinc/95/19/59/510951959.db2.gz VALRFKGITAPXFT-UHFFFAOYSA-N -1 3 354.413 2.746 20 5 FFBDHM COc1cc(CNCc2ccc(NC(=O)N(C)C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000279946455 511276793 /nfs/dbraw/zinc/27/67/93/511276793.db2.gz YGDJLKPMHOBZGC-UHFFFAOYSA-N -1 3 374.397 2.692 20 5 FFBDHM C[C@H]1[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291938653 511398363 /nfs/dbraw/zinc/39/83/63/511398363.db2.gz UEVLNQCSIFQCIF-XJKSGUPXSA-N -1 3 355.394 2.693 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000349863002 511675790 /nfs/dbraw/zinc/67/57/90/511675790.db2.gz BZTJUYDHKHAPHF-UHFFFAOYSA-N -1 3 360.351 2.683 20 5 FFBDHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000297039289 511996294 /nfs/dbraw/zinc/99/62/94/511996294.db2.gz LMUYYYDNKMYTNR-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C1CCCC1 ZINC000382823474 512878673 /nfs/dbraw/zinc/87/86/73/512878673.db2.gz RFPCXNJLJFJRLI-AWEZNQCLSA-N -1 3 370.427 2.629 20 5 FFBDHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439521468 513132547 /nfs/dbraw/zinc/13/25/47/513132547.db2.gz BHJRRSIIRFSOQJ-UHFFFAOYSA-N -1 3 358.335 2.777 20 5 FFBDHM CCOc1cc(C(=O)[N-]c2nnc3cc(C)ccn32)c([N+](=O)[O-])cc1OC ZINC000446632438 513299898 /nfs/dbraw/zinc/29/98/98/513299898.db2.gz BGIHJIMUTIQCMW-UHFFFAOYSA-N -1 3 371.353 2.606 20 5 FFBDHM Cc1c(Br)ccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1F ZINC000447638904 513528291 /nfs/dbraw/zinc/52/82/91/513528291.db2.gz GVXQDDINYZMYEG-UHFFFAOYSA-N -1 3 357.139 2.791 20 5 FFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000430142319 513566512 /nfs/dbraw/zinc/56/65/12/513566512.db2.gz UIFUWVFFSUAXIH-UHFFFAOYSA-N -1 3 361.155 2.679 20 5 FFBDHM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000447865923 513605000 /nfs/dbraw/zinc/60/50/00/513605000.db2.gz NGKDTVSTDBUEIJ-UHFFFAOYSA-N -1 3 357.326 2.985 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ncccc2OC(C)C)cc([N+](=O)[O-])c1 ZINC000430602907 513702747 /nfs/dbraw/zinc/70/27/47/513702747.db2.gz XCKGWGYMMQBMCF-UHFFFAOYSA-N -1 3 359.338 2.816 20 5 FFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000416577591 513844008 /nfs/dbraw/zinc/84/40/08/513844008.db2.gz BERDREMSHHMHAP-APPZFPTMSA-N -1 3 370.374 2.786 20 5 FFBDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000416590905 513853337 /nfs/dbraw/zinc/85/33/37/513853337.db2.gz KEAIAPSKFHSQEJ-LRDDRELGSA-N -1 3 356.444 2.694 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436638823 513926202 /nfs/dbraw/zinc/92/62/02/513926202.db2.gz LOKKMGFKSBDXBY-WMLDXEAASA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000451830952 514010904 /nfs/dbraw/zinc/01/09/04/514010904.db2.gz YZKWXGBHTRNVCZ-ZFWWWQNUSA-N -1 3 356.444 2.633 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000443932578 514073788 /nfs/dbraw/zinc/07/37/88/514073788.db2.gz ZIHCZSAVXXQLKI-UHFFFAOYSA-N -1 3 367.452 2.717 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c(C)cc1[N+](=O)[O-] ZINC000414451796 514124936 /nfs/dbraw/zinc/12/49/36/514124936.db2.gz JEVZJRVLOXOZNT-UHFFFAOYSA-N -1 3 352.334 2.975 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427400253 514204716 /nfs/dbraw/zinc/20/47/16/514204716.db2.gz SRNYTVWGFTWDCH-UHFFFAOYSA-N -1 3 363.326 2.583 20 5 FFBDHM COc1ccc(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(F)c1 ZINC000444632841 514278638 /nfs/dbraw/zinc/27/86/38/514278638.db2.gz ICBFAOMNOZRNAC-UHFFFAOYSA-N -1 3 370.340 2.736 20 5 FFBDHM O=C(CCCc1ccc([O-])c(F)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642006 514281339 /nfs/dbraw/zinc/28/13/39/514281339.db2.gz WEJQWDRRNSNFKC-UHFFFAOYSA-N -1 3 372.356 2.955 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCCN1C1CCCC1 ZINC000438557202 514403795 /nfs/dbraw/zinc/40/37/95/514403795.db2.gz JWWOVJYMBATNIT-QGZVFWFLSA-N -1 3 369.425 2.752 20 5 FFBDHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445178088 514437790 /nfs/dbraw/zinc/43/77/90/514437790.db2.gz DFJBGUIASLYJFH-UHFFFAOYSA-N -1 3 374.422 2.809 20 5 FFBDHM CC(C)(C)c1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)no1 ZINC000439145592 514500927 /nfs/dbraw/zinc/50/09/27/514500927.db2.gz FLJXTKWDJLVYGN-UHFFFAOYSA-N -1 3 355.354 2.945 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1[N+](=O)[O-] ZINC000488829386 514600154 /nfs/dbraw/zinc/60/01/54/514600154.db2.gz YEBRGZGCELVNIE-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484261599 514608253 /nfs/dbraw/zinc/60/82/53/514608253.db2.gz PRCBBHSDGGQQGG-UHFFFAOYSA-N -1 3 358.354 2.851 20 5 FFBDHM COc1cc(C(=O)[N-]c2cc(-c3ccccc3)on2)cc([N+](=O)[O-])c1OC ZINC000479839328 514741507 /nfs/dbraw/zinc/74/15/07/514741507.db2.gz RHDXIAPUWKMRKU-UHFFFAOYSA-N -1 3 369.333 2.941 20 5 FFBDHM Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000508690191 514866226 /nfs/dbraw/zinc/86/62/26/514866226.db2.gz QALTUEAHFNXFMI-UHFFFAOYSA-N -1 3 373.756 2.517 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000467049583 514877677 /nfs/dbraw/zinc/87/76/77/514877677.db2.gz XTQJRVWMZOHKMM-UHFFFAOYSA-N -1 3 352.437 2.658 20 5 FFBDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467056152 514879107 /nfs/dbraw/zinc/87/91/07/514879107.db2.gz GFPBUYIJMUEDMQ-VIFPVBQESA-N -1 3 355.441 2.962 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nnc(C(F)(F)F)[n-]2)c(OC(F)F)c1 ZINC000480305280 514915479 /nfs/dbraw/zinc/91/54/79/514915479.db2.gz DPDNXHXPWDVEBJ-UHFFFAOYSA-N -1 3 353.207 2.945 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2n[n-]c(C(F)(F)F)n2)c(OC(F)F)c1 ZINC000480305280 514915491 /nfs/dbraw/zinc/91/54/91/514915491.db2.gz DPDNXHXPWDVEBJ-UHFFFAOYSA-N -1 3 353.207 2.945 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)c(OC(F)F)c1 ZINC000480305280 514915501 /nfs/dbraw/zinc/91/55/01/514915501.db2.gz DPDNXHXPWDVEBJ-UHFFFAOYSA-N -1 3 353.207 2.945 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)cc1[N+](=O)[O-] ZINC000467416153 515000026 /nfs/dbraw/zinc/00/00/26/515000026.db2.gz HMDJBXHUEGDVRA-LBPRGKRZSA-N -1 3 368.436 2.994 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2sc3nccn3c2C)cc([N+](=O)[O-])c1 ZINC000503422190 515027904 /nfs/dbraw/zinc/02/79/04/515027904.db2.gz DRGQTQDVMRSTOP-UHFFFAOYSA-N -1 3 360.351 2.651 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c1C ZINC000480871367 515119139 /nfs/dbraw/zinc/11/91/39/515119139.db2.gz UTMZKPBUOPXYDL-KRWDZBQOSA-N -1 3 370.471 2.821 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cc(F)c(F)c(F)c1 ZINC000503735161 515131457 /nfs/dbraw/zinc/13/14/57/515131457.db2.gz ZCNCNZOCMKSLMB-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM O=C([N-]c1nnc2ccccn21)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000485802130 515193493 /nfs/dbraw/zinc/19/34/93/515193493.db2.gz ZSIFPLKDBCBQFF-UHFFFAOYSA-N -1 3 360.333 2.952 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccc(F)cc1 ZINC000462713062 515208245 /nfs/dbraw/zinc/20/82/45/515208245.db2.gz XAAGLNZWSUGPJP-SNVBAGLBSA-N -1 3 372.349 2.619 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000490445903 515215319 /nfs/dbraw/zinc/21/53/19/515215319.db2.gz OJYPFCVHUMPQMV-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM Cc1nc(C)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000490445439 515215692 /nfs/dbraw/zinc/21/56/92/515215692.db2.gz DSHFTQHIUJVGFQ-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccccc2F)c(F)c1 ZINC000481225857 515252621 /nfs/dbraw/zinc/25/26/21/515252621.db2.gz JEIUFSJVPLCYQA-UHFFFAOYSA-N -1 3 356.350 2.784 20 5 FFBDHM Cc1ccccc1-c1cc(=NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[nH][n-]1 ZINC000490665932 515277345 /nfs/dbraw/zinc/27/73/45/515277345.db2.gz CRJWNYDYUMHROS-UHFFFAOYSA-N -1 3 366.333 2.696 20 5 FFBDHM CCCN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000481418456 515322015 /nfs/dbraw/zinc/32/20/15/515322015.db2.gz YKIJBTOSKDXYJN-UHFFFAOYSA-N -1 3 360.345 2.711 20 5 FFBDHM CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509810694 515333695 /nfs/dbraw/zinc/33/36/95/515333695.db2.gz ZFHZILOWLFMJKK-UHFFFAOYSA-N -1 3 350.396 2.780 20 5 FFBDHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000481510887 515355368 /nfs/dbraw/zinc/35/53/68/515355368.db2.gz RKDHWLCIQCSQCU-NSHDSACASA-N -1 3 364.851 2.714 20 5 FFBDHM CC[C@@H](c1nnc([N-]C(=O)c2cc([N+](=O)[O-])nn2C)s1)c1ccccc1 ZINC000481887740 515500972 /nfs/dbraw/zinc/50/09/72/515500972.db2.gz MLIFVXVJISCCPH-LLVKDONJSA-N -1 3 372.410 2.974 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)CC1 ZINC000469003829 515624167 /nfs/dbraw/zinc/62/41/67/515624167.db2.gz QVIOUMNKQZMUQN-RYUDHWBXSA-N -1 3 370.427 2.629 20 5 FFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)c1F ZINC000478066364 515689242 /nfs/dbraw/zinc/68/92/42/515689242.db2.gz WPWALOSCWOHBPL-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM CCc1cc2c([n-]c(CC(=O)NCc3ccc([N+](=O)[O-])cc3)nc2=O)s1 ZINC000469150653 515692669 /nfs/dbraw/zinc/69/26/69/515692669.db2.gz ZRYPWOSEWZCURM-UHFFFAOYSA-N -1 3 372.406 2.726 20 5 FFBDHM CN1CCN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2cc(F)ccc21 ZINC000464299926 515774340 /nfs/dbraw/zinc/77/43/40/515774340.db2.gz WGYVHIIRNDHVSF-UHFFFAOYSA-N -1 3 355.329 2.707 20 5 FFBDHM C[C@H]1CCCC[C@H]1OCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000500574304 515776658 /nfs/dbraw/zinc/77/66/58/515776658.db2.gz MXYCFVRYNFYRPI-BLLLJJGKSA-N -1 3 358.398 2.941 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473855171 515777023 /nfs/dbraw/zinc/77/70/23/515777023.db2.gz HYCOAURUXFIPNQ-IINYFYTJSA-N -1 3 362.411 2.711 20 5 FFBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473912810 515798991 /nfs/dbraw/zinc/79/89/91/515798991.db2.gz RSCBYPHINLUSTQ-OAHLLOKOSA-N -1 3 373.450 2.523 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1 ZINC000506250506 515826599 /nfs/dbraw/zinc/82/65/99/515826599.db2.gz SSPGCHKCOYZART-LLVKDONJSA-N -1 3 370.814 2.994 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2cscc2C)cc1[N+](=O)[O-] ZINC000487400140 515848957 /nfs/dbraw/zinc/84/89/57/515848957.db2.gz CSEGRMAELIELBW-UHFFFAOYSA-N -1 3 360.388 2.591 20 5 FFBDHM CN(C)Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000500782619 515857754 /nfs/dbraw/zinc/85/77/54/515857754.db2.gz WJQLIGYEVPGWQW-UHFFFAOYSA-N -1 3 350.762 2.663 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000474303631 515981280 /nfs/dbraw/zinc/98/12/80/515981280.db2.gz PQDHRPQLCZYFKF-GFCCVEGCSA-N -1 3 368.798 2.969 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000479132227 516069822 /nfs/dbraw/zinc/06/98/22/516069822.db2.gz ISLBPIPAVBJGCI-GFCCVEGCSA-N -1 3 352.334 2.913 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000507466165 516218354 /nfs/dbraw/zinc/21/83/54/516218354.db2.gz BKTDYYZWWBAXAH-ZFWWWQNUSA-N -1 3 356.444 2.777 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000507573138 516247944 /nfs/dbraw/zinc/24/79/44/516247944.db2.gz YOPDOXYYSOSVBH-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000488798537 516309951 /nfs/dbraw/zinc/30/99/51/516309951.db2.gz UFTJNGCOXBKJCI-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)cc1C ZINC000497558470 516326394 /nfs/dbraw/zinc/32/63/94/516326394.db2.gz QKUJXNSXZFCGQP-LSDHHAIUSA-N -1 3 369.487 2.753 20 5 FFBDHM CCOc1cc(C(=O)Nc2cc(OC)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000531577837 516538021 /nfs/dbraw/zinc/53/80/21/516538021.db2.gz AZHKYMTXFQWFDL-UHFFFAOYSA-N -1 3 362.338 2.969 20 5 FFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000536156352 516656020 /nfs/dbraw/zinc/65/60/20/516656020.db2.gz VZZBNTIVYWBRRT-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000536193270 516670310 /nfs/dbraw/zinc/67/03/10/516670310.db2.gz PMVDQQQGJUQLFD-UHFFFAOYSA-N -1 3 362.367 2.589 20 5 FFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000518728941 516753040 /nfs/dbraw/zinc/75/30/40/516753040.db2.gz PPXMEMZARUOZIY-UHFFFAOYSA-N -1 3 354.359 2.611 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2COc3c(C)cccc3C2)cc1[N+](=O)[O-] ZINC000558479800 516767446 /nfs/dbraw/zinc/76/74/46/516767446.db2.gz VPXOVIAACLHXAO-GFCCVEGCSA-N -1 3 368.436 2.555 20 5 FFBDHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000524746913 516814944 /nfs/dbraw/zinc/81/49/44/516814944.db2.gz RAHPWKKFONWEBE-UHFFFAOYSA-N -1 3 373.365 2.832 20 5 FFBDHM CCOC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000555413805 516916586 /nfs/dbraw/zinc/91/65/86/516916586.db2.gz JIMOBHMCSSXIHX-UHFFFAOYSA-N -1 3 362.835 2.876 20 5 FFBDHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000541308965 516979609 /nfs/dbraw/zinc/97/96/09/516979609.db2.gz UJFVWWFWJPVAAL-QWRGUYRKSA-N -1 3 362.835 2.732 20 5 FFBDHM Cc1cc(=NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)[nH]n1[C@@H](C)C1CC1 ZINC000541456836 517056218 /nfs/dbraw/zinc/05/62/18/517056218.db2.gz SHHMWGHTHLYVMX-JTQLQIEISA-N -1 3 354.370 2.621 20 5 FFBDHM Cc1cc(=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)[nH]n1[C@@H](C)C1CC1 ZINC000541456836 517056228 /nfs/dbraw/zinc/05/62/28/517056228.db2.gz SHHMWGHTHLYVMX-JTQLQIEISA-N -1 3 354.370 2.621 20 5 FFBDHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000537183805 517072455 /nfs/dbraw/zinc/07/24/55/517072455.db2.gz QFHXRBMRRSIMFY-AQUOVQTQSA-N -1 3 362.835 2.586 20 5 FFBDHM O=C([N-]c1nc(-c2c(F)cccc2F)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000559375859 517221710 /nfs/dbraw/zinc/22/17/10/517221710.db2.gz BUNCUQHYQFNYHA-UHFFFAOYSA-N -1 3 351.294 2.972 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)c2ccccc2C)c1C ZINC000533095758 517291999 /nfs/dbraw/zinc/29/19/99/517291999.db2.gz GHNVGLDXLMOROO-HNNXBMFYSA-N -1 3 364.423 2.532 20 5 FFBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c[n-]c2ccccc2c1=O ZINC000552716287 517362959 /nfs/dbraw/zinc/36/29/59/517362959.db2.gz IDWOSODOBGMPHK-UHFFFAOYSA-N -1 3 351.362 2.751 20 5 FFBDHM C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000515487324 517376081 /nfs/dbraw/zinc/37/60/81/517376081.db2.gz UNWUHDYRBQKSDY-PWSUYJOCSA-N -1 3 353.806 2.653 20 5 FFBDHM CSc1nnc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000542354863 517518187 /nfs/dbraw/zinc/51/81/87/517518187.db2.gz OHPWEZQZUFLAAC-UHFFFAOYSA-N -1 3 359.820 2.819 20 5 FFBDHM CSc1n[n-]c(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000542354863 517518193 /nfs/dbraw/zinc/51/81/93/517518193.db2.gz OHPWEZQZUFLAAC-UHFFFAOYSA-N -1 3 359.820 2.819 20 5 FFBDHM CSc1nc(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000542354863 517518199 /nfs/dbraw/zinc/51/81/99/517518199.db2.gz OHPWEZQZUFLAAC-UHFFFAOYSA-N -1 3 359.820 2.819 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000549512807 517594526 /nfs/dbraw/zinc/59/45/26/517594526.db2.gz JPTIDXBUXVWVGS-UHFFFAOYSA-N -1 3 360.407 2.846 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSCC(F)(F)F)c1C ZINC000538759174 517767711 /nfs/dbraw/zinc/76/77/11/517767711.db2.gz JBMWLHPZPKYOIJ-UHFFFAOYSA-N -1 3 372.390 2.785 20 5 FFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc12)c1c[n-]nc1-c1ccc(F)cc1 ZINC000556953621 517771946 /nfs/dbraw/zinc/77/19/46/517771946.db2.gz KHCMFRPBHHFEHU-UHFFFAOYSA-N -1 3 366.312 2.675 20 5 FFBDHM COc1ccc(OCCN(C)Cc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000563285170 517794092 /nfs/dbraw/zinc/79/40/92/517794092.db2.gz YDFFCIYDOCZHGI-UHFFFAOYSA-N -1 3 360.366 2.812 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c1 ZINC000553882422 517949703 /nfs/dbraw/zinc/94/97/03/517949703.db2.gz HNTILSGLUZSKMJ-BDAKNGLRSA-N -1 3 367.196 2.526 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000547043866 517966164 /nfs/dbraw/zinc/96/61/64/517966164.db2.gz BMRMJZGZPUDSKV-UHFFFAOYSA-N -1 3 374.378 2.992 20 5 FFBDHM CCCN(CCC)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000530868255 518022189 /nfs/dbraw/zinc/02/21/89/518022189.db2.gz FXOSQISXOHCXSD-UHFFFAOYSA-N -1 3 367.374 2.975 20 5 FFBDHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000539413894 518035012 /nfs/dbraw/zinc/03/50/12/518035012.db2.gz FJCFFSJLPFIIFE-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535158577 518159785 /nfs/dbraw/zinc/15/97/85/518159785.db2.gz CTHFVLFJXNPKGR-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC ZINC000572507912 518224446 /nfs/dbraw/zinc/22/44/46/518224446.db2.gz ICSVVNMPYNKCDK-UHFFFAOYSA-N -1 3 358.397 2.821 20 5 FFBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000572564501 518247642 /nfs/dbraw/zinc/24/76/42/518247642.db2.gz LIZYOCPITAIIHR-AWEZNQCLSA-N -1 3 370.452 2.694 20 5 FFBDHM CCN(C)C(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000573034538 518473882 /nfs/dbraw/zinc/47/38/82/518473882.db2.gz ZXPHYLMXLFOWTK-UHFFFAOYSA-N -1 3 367.365 2.815 20 5 FFBDHM O=C([O-])c1ccnc(NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000567980176 518812045 /nfs/dbraw/zinc/81/20/45/518812045.db2.gz QKUHXMNGGQHSHE-UHFFFAOYSA-N -1 3 370.409 2.807 20 5 FFBDHM Cc1c(C(=O)[O-])cnn1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000580084862 519000946 /nfs/dbraw/zinc/00/09/46/519000946.db2.gz CRSRBNBAEBQVDX-UHFFFAOYSA-N -1 3 374.397 2.514 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C(C)(C)C(=O)c1ccccc1 ZINC000590587666 519276437 /nfs/dbraw/zinc/27/64/37/519276437.db2.gz JFTLRLBVSMGJLR-UHFFFAOYSA-N -1 3 362.407 2.843 20 5 FFBDHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590590378 519278327 /nfs/dbraw/zinc/27/83/27/519278327.db2.gz WGASHRZKPJFTRG-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM C[C@@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc2NC1=O ZINC000583506631 519285552 /nfs/dbraw/zinc/28/55/52/519285552.db2.gz RPFFVBTXCIZDNB-SNVBAGLBSA-N -1 3 365.349 2.706 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000577981970 519354796 /nfs/dbraw/zinc/35/47/96/519354796.db2.gz CZPUHDIQEVECJA-UHFFFAOYSA-N -1 3 364.365 2.510 20 5 FFBDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000581201010 519574511 /nfs/dbraw/zinc/57/45/11/519574511.db2.gz USOZBTGXNXCELS-QGZVFWFLSA-N -1 3 372.406 2.856 20 5 FFBDHM CC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC=CC1 ZINC000594474152 519984742 /nfs/dbraw/zinc/98/47/42/519984742.db2.gz OOYMCWCWGQFSOP-UHFFFAOYSA-N -1 3 361.217 2.744 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594486509 519997168 /nfs/dbraw/zinc/99/71/68/519997168.db2.gz GZAPQLPSMSUSJY-DGCLKSJQSA-N -1 3 362.835 2.874 20 5 FFBDHM CC(C)SCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594779404 520154497 /nfs/dbraw/zinc/15/44/97/520154497.db2.gz QSVJJCGWUOYNRE-UHFFFAOYSA-N -1 3 355.441 2.563 20 5 FFBDHM CCc1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000592052605 520155465 /nfs/dbraw/zinc/15/54/65/520155465.db2.gz RCTZULDJJDGXKC-GFCCVEGCSA-N -1 3 352.334 2.776 20 5 FFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000594856562 520192053 /nfs/dbraw/zinc/19/20/53/520192053.db2.gz HWCQDPXHFFXIRH-JTQLQIEISA-N -1 3 374.287 2.937 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000604028292 520430022 /nfs/dbraw/zinc/43/00/22/520430022.db2.gz QIAKAVYKIGWOCA-UHFFFAOYSA-N -1 3 352.387 2.990 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000595364179 520431576 /nfs/dbraw/zinc/43/15/76/520431576.db2.gz DYHRATZSENQSJY-ZDUSSCGKSA-N -1 3 362.835 2.732 20 5 FFBDHM COc1cc(C(=O)[N-]c2ncc(C(C)=O)s2)c([N+](=O)[O-])cc1OC ZINC000609836049 520450730 /nfs/dbraw/zinc/45/07/30/520450730.db2.gz IBVPVJPXQGYYCP-UHFFFAOYSA-N -1 3 351.340 2.523 20 5 FFBDHM C[C@H](Oc1ccc(F)cc1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000604455718 520566775 /nfs/dbraw/zinc/56/67/75/520566775.db2.gz PARIGLQDAQCWSP-NSHDSACASA-N -1 3 370.340 2.952 20 5 FFBDHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610265756 520611589 /nfs/dbraw/zinc/61/15/89/520611589.db2.gz ZMLWYTXUBGAECH-JKSUJKDBSA-N -1 3 350.371 2.742 20 5 FFBDHM CC(C)(C)OC(=O)C(C)(C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000592945122 520655427 /nfs/dbraw/zinc/65/54/27/520655427.db2.gz BNIFBRBPKCQMPH-UHFFFAOYSA-N -1 3 374.397 2.713 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cs1 ZINC000598603317 520737995 /nfs/dbraw/zinc/73/79/95/520737995.db2.gz ZPXPDMLKFRXCBP-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593113658 520753831 /nfs/dbraw/zinc/75/38/31/520753831.db2.gz ZSTLVKBXGKHAEK-UHFFFAOYSA-N -1 3 365.317 2.642 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000618180356 520921017 /nfs/dbraw/zinc/92/10/17/520921017.db2.gz XNJLIWUAVSIBKL-GFCCVEGCSA-N -1 3 368.436 2.506 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c1 ZINC000611033970 520955916 /nfs/dbraw/zinc/95/59/16/520955916.db2.gz VHCJLZCQHHRXTB-AWEZNQCLSA-N -1 3 368.798 2.801 20 5 FFBDHM O=[N+]([O-])c1ccc2[nH]nc(NC([O-])=C(C[C@@H]3CCCO3)C(F)(F)F)c2c1 ZINC000593560665 521078440 /nfs/dbraw/zinc/07/84/40/521078440.db2.gz WBNFYRAERDSOML-ONGXEEELSA-N -1 3 372.303 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)nc1 ZINC000593588920 521094524 /nfs/dbraw/zinc/09/45/24/521094524.db2.gz OHJJUGQUFXAMOM-LSDHHAIUSA-N -1 3 361.423 2.680 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c1[N+](=O)[O-] ZINC000593633018 521121175 /nfs/dbraw/zinc/12/11/75/521121175.db2.gz ZTICQMGKBVOAIW-OAHLLOKOSA-N -1 3 368.455 2.695 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000599463901 521240033 /nfs/dbraw/zinc/24/00/33/521240033.db2.gz GTSLYAJAGMVURO-ZDUSSCGKSA-N -1 3 373.862 2.543 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000612137752 521501478 /nfs/dbraw/zinc/50/14/78/521501478.db2.gz DGQBJXSPMCHYRA-UHFFFAOYSA-N -1 3 364.370 2.850 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000619473323 521585966 /nfs/dbraw/zinc/58/59/66/521585966.db2.gz DGRLXMQGFIFDGV-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nc(C)cs1 ZINC000619482140 521591872 /nfs/dbraw/zinc/59/18/72/521591872.db2.gz UNCVCJMTBCGENV-JTQLQIEISA-N -1 3 371.440 2.798 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nccs1 ZINC000619486117 521592488 /nfs/dbraw/zinc/59/24/88/521592488.db2.gz POFLPQLANBEJNY-AWEZNQCLSA-N -1 3 371.440 2.664 20 5 FFBDHM C[C@]1(c2ccccc2)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736227450 598830155 /nfs/dbraw/zinc/83/01/55/598830155.db2.gz DKEJEXCZLSUQHB-SFHVURJKSA-N -1 3 365.397 2.728 20 5 FFBDHM C[C@]1(c2ccccc2)CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736227450 598830157 /nfs/dbraw/zinc/83/01/57/598830157.db2.gz DKEJEXCZLSUQHB-SFHVURJKSA-N -1 3 365.397 2.728 20 5 FFBDHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821854633 599044360 /nfs/dbraw/zinc/04/43/60/599044360.db2.gz PTZNVIQZOAOKJI-OAHLLOKOSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821854633 599044362 /nfs/dbraw/zinc/04/43/62/599044362.db2.gz PTZNVIQZOAOKJI-OAHLLOKOSA-N -1 3 368.353 2.719 20 5 FFBDHM Cc1ccccc1O[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822366858 599065830 /nfs/dbraw/zinc/06/58/30/599065830.db2.gz WGKFWLVGSJMREE-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1ccccc1O[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822366858 599065831 /nfs/dbraw/zinc/06/58/31/599065831.db2.gz WGKFWLVGSJMREE-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820280362 599080358 /nfs/dbraw/zinc/08/03/58/599080358.db2.gz DUJRWXAPMFCCAU-JTQLQIEISA-N -1 3 357.399 2.763 20 5 FFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820280362 599080361 /nfs/dbraw/zinc/08/03/61/599080361.db2.gz DUJRWXAPMFCCAU-JTQLQIEISA-N -1 3 357.399 2.763 20 5 FFBDHM CCO[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCCC2 ZINC000821360027 599100930 /nfs/dbraw/zinc/10/09/30/599100930.db2.gz PTLCMGVODOLYLV-CABCVRRESA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCCC2 ZINC000821360027 599100933 /nfs/dbraw/zinc/10/09/33/599100933.db2.gz PTLCMGVODOLYLV-CABCVRRESA-N -1 3 358.402 2.925 20 5 FFBDHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000737948362 599111099 /nfs/dbraw/zinc/11/10/99/599111099.db2.gz UBHOVYNAVQOOQR-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccccc1[N+](=O)[O-] ZINC000737948362 599111100 /nfs/dbraw/zinc/11/11/00/599111100.db2.gz UBHOVYNAVQOOQR-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000737114105 599282797 /nfs/dbraw/zinc/28/27/97/599282797.db2.gz DHZZOODDXXEIAQ-UHFFFAOYSA-N -1 3 355.354 2.979 20 5 FFBDHM CCCOc1cccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821139328 607329753 /nfs/dbraw/zinc/32/97/53/607329753.db2.gz UBJFWLOXWIMWNC-UHFFFAOYSA-N -1 3 369.385 2.613 20 5 FFBDHM CCCOc1cccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821139328 607329754 /nfs/dbraw/zinc/32/97/54/607329754.db2.gz UBJFWLOXWIMWNC-UHFFFAOYSA-N -1 3 369.385 2.613 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738368650 598758071 /nfs/dbraw/zinc/75/80/71/598758071.db2.gz HEUIZBIKOOAQFD-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738368650 598758073 /nfs/dbraw/zinc/75/80/73/598758073.db2.gz HEUIZBIKOOAQFD-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2OCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738371864 598817566 /nfs/dbraw/zinc/81/75/66/598817566.db2.gz YIYNQLKJYJPBGF-INIZCTEOSA-N -1 3 352.354 2.501 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2OCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738371864 598817567 /nfs/dbraw/zinc/81/75/67/598817567.db2.gz YIYNQLKJYJPBGF-INIZCTEOSA-N -1 3 352.354 2.501 20 5 FFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736817768 599372902 /nfs/dbraw/zinc/37/29/02/599372902.db2.gz JHUYLCIDLFTAKW-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000736817768 599372905 /nfs/dbraw/zinc/37/29/05/599372905.db2.gz JHUYLCIDLFTAKW-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737421472 599526878 /nfs/dbraw/zinc/52/68/78/599526878.db2.gz IYRVFZDCMDRQPU-CHWSQXEVSA-N -1 3 365.397 2.861 20 5 FFBDHM Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737421472 599526879 /nfs/dbraw/zinc/52/68/79/599526879.db2.gz IYRVFZDCMDRQPU-CHWSQXEVSA-N -1 3 365.397 2.861 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000823643834 599548568 /nfs/dbraw/zinc/54/85/68/599548568.db2.gz CKPKYJQXZINMNR-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000823643834 599548569 /nfs/dbraw/zinc/54/85/69/599548569.db2.gz CKPKYJQXZINMNR-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM CCCC[C@H](COC)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821042402 599564188 /nfs/dbraw/zinc/56/41/88/599564188.db2.gz ANRDMNWRRLNJJF-LLVKDONJSA-N -1 3 371.401 2.940 20 5 FFBDHM CCCC[C@H](COC)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821042402 599564190 /nfs/dbraw/zinc/56/41/90/599564190.db2.gz ANRDMNWRRLNJJF-LLVKDONJSA-N -1 3 371.401 2.940 20 5 FFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823077977 599695415 /nfs/dbraw/zinc/69/54/15/599695415.db2.gz CYDHRNGOECWHDI-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823077977 599695416 /nfs/dbraw/zinc/69/54/16/599695416.db2.gz CYDHRNGOECWHDI-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826254367 607413671 /nfs/dbraw/zinc/41/36/71/607413671.db2.gz ICZPCYHLLRQBFH-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826254367 607413672 /nfs/dbraw/zinc/41/36/72/607413672.db2.gz ICZPCYHLLRQBFH-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(-c2nnn[n-]2)c1C ZINC000826349741 607428658 /nfs/dbraw/zinc/42/86/58/607428658.db2.gz SQLRLNWDDOUETH-UHFFFAOYSA-N -1 3 372.410 2.943 20 5 FFBDHM Cc1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(-c2nn[n-]n2)c1C ZINC000826349741 607428659 /nfs/dbraw/zinc/42/86/59/607428659.db2.gz SQLRLNWDDOUETH-UHFFFAOYSA-N -1 3 372.410 2.943 20 5 FFBDHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820643115 606138705 /nfs/dbraw/zinc/13/87/05/606138705.db2.gz QFLIBLWLSVXZRJ-GXTWGEPZSA-N -1 3 365.397 2.627 20 5 FFBDHM C[C@H]1[C@@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820643115 606138706 /nfs/dbraw/zinc/13/87/06/606138706.db2.gz QFLIBLWLSVXZRJ-GXTWGEPZSA-N -1 3 365.397 2.627 20 5 FFBDHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821703038 606346294 /nfs/dbraw/zinc/34/62/94/606346294.db2.gz LRWWNNXQSVZXLM-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821703038 606346296 /nfs/dbraw/zinc/34/62/96/606346296.db2.gz LRWWNNXQSVZXLM-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820396664 606625868 /nfs/dbraw/zinc/62/58/68/606625868.db2.gz HWGADGKVJYGEBY-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820396664 606625869 /nfs/dbraw/zinc/62/58/69/606625869.db2.gz HWGADGKVJYGEBY-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822930314 607244739 /nfs/dbraw/zinc/24/47/39/607244739.db2.gz YWJRQIFQRZXPDV-BAQGIRSFSA-N -1 3 355.285 2.533 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822930314 607244740 /nfs/dbraw/zinc/24/47/40/607244740.db2.gz YWJRQIFQRZXPDV-BAQGIRSFSA-N -1 3 355.285 2.533 20 5 FFBDHM COc1ccc(Cn2ccc3c2cccc3[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826208250 607973108 /nfs/dbraw/zinc/97/31/08/607973108.db2.gz BBPKOQCUGFSGER-UHFFFAOYSA-N -1 3 350.338 2.787 20 5 FFBDHM COc1ccc(Cn2ccc3c2cccc3[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826208250 607973109 /nfs/dbraw/zinc/97/31/09/607973109.db2.gz BBPKOQCUGFSGER-UHFFFAOYSA-N -1 3 350.338 2.787 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826497472 608238648 /nfs/dbraw/zinc/23/86/48/608238648.db2.gz ITCNIUFMGRMPAF-PBHICJAKSA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826497472 608238649 /nfs/dbraw/zinc/23/86/49/608238649.db2.gz ITCNIUFMGRMPAF-PBHICJAKSA-N -1 3 366.381 2.965 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000824963090 608303009 /nfs/dbraw/zinc/30/30/09/608303009.db2.gz ZJBKLZGVXUVYQW-MNOVXSKESA-N -1 3 353.386 2.805 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000824963090 608303010 /nfs/dbraw/zinc/30/30/10/608303010.db2.gz ZJBKLZGVXUVYQW-MNOVXSKESA-N -1 3 353.386 2.805 20 5 FFBDHM O=[N+]([O-])c1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)c(F)c1 ZINC000826498001 608534456 /nfs/dbraw/zinc/53/44/56/608534456.db2.gz CPMCAIUFCDXVGA-UHFFFAOYSA-N -1 3 354.345 2.693 20 5 FFBDHM COc1cccc(C2=CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000826215477 608585617 /nfs/dbraw/zinc/58/56/17/608585617.db2.gz PSEVRWNOBFLPIG-UHFFFAOYSA-N -1 3 364.365 2.687 20 5 FFBDHM COc1cccc(C2=CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000826215477 608585618 /nfs/dbraw/zinc/58/56/18/608585618.db2.gz PSEVRWNOBFLPIG-UHFFFAOYSA-N -1 3 364.365 2.687 20 5 FFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000825632340 609436542 /nfs/dbraw/zinc/43/65/42/609436542.db2.gz PBSDDHDHDXLOIC-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000825632340 609436543 /nfs/dbraw/zinc/43/65/43/609436543.db2.gz PBSDDHDHDXLOIC-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1cc(F)c(F)c(F)c1 ZINC000826497586 609572620 /nfs/dbraw/zinc/57/26/20/609572620.db2.gz MNOAWQTVUFWGSB-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1cc(F)c(F)c(F)c1 ZINC000826497586 609572621 /nfs/dbraw/zinc/57/26/21/609572621.db2.gz MNOAWQTVUFWGSB-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCCNc2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000826498681 609603509 /nfs/dbraw/zinc/60/35/09/609603509.db2.gz FLUULPFUUPRLPT-UHFFFAOYSA-N -1 3 357.349 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCCNc2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000826498681 609603512 /nfs/dbraw/zinc/60/35/12/609603512.db2.gz FLUULPFUUPRLPT-UHFFFAOYSA-N -1 3 357.349 2.828 20 5 FFBDHM Cc1nc(C)c(CCC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c(=O)[n-]1 ZINC000116062377 728569312 /nfs/dbraw/zinc/56/93/12/728569312.db2.gz FWKVPSDBEFXNGO-UHFFFAOYSA-N -1 3 365.773 2.624 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCN(c3cc(C)c([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000884703680 733552039 /nfs/dbraw/zinc/55/20/39/733552039.db2.gz HEVHGRLFHKXSRX-UHFFFAOYSA-N -1 3 363.805 2.687 20 5 FFBDHM O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cncc([O-])c1 ZINC000773432543 737905748 /nfs/dbraw/zinc/90/57/48/737905748.db2.gz TYASRAQRRWHRHN-UHFFFAOYSA-N -1 3 353.128 2.815 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCOC2)c(Cl)c1 ZINC000921854940 738057003 /nfs/dbraw/zinc/05/70/03/738057003.db2.gz NXILTJAHWFPYIJ-XHDPSFHLSA-N -1 3 374.846 2.732 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000931313027 739243259 /nfs/dbraw/zinc/24/32/59/739243259.db2.gz BJFYSGAOJCRLIJ-UHFFFAOYSA-N -1 3 354.288 2.933 20 5 FFBDHM CN(C)c1cc(F)c(C(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000791217308 739538377 /nfs/dbraw/zinc/53/83/77/739538377.db2.gz JKRPQPWFCVSZRJ-UHFFFAOYSA-N -1 3 351.309 2.575 20 5 FFBDHM CC(C)OCCO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000795068386 739959215 /nfs/dbraw/zinc/95/92/15/739959215.db2.gz FRIXRFRSTIEJGL-UHFFFAOYSA-N -1 3 365.155 2.583 20 5 FFBDHM Cc1ccnc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826314223 743378926 /nfs/dbraw/zinc/37/89/26/743378926.db2.gz LZIJZNGAVFCYBM-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM Cc1ccnc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826314223 743378932 /nfs/dbraw/zinc/37/89/32/743378932.db2.gz LZIJZNGAVFCYBM-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826466972 743388452 /nfs/dbraw/zinc/38/84/52/743388452.db2.gz BMIOLLGXIDRWAH-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826466972 743388456 /nfs/dbraw/zinc/38/84/56/743388456.db2.gz BMIOLLGXIDRWAH-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000843315980 747810648 /nfs/dbraw/zinc/81/06/48/747810648.db2.gz FUMTXKUCYZHVRV-SSDOTTSWSA-N -1 3 371.193 2.991 20 5 FFBDHM Cc1nc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)sc1C ZINC000848588809 748967168 /nfs/dbraw/zinc/96/71/68/748967168.db2.gz ZPSGUJDYOYTLOW-UHFFFAOYSA-N -1 3 357.338 2.956 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853296055 750044862 /nfs/dbraw/zinc/04/48/62/750044862.db2.gz ZNNKETXESSJNRK-LLVKDONJSA-N -1 3 352.391 2.754 20 5 FFBDHM CCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1=O ZINC000176587090 845718559 /nfs/dbraw/zinc/71/85/59/845718559.db2.gz ATJRLFQMZWVAPC-UHFFFAOYSA-N -1 3 371.802 2.539 20 5 FFBDHM CCc1ccc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821476381 945705505 /nfs/dbraw/zinc/70/55/05/945705505.db2.gz NOOGKNVMFFGVNK-UHFFFAOYSA-N -1 3 366.381 2.610 20 5 FFBDHM CCc1ccc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821476381 945705512 /nfs/dbraw/zinc/70/55/12/945705512.db2.gz NOOGKNVMFFGVNK-UHFFFAOYSA-N -1 3 366.381 2.610 20 5 FFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823111192 946315948 /nfs/dbraw/zinc/31/59/48/946315948.db2.gz FSVUYHMYZAFDGO-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823111192 946315957 /nfs/dbraw/zinc/31/59/57/946315957.db2.gz FSVUYHMYZAFDGO-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCOc1ccccc1F ZINC000826497287 948410902 /nfs/dbraw/zinc/41/09/02/948410902.db2.gz AZMVVPYLDWGEIN-UHFFFAOYSA-N -1 3 358.333 2.795 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCOc1ccccc1F ZINC000826497287 948410908 /nfs/dbraw/zinc/41/09/08/948410908.db2.gz AZMVVPYLDWGEIN-UHFFFAOYSA-N -1 3 358.333 2.795 20 5 FFBDHM Cc1c(Cc2noc(-c3cc4c(cc3[O-])OCO4)n2)cccc1[N+](=O)[O-] ZINC000436941339 980572117 /nfs/dbraw/zinc/57/21/17/980572117.db2.gz CXFRXVHQDCEQIH-UHFFFAOYSA-N -1 3 355.306 2.978 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913296107 984234524 /nfs/dbraw/zinc/23/45/24/984234524.db2.gz KKSCYQGHVJTDFT-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913296107 984234526 /nfs/dbraw/zinc/23/45/26/984234526.db2.gz KKSCYQGHVJTDFT-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC001593146928 993947715 /nfs/dbraw/zinc/94/77/15/993947715.db2.gz VDKVUVMJZFPEAU-SJKOYZFVSA-N -1 3 371.393 2.714 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc([N+](=O)[O-])n3C)c2)n1 ZINC000744216604 999847968 /nfs/dbraw/zinc/84/79/68/999847968.db2.gz BCMVCYRCYWJORP-UHFFFAOYSA-N -1 3 354.322 2.624 20 5 FFBDHM CC(=O)c1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001191935037 1004002786 /nfs/dbraw/zinc/00/27/86/1004002786.db2.gz HUEQKMZQDLRSHB-UHFFFAOYSA-N -1 3 368.798 2.929 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC001187920335 1006317444 /nfs/dbraw/zinc/31/74/44/1006317444.db2.gz DWOREWPXMZGGOI-NSHDSACASA-N -1 3 352.391 2.895 20 5 FFBDHM O=C1CCCN1CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000853428208 1006390232 /nfs/dbraw/zinc/39/02/32/1006390232.db2.gz YCVYMFXAPALQLJ-CYBMUJFWSA-N -1 3 368.393 2.943 20 5 FFBDHM Cc1c([N-]C(=O)c2nc3ncccn3n2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001134649274 1006426423 /nfs/dbraw/zinc/42/64/23/1006426423.db2.gz GNZMSBJAIQQXIX-UHFFFAOYSA-N -1 3 366.259 2.612 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c([N+](=O)[O-])s1 ZINC001190661980 1007723317 /nfs/dbraw/zinc/72/33/17/1007723317.db2.gz CVQCQDDZIAFNMJ-NSHDSACASA-N -1 3 354.409 2.636 20 5 FFBDHM CCc1ccc([O-])c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000748831467 1017713681 /nfs/dbraw/zinc/71/36/81/1017713681.db2.gz UQXHNNBJMOFAHS-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM COc1cc(C(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)cc(OC)c1[O-] ZINC000778828469 1022414073 /nfs/dbraw/zinc/41/40/73/1022414073.db2.gz MPUANYZHXLBXTP-UHFFFAOYSA-N -1 3 363.322 2.683 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cncc(Br)c2)no1 ZINC001212937150 1027443967 /nfs/dbraw/zinc/44/39/67/1027443967.db2.gz QGJCNOBIOXIOSO-UHFFFAOYSA-N -1 3 364.115 2.570 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225660026 1034354979 /nfs/dbraw/zinc/35/49/79/1034354979.db2.gz BTOBNHFJOMLTTC-PWSUYJOCSA-N -1 3 371.365 2.812 20 5 FFBDHM C[C@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001225660783 1034355327 /nfs/dbraw/zinc/35/53/27/1034355327.db2.gz GKTIPJQSRYNKBC-QWRGUYRKSA-N -1 3 353.375 2.862 20 5 FFBDHM CCOC(=O)[C@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])c2ccccc2O1 ZINC001225664506 1034359480 /nfs/dbraw/zinc/35/94/80/1034359480.db2.gz PMEKUZYSARHQQI-UONOGXRCSA-N -1 3 360.322 2.530 20 5 FFBDHM COc1cc(O[C@H]2COC[C@@H]2C)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227645423 1035653825 /nfs/dbraw/zinc/65/38/25/1035653825.db2.gz HORPQDQLWOTCQI-VFZGTOFNSA-N -1 3 358.346 2.780 20 5 FFBDHM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744702 1035710443 /nfs/dbraw/zinc/71/04/43/1035710443.db2.gz HYBSCLNPZMILRM-AVGNSLFASA-N -1 3 367.402 2.695 20 5 FFBDHM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744702 1035710462 /nfs/dbraw/zinc/71/04/62/1035710462.db2.gz HYBSCLNPZMILRM-AVGNSLFASA-N -1 3 367.402 2.695 20 5 FFBDHM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744952 1035710841 /nfs/dbraw/zinc/71/08/41/1035710841.db2.gz KGLOIGNJPYHMOV-OAHLLOKOSA-N -1 3 369.381 2.813 20 5 FFBDHM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744952 1035710858 /nfs/dbraw/zinc/71/08/58/1035710858.db2.gz KGLOIGNJPYHMOV-OAHLLOKOSA-N -1 3 369.381 2.813 20 5 FFBDHM Cc1cc2[n-]c(O[C@@H]3CCN(c4ccnc(Cl)n4)C3)nc2cc1[N+](=O)[O-] ZINC001228673565 1036248104 /nfs/dbraw/zinc/24/81/04/1036248104.db2.gz HHSUKZIZPSZKGY-SNVBAGLBSA-N -1 3 374.788 2.881 20 5 FFBDHM CCOC(=O)[C@@H]1CC[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CO1 ZINC001233497824 1036661586 /nfs/dbraw/zinc/66/15/86/1036661586.db2.gz IFZFGDJXPYPALK-SDBXPKJASA-N -1 3 369.761 2.614 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC23CCCC3)c(Cl)c1 ZINC001213978885 1041134595 /nfs/dbraw/zinc/13/45/95/1041134595.db2.gz SVJGEJNSYSRRBA-CYBMUJFWSA-N -1 3 360.819 2.628 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([N+](=O)[O-])s1 ZINC001309871964 1043566586 /nfs/dbraw/zinc/56/65/86/1043566586.db2.gz WSCYTMUEYIVFLY-IACUBPJLSA-N -1 3 350.421 2.581 20 5 FFBDHM O=C(Nc1ccc([C@H](O)C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302498808 1051125598 /nfs/dbraw/zinc/12/55/98/1051125598.db2.gz UORXLOFYAROPFM-NSHDSACASA-N -1 3 357.244 2.543 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303257027 1051314674 /nfs/dbraw/zinc/31/46/74/1051314674.db2.gz NKWAPOCFNHPNAQ-BAQGIRSFSA-N -1 3 352.350 2.523 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001309067969 1052549264 /nfs/dbraw/zinc/54/92/64/1052549264.db2.gz WCGDVNYZLDXYEW-ABAIWWIYSA-N -1 3 374.434 2.916 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c([N+](=O)[O-])s1 ZINC001309074066 1052549962 /nfs/dbraw/zinc/54/99/62/1052549962.db2.gz MMNPZDIOUGOGCJ-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM O=C(Nc1ccc(F)cc1OCC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001446969451 1058578592 /nfs/dbraw/zinc/57/85/92/1058578592.db2.gz FQMMGIJWCWAQLH-UHFFFAOYSA-N -1 3 357.244 2.731 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(C(F)(F)F)c2)nc1 ZINC001475552845 1061137816 /nfs/dbraw/zinc/13/78/16/1061137816.db2.gz IRIFIGNWJWBHJT-UHFFFAOYSA-N -1 3 367.330 2.549 20 5 FFBDHM Cc1ncc([C@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC001475565605 1061140985 /nfs/dbraw/zinc/14/09/85/1061140985.db2.gz DLAZLUKAVMJBDM-QMMMGPOBSA-N -1 3 359.404 2.847 20 5 FFBDHM COc1cnc([C@@H]2CCCN2CCCOc2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC001460911754 1061147891 /nfs/dbraw/zinc/14/78/91/1061147891.db2.gz QRUZGLIBCLDFNE-HNNXBMFYSA-N -1 3 374.397 2.705 20 5 FFBDHM O=C([N-]OCc1cccnc1)c1c(Br)cccc1[N+](=O)[O-] ZINC001566547760 1072051761 /nfs/dbraw/zinc/05/17/61/1072051761.db2.gz DXEHOLGFSCKAQN-UHFFFAOYSA-N -1 3 352.144 2.614 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c(F)cc1[N+](=O)[O-] ZINC001463416852 1062096984 /nfs/dbraw/zinc/09/69/84/1062096984.db2.gz BYBJVPRRBYPADB-CYBMUJFWSA-N -1 3 360.407 2.667 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@@H]1F ZINC001464348890 1062561286 /nfs/dbraw/zinc/56/12/86/1062561286.db2.gz NIMIARRHXPGAKW-XJKSGUPXSA-N -1 3 350.371 2.899 20 5 FFBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001464350406 1062562669 /nfs/dbraw/zinc/56/26/69/1062562669.db2.gz OIUJKLPDSZHXML-UHFFFAOYSA-N -1 3 359.288 2.645 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(CCc2ccccc2)nn1 ZINC001524172455 1062742288 /nfs/dbraw/zinc/74/22/88/1062742288.db2.gz SQFUIMPADOCVKD-UHFFFAOYSA-N -1 3 355.329 2.820 20 5 FFBDHM CSc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001468753665 1064031327 /nfs/dbraw/zinc/03/13/27/1064031327.db2.gz UMAKKYVRKABMEQ-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM CSc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001468753665 1064031330 /nfs/dbraw/zinc/03/13/30/1064031330.db2.gz UMAKKYVRKABMEQ-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001472111732 1064939809 /nfs/dbraw/zinc/93/98/09/1064939809.db2.gz SRSNQLWPIHOPDF-YFKPBYRVSA-N -1 3 363.683 2.876 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001472111731 1064940037 /nfs/dbraw/zinc/94/00/37/1064940037.db2.gz SRSNQLWPIHOPDF-RXMQYKEDSA-N -1 3 363.683 2.876 20 5 FFBDHM C[C@@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCCO1 ZINC001575792067 1078168420 /nfs/dbraw/zinc/16/84/20/1078168420.db2.gz HWYPFFDBAOCSGT-KRWDZBQOSA-N -1 3 369.385 2.694 20 5 FFBDHM C[C@@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCCO1 ZINC001575792067 1078168423 /nfs/dbraw/zinc/16/84/23/1078168423.db2.gz HWYPFFDBAOCSGT-KRWDZBQOSA-N -1 3 369.385 2.694 20 5 FFBDHM C[C@]1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001575792957 1078168739 /nfs/dbraw/zinc/16/87/39/1078168739.db2.gz OJWMKWVQNNOSOR-GOEBONIOSA-N -1 3 362.365 2.531 20 5 FFBDHM C[C@]1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001575792957 1078168741 /nfs/dbraw/zinc/16/87/41/1078168741.db2.gz OJWMKWVQNNOSOR-GOEBONIOSA-N -1 3 362.365 2.531 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C12CCCC2 ZINC001475039111 1065683098 /nfs/dbraw/zinc/68/30/98/1065683098.db2.gz WSJQWQXUQLENHF-STQMWFEESA-N -1 3 374.484 2.981 20 5 FFBDHM CCC1(c2ccccc2)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001577125918 1078306822 /nfs/dbraw/zinc/30/68/22/1078306822.db2.gz ARRYVCBBHHGDTO-UHFFFAOYSA-N -1 3 365.397 2.525 20 5 FFBDHM CCC1(c2ccccc2)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001577125918 1078306824 /nfs/dbraw/zinc/30/68/24/1078306824.db2.gz ARRYVCBBHHGDTO-UHFFFAOYSA-N -1 3 365.397 2.525 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001578527463 1078488278 /nfs/dbraw/zinc/48/82/78/1078488278.db2.gz RCOHZNPNSVHBAX-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001578527463 1078488281 /nfs/dbraw/zinc/48/82/81/1078488281.db2.gz RCOHZNPNSVHBAX-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001579252993 1078601555 /nfs/dbraw/zinc/60/15/55/1078601555.db2.gz DACUPQOBLJJEJO-UHFFFAOYSA-N -1 3 371.332 2.578 20 5 FFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001579252993 1078601559 /nfs/dbraw/zinc/60/15/59/1078601559.db2.gz DACUPQOBLJJEJO-UHFFFAOYSA-N -1 3 371.332 2.578 20 5 FFBDHM COc1cc(OC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001579936750 1078721324 /nfs/dbraw/zinc/72/13/24/1078721324.db2.gz VAAOCKLAIKRLSX-UHFFFAOYSA-N -1 3 369.337 2.620 20 5 FFBDHM COc1cc(OC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001579936750 1078721332 /nfs/dbraw/zinc/72/13/32/1078721332.db2.gz VAAOCKLAIKRLSX-UHFFFAOYSA-N -1 3 369.337 2.620 20 5 FFBDHM Cc1cc(COC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC001580928631 1078892946 /nfs/dbraw/zinc/89/29/46/1078892946.db2.gz VHHDNQWKDVOSDW-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC001580928631 1078892953 /nfs/dbraw/zinc/89/29/53/1078892953.db2.gz VHHDNQWKDVOSDW-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(OCCCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001581210207 1078938630 /nfs/dbraw/zinc/93/86/30/1078938630.db2.gz KKMRFIGXCQKAJB-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1ccc(OCCCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001581210207 1078938634 /nfs/dbraw/zinc/93/86/34/1078938634.db2.gz KKMRFIGXCQKAJB-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(Nc2ccc(N3CCCC3)cc2)c1-c1nnn[n-]1 ZINC001581909402 1079015239 /nfs/dbraw/zinc/01/52/39/1079015239.db2.gz CGWSJFSAWQKCAH-UHFFFAOYSA-N -1 3 366.385 2.701 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(Nc2ccc(N3CCCC3)cc2)c1-c1nn[n-]n1 ZINC001581909402 1079015246 /nfs/dbraw/zinc/01/52/46/1079015246.db2.gz CGWSJFSAWQKCAH-UHFFFAOYSA-N -1 3 366.385 2.701 20 5 FFBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001582057663 1079024208 /nfs/dbraw/zinc/02/42/08/1079024208.db2.gz PRMFEOSKPFLSMD-UHFFFAOYSA-N -1 3 374.307 2.624 20 5 FFBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001582057663 1079024215 /nfs/dbraw/zinc/02/42/15/1079024215.db2.gz PRMFEOSKPFLSMD-UHFFFAOYSA-N -1 3 374.307 2.624 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC1(c2cccc(F)c2)CCC1 ZINC001582803340 1079109006 /nfs/dbraw/zinc/10/90/06/1079109006.db2.gz CUDNXHSGDOUAOH-UHFFFAOYSA-N -1 3 369.360 2.843 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC1(c2cccc(F)c2)CCC1 ZINC001582803340 1079109011 /nfs/dbraw/zinc/10/90/11/1079109011.db2.gz CUDNXHSGDOUAOH-UHFFFAOYSA-N -1 3 369.360 2.843 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCc1c(F)cccc1F ZINC001582804010 1079110061 /nfs/dbraw/zinc/11/00/61/1079110061.db2.gz ZYPVDNFSQJEBAA-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCc1c(F)cccc1F ZINC001582804010 1079110065 /nfs/dbraw/zinc/11/00/65/1079110065.db2.gz ZYPVDNFSQJEBAA-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])c(F)cc3C)nc21 ZINC001583134076 1079169532 /nfs/dbraw/zinc/16/95/32/1079169532.db2.gz ANAXDBDZGAOCKS-UHFFFAOYSA-N -1 3 372.312 2.958 20 5 FFBDHM COc1cccc(OC(F)(F)F)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001558002500 1075925232 /nfs/dbraw/zinc/92/52/32/1075925232.db2.gz NOWYHHLQHPIZJT-UHFFFAOYSA-N -1 3 373.243 2.855 20 5 FFBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC001561258946 1076352982 /nfs/dbraw/zinc/35/29/82/1076352982.db2.gz LBTLDOBKFJRAAO-ZJUUUORDSA-N -1 3 350.487 2.917 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])s1 ZINC001561497015 1076384551 /nfs/dbraw/zinc/38/45/51/1076384551.db2.gz GOWBRZKFVVOIKU-NWDGAFQWSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1ccncc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC001561587538 1076395692 /nfs/dbraw/zinc/39/56/92/1076395692.db2.gz ZJYVKQXSTRYYNF-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)c([N+](=O)[O-])s1 ZINC001561621604 1076399642 /nfs/dbraw/zinc/39/96/42/1076399642.db2.gz WHYAVLWGMORTSE-RNCFNFMXSA-N -1 3 354.409 2.765 20 5 FFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(CO)CCCC1 ZINC001561634004 1076401313 /nfs/dbraw/zinc/40/13/13/1076401313.db2.gz XMWPRCUKPHOBQQ-HNNXBMFYSA-N -1 3 374.434 2.590 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)c([N+](=O)[O-])s1 ZINC001561658456 1076404072 /nfs/dbraw/zinc/40/40/72/1076404072.db2.gz UGKKDEIWOIGNJO-UHFFFAOYSA-N -1 3 355.441 2.616 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCC2)CO1 ZINC001561922157 1076445804 /nfs/dbraw/zinc/44/58/04/1076445804.db2.gz DNWBFMCULIKBHE-LBPRGKRZSA-N -1 3 374.846 2.876 20 5 FFBDHM CC(=O)N(C)c1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588800746 1080202066 /nfs/dbraw/zinc/20/20/66/1080202066.db2.gz UXOHAAVAKHHLAF-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM CC(=O)N(C)c1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588800746 1080202075 /nfs/dbraw/zinc/20/20/75/1080202075.db2.gz UXOHAAVAKHHLAF-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM CC(C)(CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])Cc1ccccc1 ZINC001589291922 1080467482 /nfs/dbraw/zinc/46/74/82/1080467482.db2.gz FKGJAUYMKTYBMK-UHFFFAOYSA-N -1 3 353.386 2.851 20 5 FFBDHM CC(C)(CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])Cc1ccccc1 ZINC001589291922 1080467486 /nfs/dbraw/zinc/46/74/86/1080467486.db2.gz FKGJAUYMKTYBMK-UHFFFAOYSA-N -1 3 353.386 2.851 20 5 FFBDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001589755257 1080708585 /nfs/dbraw/zinc/70/85/85/1080708585.db2.gz LBBYRIXZOPLXCG-UHFFFAOYSA-N -1 3 374.382 2.876 20 5 FFBDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC001589755257 1080708593 /nfs/dbraw/zinc/70/85/93/1080708593.db2.gz LBBYRIXZOPLXCG-UHFFFAOYSA-N -1 3 374.382 2.876 20 5 FFBDHM CC(C)Oc1nc(NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC001589759341 1080715210 /nfs/dbraw/zinc/71/52/10/1080715210.db2.gz HVHWNRCVEBKIOR-UHFFFAOYSA-N -1 3 373.348 2.708 20 5 FFBDHM CC(C)Oc1nc(NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC001589759341 1080715217 /nfs/dbraw/zinc/71/52/17/1080715217.db2.gz HVHWNRCVEBKIOR-UHFFFAOYSA-N -1 3 373.348 2.708 20 5 FFBDHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589800988 1080755821 /nfs/dbraw/zinc/75/58/21/1080755821.db2.gz FSEGBPIGMVPVDV-RNCFNFMXSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)N(C)c1ccccc1 ZINC001589876988 1080825020 /nfs/dbraw/zinc/82/50/20/1080825020.db2.gz COWXQZHOUUYQMV-GFCCVEGCSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)N(C)c1ccccc1 ZINC001589876988 1080825029 /nfs/dbraw/zinc/82/50/29/1080825029.db2.gz COWXQZHOUUYQMV-GFCCVEGCSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001589889511 1080835172 /nfs/dbraw/zinc/83/51/72/1080835172.db2.gz JPQXRMJVHPMBRV-GFCCVEGCSA-N -1 3 366.381 2.617 20 5 FFBDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001589889511 1080835176 /nfs/dbraw/zinc/83/51/76/1080835176.db2.gz JPQXRMJVHPMBRV-GFCCVEGCSA-N -1 3 366.381 2.617 20 5 FFBDHM C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589935883 1080880144 /nfs/dbraw/zinc/88/01/44/1080880144.db2.gz ANPLUUKHIWRMKB-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589935883 1080880151 /nfs/dbraw/zinc/88/01/51/1080880151.db2.gz ANPLUUKHIWRMKB-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001589977903 1080917111 /nfs/dbraw/zinc/91/71/11/1080917111.db2.gz AKRMTPOMQKOKDY-RSNKEIGGSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001589977903 1080917114 /nfs/dbraw/zinc/91/71/14/1080917114.db2.gz AKRMTPOMQKOKDY-RSNKEIGGSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001589980872 1080920431 /nfs/dbraw/zinc/92/04/31/1080920431.db2.gz GBUHJGKDEQGXDY-LLVKDONJSA-N -1 3 368.401 2.945 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001589980872 1080920434 /nfs/dbraw/zinc/92/04/34/1080920434.db2.gz GBUHJGKDEQGXDY-LLVKDONJSA-N -1 3 368.401 2.945 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001590008601 1080936143 /nfs/dbraw/zinc/93/61/43/1080936143.db2.gz JUVNYDOSJRYGJQ-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001590008601 1080936150 /nfs/dbraw/zinc/93/61/50/1080936150.db2.gz JUVNYDOSJRYGJQ-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@]1(NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001590148820 1081050888 /nfs/dbraw/zinc/05/08/88/1081050888.db2.gz UPROEDKVEGSGRK-SFHVURJKSA-N -1 3 366.381 2.562 20 5 FFBDHM C[C@]1(NCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001590148820 1081050894 /nfs/dbraw/zinc/05/08/94/1081050894.db2.gz UPROEDKVEGSGRK-SFHVURJKSA-N -1 3 366.381 2.562 20 5 FFBDHM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590169732 1081067581 /nfs/dbraw/zinc/06/75/81/1081067581.db2.gz YDGRVWALIOJFSS-XPUUQOCRSA-N -1 3 360.271 2.691 20 5 FFBDHM C[C@H]1[C@@H](C(F)(F)F)CCN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590169732 1081067586 /nfs/dbraw/zinc/06/75/86/1081067586.db2.gz YDGRVWALIOJFSS-XPUUQOCRSA-N -1 3 360.271 2.691 20 5 FFBDHM C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590215395 1081098422 /nfs/dbraw/zinc/09/84/22/1081098422.db2.gz VCZYVYMGDCQTQD-IAQYHMDHSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@@H]1C[C@H](c2cccnc2)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590215395 1081098430 /nfs/dbraw/zinc/09/84/30/1081098430.db2.gz VCZYVYMGDCQTQD-IAQYHMDHSA-N -1 3 351.370 2.757 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000106891456 250297117 /nfs/dbraw/zinc/29/71/17/250297117.db2.gz KMNCGBLZVOKQAA-NSHDSACASA-N -1 3 373.862 2.543 20 5 FFBDHM CN1CCCN(c2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC000272519126 252057889 /nfs/dbraw/zinc/05/78/89/252057889.db2.gz HDPHLSBJKUGJMT-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)ccc1[N+](=O)[O-] ZINC000275822724 256051205 /nfs/dbraw/zinc/05/12/05/256051205.db2.gz RHKVVJGLVGSZJH-UHFFFAOYSA-N -1 3 363.439 2.808 20 5 FFBDHM COc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccc1[O-] ZINC000276861709 256137454 /nfs/dbraw/zinc/13/74/54/256137454.db2.gz CRAGWISOSJETNB-UHFFFAOYSA-N -1 3 372.377 2.993 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000277998210 256265612 /nfs/dbraw/zinc/26/56/12/256265612.db2.gz NZIDBRXHHUHHHH-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM O=C(NCCCNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccc([O-])c1 ZINC000278499023 256319416 /nfs/dbraw/zinc/31/94/16/256319416.db2.gz XBSUCIXZTKGNGT-UHFFFAOYSA-N -1 3 356.382 2.500 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c(Cl)c1 ZINC000288654635 257214845 /nfs/dbraw/zinc/21/48/45/257214845.db2.gz QXVYQAYWGAIIFY-UHFFFAOYSA-N -1 3 371.802 2.594 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)c1[N+](=O)[O-] ZINC000288960525 257241605 /nfs/dbraw/zinc/24/16/05/257241605.db2.gz PXQQBTHEWOEXPG-LBPRGKRZSA-N -1 3 352.416 2.610 20 5 FFBDHM Cc1cc(NCCNC(=O)c2ccc([O-])cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000302042524 258084177 /nfs/dbraw/zinc/08/41/77/258084177.db2.gz WXKRIUOSNNLMKR-UHFFFAOYSA-N -1 3 366.377 2.999 20 5 FFBDHM CC(C)CCn1ccc([N-]c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)n1 ZINC000302787174 258110779 /nfs/dbraw/zinc/11/07/79/258110779.db2.gz WTRAOKUGZSDNAS-UHFFFAOYSA-N -1 3 352.416 2.985 20 5 FFBDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330382626 258162694 /nfs/dbraw/zinc/16/26/94/258162694.db2.gz JBRYBKPHXSQQMK-LDYMZIIASA-N -1 3 363.233 2.824 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000330846921 258171954 /nfs/dbraw/zinc/17/19/54/258171954.db2.gz OISZMMJNSRJTLT-ZYHUDNBSSA-N -1 3 360.457 2.556 20 5 FFBDHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000331183534 258179172 /nfs/dbraw/zinc/17/91/72/258179172.db2.gz SLPAYPYVSIKLLA-YPMHNXCESA-N -1 3 374.484 2.946 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000065140617 506263232 /nfs/dbraw/zinc/26/32/32/506263232.db2.gz FKNGVYHPDQXDBD-XJKSGUPXSA-N -1 3 355.394 2.866 20 5 FFBDHM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000410274979 512234377 /nfs/dbraw/zinc/23/43/77/512234377.db2.gz WDUKCWTYTXXVLK-UHFFFAOYSA-N -1 3 353.338 2.657 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccc(F)cc21 ZINC000053694608 506432317 /nfs/dbraw/zinc/43/23/17/506432317.db2.gz ABNNBCYBQMFDTM-CYBMUJFWSA-N -1 3 366.370 2.926 20 5 FFBDHM O=C(Nc1ccc(N2CCCC2=O)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000044653576 506871870 /nfs/dbraw/zinc/87/18/70/506871870.db2.gz JWFBQZWHMUHTSO-UHFFFAOYSA-N -1 3 365.349 2.850 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000055971303 506900614 /nfs/dbraw/zinc/90/06/14/506900614.db2.gz FRAVIOXYXFMTJF-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM CC(C)n1ncc2c1[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000373405838 512314753 /nfs/dbraw/zinc/31/47/53/512314753.db2.gz GILZEKUAFJQAPG-CYBMUJFWSA-N -1 3 364.427 2.728 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000025374971 507494934 /nfs/dbraw/zinc/49/49/34/507494934.db2.gz JPMPOSRASYVFPM-VHSXEESVSA-N -1 3 352.334 2.994 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000029395987 507776576 /nfs/dbraw/zinc/77/65/76/507776576.db2.gz QTZDFZMUBFEGAS-UHFFFAOYSA-N -1 3 352.334 2.994 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000030496429 507809362 /nfs/dbraw/zinc/80/93/62/507809362.db2.gz LOLZQUTXNLKTRS-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000030496431 507809407 /nfs/dbraw/zinc/80/94/07/507809407.db2.gz LOLZQUTXNLKTRS-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1C ZINC000111368018 508094233 /nfs/dbraw/zinc/09/42/33/508094233.db2.gz KOAHZQBXWQEEFH-GTNSWQLSSA-N -1 3 362.407 2.815 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1C ZINC000111368222 508094411 /nfs/dbraw/zinc/09/44/11/508094411.db2.gz IKIKIRHYNVTXQD-PIGZYNQJSA-N -1 3 362.407 2.815 20 5 FFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000081011828 508124912 /nfs/dbraw/zinc/12/49/12/508124912.db2.gz LVFKKXKUMMPEIT-CQSZACIVSA-N -1 3 355.394 2.819 20 5 FFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000112361650 508179623 /nfs/dbraw/zinc/17/96/23/508179623.db2.gz LBLNBODUGNUVSM-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000114799316 508348399 /nfs/dbraw/zinc/34/83/99/508348399.db2.gz YBYRKRZQXICWRP-MRXNPFEDSA-N -1 3 355.394 2.695 20 5 FFBDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000152412176 508441798 /nfs/dbraw/zinc/44/17/98/508441798.db2.gz NPOCCUYFTPMBAN-UHFFFAOYSA-N -1 3 364.423 2.860 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116361699 508503232 /nfs/dbraw/zinc/50/32/32/508503232.db2.gz JNQOBOCXFCYISM-JOYOIKCWSA-N -1 3 354.334 2.707 20 5 FFBDHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000117114293 508579785 /nfs/dbraw/zinc/57/97/85/508579785.db2.gz WZXMDWJPXMXBDL-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)c(F)c1 ZINC000135537835 508620254 /nfs/dbraw/zinc/62/02/54/508620254.db2.gz DDNLWPREWYFIIN-UHFFFAOYSA-N -1 3 363.370 2.736 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2F)CC1 ZINC000123203754 508651518 /nfs/dbraw/zinc/65/15/18/508651518.db2.gz HPLPZFHCDRUWQI-UHFFFAOYSA-N -1 3 368.361 2.883 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000119000297 508703614 /nfs/dbraw/zinc/70/36/14/508703614.db2.gz NEHWCMSMABHNQB-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000119000679 508704001 /nfs/dbraw/zinc/70/40/01/508704001.db2.gz FVZUXBZWEMKOGL-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1c(C)noc1C ZINC000119325659 508773915 /nfs/dbraw/zinc/77/39/15/508773915.db2.gz FVKMHNSIQGFBIY-LBPRGKRZSA-N -1 3 369.399 2.638 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000125084654 508928306 /nfs/dbraw/zinc/92/83/06/508928306.db2.gz DWAOTWXXDBKJQD-UHFFFAOYSA-N -1 3 374.434 2.999 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc(C(F)(F)F)cs1 ZINC000121564613 509178574 /nfs/dbraw/zinc/17/85/74/509178574.db2.gz AGNNKQJZTUDIFR-UHFFFAOYSA-N -1 3 367.330 2.549 20 5 FFBDHM CCSc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000188644609 509190266 /nfs/dbraw/zinc/19/02/66/509190266.db2.gz FNVFSLMKDAILJB-UHFFFAOYSA-N -1 3 359.454 2.642 20 5 FFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173312567 509524658 /nfs/dbraw/zinc/52/46/58/509524658.db2.gz WWONYDZERDENQB-UHFFFAOYSA-N -1 3 372.834 2.512 20 5 FFBDHM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000192459788 509527883 /nfs/dbraw/zinc/52/78/83/509527883.db2.gz NYHXHRHETMGUKC-UHFFFAOYSA-N -1 3 367.321 2.875 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCN(C2CCC2)C1 ZINC000183018842 509550880 /nfs/dbraw/zinc/55/08/80/509550880.db2.gz OKONZCAESCBHFO-NEPJUHHUSA-N -1 3 373.500 2.588 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000179660662 509560790 /nfs/dbraw/zinc/56/07/90/509560790.db2.gz XLTBEGGPPRPZEV-UHFFFAOYSA-N -1 3 374.378 2.629 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ncc(-c2ccccc2)cn1 ZINC000186176107 509560861 /nfs/dbraw/zinc/56/08/61/509560861.db2.gz SNPAFIXXWOJAKH-UHFFFAOYSA-N -1 3 370.390 2.530 20 5 FFBDHM Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1C(=O)N(C)C ZINC000176609223 509609277 /nfs/dbraw/zinc/60/92/77/509609277.db2.gz HUFKYIQGGZRHQD-UHFFFAOYSA-N -1 3 367.365 2.734 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1NCCCNC(=O)c1cccc([O-])c1 ZINC000176608686 509609307 /nfs/dbraw/zinc/60/93/07/509609307.db2.gz XRGRSXGANNBPLB-UHFFFAOYSA-N -1 3 359.382 2.679 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000186304769 509634747 /nfs/dbraw/zinc/63/47/47/509634747.db2.gz NRBXCADNGKGQJY-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000179874529 509655333 /nfs/dbraw/zinc/65/53/33/509655333.db2.gz XVWMNSYLYXLCIZ-DOMZBBRYSA-N -1 3 374.434 2.996 20 5 FFBDHM COC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000170507629 509672573 /nfs/dbraw/zinc/67/25/73/509672573.db2.gz PROBTELGLQURRH-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000170735272 509744990 /nfs/dbraw/zinc/74/49/90/509744990.db2.gz QJMKJIIBESQMDA-CQSZACIVSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nnc(C(C)(C)C)s1 ZINC000268131260 509770836 /nfs/dbraw/zinc/77/08/36/509770836.db2.gz ANHXXZMUHWJTRJ-UHFFFAOYSA-N -1 3 370.456 2.531 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000173826089 509801147 /nfs/dbraw/zinc/80/11/47/509801147.db2.gz ZLUHMXDJMIRRNI-ZDUSSCGKSA-N -1 3 372.406 2.820 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1C ZINC000268964514 510164769 /nfs/dbraw/zinc/16/47/69/510164769.db2.gz JQOIOCSFVLMVMZ-CYBMUJFWSA-N -1 3 354.428 2.592 20 5 FFBDHM COc1ccc(-c2nc(C(=O)[N-]c3c([N+](=O)[O-])cnn3C)cs2)cc1 ZINC000184394047 510302798 /nfs/dbraw/zinc/30/27/98/510302798.db2.gz KIFFECONVMZFFR-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM Cc1c(C(=O)Nc2cc(F)ccc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000174879511 510361782 /nfs/dbraw/zinc/36/17/82/510361782.db2.gz AMVMXHHJMNWXEH-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FFBDHM Cc1nc([N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000194567296 510425425 /nfs/dbraw/zinc/42/54/25/510425425.db2.gz BOZCZLASVFIEMZ-UHFFFAOYSA-N -1 3 353.338 2.853 20 5 FFBDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175119725 510491674 /nfs/dbraw/zinc/49/16/74/510491674.db2.gz GKRWHEAVCMAMFJ-VIFPVBQESA-N -1 3 372.834 2.638 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCc2ccccc2)c(Cl)c1 ZINC000175401702 510627683 /nfs/dbraw/zinc/62/76/83/510627683.db2.gz BOIVBEUJQNZPEV-UHFFFAOYSA-N -1 3 370.814 2.743 20 5 FFBDHM O=c1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)[n-]c2sc3c(c21)CCC3 ZINC000195040165 510643058 /nfs/dbraw/zinc/64/30/58/510643058.db2.gz OFLZWASUQQBJFL-UHFFFAOYSA-N -1 3 357.395 2.504 20 5 FFBDHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000185044785 510651842 /nfs/dbraw/zinc/65/18/42/510651842.db2.gz CLMIYFIMRANDDF-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191544507 510715763 /nfs/dbraw/zinc/71/57/63/510715763.db2.gz YRHYYCDQZDLYCA-UHFFFAOYSA-N -1 3 352.372 2.610 20 5 FFBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000291957134 511405930 /nfs/dbraw/zinc/40/59/30/511405930.db2.gz OYWXZRAGSSGQNN-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2ncc(C3CCOCC3)s2)c1[N+](=O)[O-] ZINC000296213387 511657456 /nfs/dbraw/zinc/65/74/56/511657456.db2.gz UYLKTBCOHBFZCQ-UHFFFAOYSA-N -1 3 365.415 2.873 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCCC(C)C ZINC000328279837 511886658 /nfs/dbraw/zinc/88/66/58/511886658.db2.gz GXSMHZSGZSDBSK-LBPRGKRZSA-N -1 3 372.443 2.875 20 5 FFBDHM O=C(Nc1ccc(N2CCSCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275067563 512031208 /nfs/dbraw/zinc/03/12/08/512031208.db2.gz AJDVICARNPYSGH-UHFFFAOYSA-N -1 3 360.395 2.501 20 5 FFBDHM O=C(c1cc([O-])ccc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000378139778 512609119 /nfs/dbraw/zinc/60/91/19/512609119.db2.gz REAAMIBUIBPSES-UHFFFAOYSA-N -1 3 350.762 2.628 20 5 FFBDHM O=C([O-])c1cnc(NC[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000388460760 512896652 /nfs/dbraw/zinc/89/66/52/512896652.db2.gz BZRFNFIOHPVVRU-CQSZACIVSA-N -1 3 356.382 2.622 20 5 FFBDHM O=C([O-])c1ccnc(NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000388650037 512897058 /nfs/dbraw/zinc/89/70/58/512897058.db2.gz ZEARYVRCBIWGSX-CQSZACIVSA-N -1 3 356.382 2.622 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000389803780 512902235 /nfs/dbraw/zinc/90/22/35/512902235.db2.gz UIPZXLIYCHKAIB-DOMZBBRYSA-N -1 3 356.382 2.620 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)cc1[N+](=O)[O-] ZINC000368852095 513121686 /nfs/dbraw/zinc/12/16/86/513121686.db2.gz CMZRDYZQNCFQCE-UHFFFAOYSA-N -1 3 374.846 2.794 20 5 FFBDHM C[C@H]1CCc2onc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c2C1 ZINC000434523278 513347378 /nfs/dbraw/zinc/34/73/78/513347378.db2.gz NPLSLNJQCYWJCS-JTQLQIEISA-N -1 3 367.365 2.772 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)cc1C ZINC000434765119 513423266 /nfs/dbraw/zinc/42/32/66/513423266.db2.gz PTLGMSZREJLTMN-OAHLLOKOSA-N -1 3 367.471 2.507 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C2CC2)C1 ZINC000425247290 513471589 /nfs/dbraw/zinc/47/15/89/513471589.db2.gz ZJZPONOBFOELTB-QWHCGFSZSA-N -1 3 354.428 2.851 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1cccc([N+](=O)[O-])c1 ZINC000416366953 513734138 /nfs/dbraw/zinc/73/41/38/513734138.db2.gz DKOXIJSEDVARJZ-NWDGAFQWSA-N -1 3 364.427 2.728 20 5 FFBDHM CC1(F)CC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000416489150 513798413 /nfs/dbraw/zinc/79/84/13/513798413.db2.gz PGISUWSSIMJTHX-UHFFFAOYSA-N -1 3 356.297 2.783 20 5 FFBDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000416504586 513806652 /nfs/dbraw/zinc/80/66/52/513806652.db2.gz WFMFMRYBKQFSES-JTQLQIEISA-N -1 3 362.835 2.732 20 5 FFBDHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416539254 513824080 /nfs/dbraw/zinc/82/40/80/513824080.db2.gz RXARBHVXSHCYAR-LBPRGKRZSA-N -1 3 367.402 2.819 20 5 FFBDHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416581839 513846649 /nfs/dbraw/zinc/84/66/49/513846649.db2.gz KUSKCFHOUCBGJY-VIFPVBQESA-N -1 3 370.349 2.565 20 5 FFBDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000431183512 513847976 /nfs/dbraw/zinc/84/79/76/513847976.db2.gz XYUQAIFTGFCQAK-UHFFFAOYSA-N -1 3 370.770 2.836 20 5 FFBDHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CC1 ZINC000416587232 513850996 /nfs/dbraw/zinc/85/09/96/513850996.db2.gz HWLHPRIFILJSBS-MLGOLLRUSA-N -1 3 356.444 2.694 20 5 FFBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)CC(F)(F)F ZINC000416599359 513858432 /nfs/dbraw/zinc/85/84/32/513858432.db2.gz QFXCVSPLKSJNAA-SECBINFHSA-N -1 3 370.349 2.860 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000416645382 513885558 /nfs/dbraw/zinc/88/55/58/513885558.db2.gz JTUNCJHKSBHSEI-NSHDSACASA-N -1 3 350.824 2.588 20 5 FFBDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OC ZINC000451673437 513903521 /nfs/dbraw/zinc/90/35/21/513903521.db2.gz KSFDYYDGGMSBNI-BXKDBHETSA-N -1 3 350.824 2.588 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c1C ZINC000443214739 513903696 /nfs/dbraw/zinc/90/36/96/513903696.db2.gz LRQPJJSOGMTSSY-CQSZACIVSA-N -1 3 362.407 2.883 20 5 FFBDHM COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)c([O-])c1 ZINC000443555083 513993441 /nfs/dbraw/zinc/99/34/41/513993441.db2.gz ANERUNNAUAFLOH-UHFFFAOYSA-N -1 3 369.333 2.875 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCCCCC1 ZINC000451814713 513998943 /nfs/dbraw/zinc/99/89/43/513998943.db2.gz UQVODABEHHMYPC-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000451822357 514004783 /nfs/dbraw/zinc/00/47/83/514004783.db2.gz HAMGOWIELDRLPW-MRXNPFEDSA-N -1 3 368.386 2.574 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1 ZINC000443770745 514039340 /nfs/dbraw/zinc/03/93/40/514039340.db2.gz FCBXAZJRTMCMEQ-AWEZNQCLSA-N -1 3 368.798 2.801 20 5 FFBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436937430 514040983 /nfs/dbraw/zinc/04/09/83/514040983.db2.gz YCDIQGVEKMUXGY-KRWDZBQOSA-N -1 3 355.394 2.867 20 5 FFBDHM CC(C)c1ccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426821198 514050263 /nfs/dbraw/zinc/05/02/63/514050263.db2.gz QSZGRROXLWWUSD-CQSZACIVSA-N -1 3 366.414 2.993 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436959042 514050910 /nfs/dbraw/zinc/05/09/10/514050910.db2.gz LIAMSNQORAISHD-DZGCQCFKSA-N -1 3 355.394 2.866 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436968162 514054639 /nfs/dbraw/zinc/05/46/39/514054639.db2.gz SSFNVSSEJBAXPN-HIFRSBDPSA-N -1 3 355.394 2.866 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000443940986 514077114 /nfs/dbraw/zinc/07/71/14/514077114.db2.gz JWCFGIQUFJWPHK-UHFFFAOYSA-N -1 3 361.423 2.656 20 5 FFBDHM COc1cc(CN[C@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000414562830 514182656 /nfs/dbraw/zinc/18/26/56/514182656.db2.gz BBYMZKBSTXHEAJ-AWEZNQCLSA-N -1 3 361.373 2.817 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000452180662 514235637 /nfs/dbraw/zinc/23/56/37/514235637.db2.gz DXHSGFHGHAIKHK-ZDUSSCGKSA-N -1 3 371.393 2.606 20 5 FFBDHM Cn1c(=O)ccc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000427839860 514330331 /nfs/dbraw/zinc/33/03/31/514330331.db2.gz MHTRCEGODQAPCU-UHFFFAOYSA-N -1 3 363.333 2.575 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000428370311 514459096 /nfs/dbraw/zinc/45/90/96/514459096.db2.gz PKPKRYDBDIGDDI-NSHDSACASA-N -1 3 370.814 2.994 20 5 FFBDHM COc1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000445699652 514506818 /nfs/dbraw/zinc/50/68/18/514506818.db2.gz MPBZOKQBSCJONV-JTQLQIEISA-N -1 3 370.349 2.859 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445726663 514510934 /nfs/dbraw/zinc/51/09/34/514510934.db2.gz UKFFXVIPZQDFNI-JTQLQIEISA-N -1 3 370.349 2.859 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000445749502 514515391 /nfs/dbraw/zinc/51/53/91/514515391.db2.gz HVWXHVDVWTZHTA-AWEZNQCLSA-N -1 3 362.473 2.574 20 5 FFBDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000508036967 514644193 /nfs/dbraw/zinc/64/41/93/514644193.db2.gz IIBBQDMPWJHPMR-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM CC(=O)Nc1ccc(Cl)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000484528290 514676233 /nfs/dbraw/zinc/67/62/33/514676233.db2.gz OUALWRJUZDMFFE-UHFFFAOYSA-N -1 3 350.718 2.560 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000479773062 514719278 /nfs/dbraw/zinc/71/92/78/514719278.db2.gz OYUPHOCFDBYTCS-UHFFFAOYSA-N -1 3 359.292 2.839 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000479773062 514719282 /nfs/dbraw/zinc/71/92/82/514719282.db2.gz OYUPHOCFDBYTCS-UHFFFAOYSA-N -1 3 359.292 2.839 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000479773062 514719288 /nfs/dbraw/zinc/71/92/88/514719288.db2.gz OYUPHOCFDBYTCS-UHFFFAOYSA-N -1 3 359.292 2.839 20 5 FFBDHM CC(=O)Nc1cc(Cl)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484725867 514769400 /nfs/dbraw/zinc/76/94/00/514769400.db2.gz JJYSTBZQFCHZMJ-UHFFFAOYSA-N -1 3 350.718 2.560 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000467080221 514891682 /nfs/dbraw/zinc/89/16/82/514891682.db2.gz DBLJZSZEPBAICH-SECBINFHSA-N -1 3 374.415 2.850 20 5 FFBDHM COC1CCC(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000467085856 514892267 /nfs/dbraw/zinc/89/22/67/514892267.db2.gz ONGFSFOZGCIQQU-UHFFFAOYSA-N -1 3 362.473 2.838 20 5 FFBDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000489684982 514937667 /nfs/dbraw/zinc/93/76/67/514937667.db2.gz KOLHIIJVZKOJNH-QMMMGPOBSA-N -1 3 363.233 2.682 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)c1[N+](=O)[O-] ZINC000480709086 515055126 /nfs/dbraw/zinc/05/51/26/515055126.db2.gz MGEQGBZDQZGKQL-LLVKDONJSA-N -1 3 353.375 2.785 20 5 FFBDHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1csc([N+](=O)[O-])c1 ZINC000467712731 515091169 /nfs/dbraw/zinc/09/11/69/515091169.db2.gz JIBWTBQEYNPFTM-UHFFFAOYSA-N -1 3 350.306 2.999 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)cc1C ZINC000467768559 515108520 /nfs/dbraw/zinc/10/85/20/515108520.db2.gz WDPDEQRLCDZPFI-UHFFFAOYSA-N -1 3 370.456 2.665 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000456344626 515112820 /nfs/dbraw/zinc/11/28/20/515112820.db2.gz RRQSDDIRUROHFG-HNNXBMFYSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)cc1F ZINC000480884784 515125417 /nfs/dbraw/zinc/12/54/17/515125417.db2.gz YDODNCCOUOWOJA-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM COC1(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000480951550 515149782 /nfs/dbraw/zinc/14/97/82/515149782.db2.gz MABQDULDZWCCNN-UHFFFAOYSA-N -1 3 356.444 2.610 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000481044912 515184849 /nfs/dbraw/zinc/18/48/49/515184849.db2.gz FRQRTXKIBUZSAX-HNNXBMFYSA-N -1 3 370.471 2.821 20 5 FFBDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000509581453 515244040 /nfs/dbraw/zinc/24/40/40/515244040.db2.gz AHEGVGZYJQHEMP-UHFFFAOYSA-N -1 3 356.400 2.934 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000490625472 515265044 /nfs/dbraw/zinc/26/50/44/515265044.db2.gz KRWLMFIEFMHAJU-QWRGUYRKSA-N -1 3 360.407 2.847 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CC(=O)c2ccccc21 ZINC000476961999 515266624 /nfs/dbraw/zinc/26/66/24/515266624.db2.gz SNMHJGZYXGOPRQ-HNNXBMFYSA-N -1 3 362.345 2.716 20 5 FFBDHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000509805861 515331388 /nfs/dbraw/zinc/33/13/88/515331388.db2.gz OIPUBKCJYUMOGL-UHFFFAOYSA-N -1 3 364.423 2.823 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000491583133 515456504 /nfs/dbraw/zinc/45/65/04/515456504.db2.gz GPFJJZLLWKEEBF-OCCSQVGLSA-N -1 3 372.418 2.990 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481934154 515519050 /nfs/dbraw/zinc/51/90/50/515519050.db2.gz SWTYLSUNMSYSEL-UHFFFAOYSA-N -1 3 357.292 2.587 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481934154 515519057 /nfs/dbraw/zinc/51/90/57/515519057.db2.gz SWTYLSUNMSYSEL-UHFFFAOYSA-N -1 3 357.292 2.587 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481934154 515519064 /nfs/dbraw/zinc/51/90/64/515519064.db2.gz SWTYLSUNMSYSEL-UHFFFAOYSA-N -1 3 357.292 2.587 20 5 FFBDHM CCc1cnccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000486597050 515555439 /nfs/dbraw/zinc/55/54/39/515555439.db2.gz RGXLTMJQCZXSCM-UHFFFAOYSA-N -1 3 355.803 2.684 20 5 FFBDHM Cc1cc(C)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000493277522 515615659 /nfs/dbraw/zinc/61/56/59/515615659.db2.gz AENOTFLNXJHSKE-UHFFFAOYSA-N -1 3 352.334 2.975 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccncc2F)cc1C ZINC000510642230 515621024 /nfs/dbraw/zinc/62/10/24/515621024.db2.gz AILYCGKKWUKWHE-NSHDSACASA-N -1 3 353.375 2.785 20 5 FFBDHM CN(Cc1ccccc1)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000482252923 515626901 /nfs/dbraw/zinc/62/69/01/515626901.db2.gz DDROTCYPBHAXBM-IBGZPJMESA-N -1 3 369.421 2.941 20 5 FFBDHM CCc1ccc([C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000469052307 515648761 /nfs/dbraw/zinc/64/87/61/515648761.db2.gz VWJQMCRCJGZPFO-SFHVURJKSA-N -1 3 357.410 2.896 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CCCC1 ZINC000469250818 515740897 /nfs/dbraw/zinc/74/08/97/515740897.db2.gz QUFCYJTUVNKJGS-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000469281075 515753105 /nfs/dbraw/zinc/75/31/05/515753105.db2.gz QENWDIMMBGKZJU-UHFFFAOYSA-N -1 3 355.441 2.509 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCCC1(C)C ZINC000469355875 515782390 /nfs/dbraw/zinc/78/23/90/515782390.db2.gz IERQOSYXRFEQLE-CQSZACIVSA-N -1 3 370.427 2.629 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000474186877 515924886 /nfs/dbraw/zinc/92/48/86/515924886.db2.gz AGFWUSFVNMAFEU-HNNXBMFYSA-N -1 3 374.434 2.998 20 5 FFBDHM CO[C@@](C)(C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1 ZINC000483129364 515941100 /nfs/dbraw/zinc/94/11/00/515941100.db2.gz SDEHFGKZWNAOFO-LJQANCHMSA-N -1 3 366.377 2.907 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000478757277 515953125 /nfs/dbraw/zinc/95/31/25/515953125.db2.gz CBDBHFXYKJGOKT-UKRRQHHQSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000478786766 515963113 /nfs/dbraw/zinc/96/31/13/515963113.db2.gz XYUVMHAVVSMSNI-DGCLKSJQSA-N -1 3 362.473 2.837 20 5 FFBDHM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCO)s1 ZINC000497663351 516329577 /nfs/dbraw/zinc/32/95/77/516329577.db2.gz MJSCPWQBVZHGDS-UHFFFAOYSA-N -1 3 368.440 2.906 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(F)cc1 ZINC000512766405 516351373 /nfs/dbraw/zinc/35/13/73/516351373.db2.gz FMBVVXDCKQNIPV-LLVKDONJSA-N -1 3 368.386 2.825 20 5 FFBDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539947171 516367722 /nfs/dbraw/zinc/36/77/22/516367722.db2.gz ODOWDIDGGOGELI-BDJLRTHQSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000517611419 516384442 /nfs/dbraw/zinc/38/44/42/516384442.db2.gz LUVJYWSLLWEOBT-UHFFFAOYSA-N -1 3 374.378 2.590 20 5 FFBDHM Cn1cc(-c2ncccc2NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000554886067 516680388 /nfs/dbraw/zinc/68/03/88/516680388.db2.gz BXNDLMIYMPZVLA-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000540726173 516686923 /nfs/dbraw/zinc/68/69/23/516686923.db2.gz MUPLFALIFDGPMT-WCQYABFASA-N -1 3 360.407 2.606 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC000551694803 516824649 /nfs/dbraw/zinc/82/46/49/516824649.db2.gz ARBOIAJFBYTIFA-UHFFFAOYSA-N -1 3 373.340 2.671 20 5 FFBDHM COc1cc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C ZINC000524943848 516874314 /nfs/dbraw/zinc/87/43/14/516874314.db2.gz BJCYADWKODBTNX-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM Cc1cc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)ccc1[N+](=O)[O-] ZINC000514222546 516911694 /nfs/dbraw/zinc/91/16/94/516911694.db2.gz PGYBPGYZOHSSTD-SFHVURJKSA-N -1 3 354.366 2.570 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C ZINC000541308999 516979446 /nfs/dbraw/zinc/97/94/46/516979446.db2.gz USZSPKSSRNQGAN-ZDUSSCGKSA-N -1 3 362.473 2.659 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c1C ZINC000541311933 516982149 /nfs/dbraw/zinc/98/21/49/516982149.db2.gz BKGBVDJXWXQKFY-GXTWGEPZSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000525461152 517048755 /nfs/dbraw/zinc/04/87/55/517048755.db2.gz GUPZWCHMZIFEFM-ZDUSSCGKSA-N -1 3 364.423 2.994 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC000515520463 517391492 /nfs/dbraw/zinc/39/14/92/517391492.db2.gz DTKYESVVBAPULR-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000515654457 517437048 /nfs/dbraw/zinc/43/70/48/517437048.db2.gz SIEKMXPSMWEEJR-GXFFZTMASA-N -1 3 353.806 2.510 20 5 FFBDHM CC(C)CSCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000533694538 517573360 /nfs/dbraw/zinc/57/33/60/517573360.db2.gz XBCRLJPGBYQTMW-UHFFFAOYSA-N -1 3 352.865 2.916 20 5 FFBDHM COCC1(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCC1 ZINC000549464821 517577175 /nfs/dbraw/zinc/57/71/75/517577175.db2.gz GYDVDTZSMPFJBB-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM CC(=O)c1cccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1[O-] ZINC000560551302 517890438 /nfs/dbraw/zinc/89/04/38/517890438.db2.gz WEEMAUDKTSRLSS-UHFFFAOYSA-N -1 3 366.333 2.941 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000522319321 518076520 /nfs/dbraw/zinc/07/65/20/518076520.db2.gz SUSVRTONFKVTFS-UHFFFAOYSA-N -1 3 357.391 2.930 20 5 FFBDHM Cc1ccc([O-])c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000564719372 518581941 /nfs/dbraw/zinc/58/19/41/518581941.db2.gz KSCDZSVHLUATHQ-UHFFFAOYSA-N -1 3 366.171 2.948 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)cc1C ZINC000576483864 518614884 /nfs/dbraw/zinc/61/48/84/518614884.db2.gz PGIDSXMUROMMBK-OAHLLOKOSA-N -1 3 370.471 2.679 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000567739294 518686366 /nfs/dbraw/zinc/68/63/66/518686366.db2.gz IXHBSYWXYYGTRF-MLGOLLRUSA-N -1 3 370.409 2.929 20 5 FFBDHM C[C@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565024950 518747882 /nfs/dbraw/zinc/74/78/82/518747882.db2.gz OFQWBXKYHZYTKY-GXFFZTMASA-N -1 3 353.806 2.653 20 5 FFBDHM CC(C)(C)c1coc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000577122818 518925622 /nfs/dbraw/zinc/92/56/22/518925622.db2.gz YFBRJBBPCDROBC-UHFFFAOYSA-N -1 3 367.383 2.536 20 5 FFBDHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000589234852 518960530 /nfs/dbraw/zinc/96/05/30/518960530.db2.gz ZYMFGXPXQGSSPD-UHFFFAOYSA-N -1 3 362.407 2.614 20 5 FFBDHM COc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c([O-])c1 ZINC000589530677 519027097 /nfs/dbraw/zinc/02/70/97/519027097.db2.gz XUQOJOUPJLOQDS-UHFFFAOYSA-N -1 3 355.350 2.763 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccncc1 ZINC000590590299 519278356 /nfs/dbraw/zinc/27/83/56/519278356.db2.gz CQWHFODDCQRLES-CYBMUJFWSA-N -1 3 353.375 2.867 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000577889357 519309511 /nfs/dbraw/zinc/30/95/11/519309511.db2.gz AQQRXNJABZGDRQ-CQSZACIVSA-N -1 3 368.455 2.839 20 5 FFBDHM O=C([O-])Cc1ccc(N[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000571884605 519328617 /nfs/dbraw/zinc/32/86/17/519328617.db2.gz UDEXAKGSKVEJKM-INIZCTEOSA-N -1 3 355.394 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000594472842 519982200 /nfs/dbraw/zinc/98/22/00/519982200.db2.gz GRJRXJXGOYQYQV-DZGCQCFKSA-N -1 3 374.846 2.874 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000594783006 520156773 /nfs/dbraw/zinc/15/67/73/520156773.db2.gz YSAXACNUJBBYIR-UHFFFAOYSA-N -1 3 371.365 2.857 20 5 FFBDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594801638 520164454 /nfs/dbraw/zinc/16/44/54/520164454.db2.gz QMKXRNKMCRGAIW-GFCCVEGCSA-N -1 3 362.835 2.732 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000609323075 520277626 /nfs/dbraw/zinc/27/76/26/520277626.db2.gz SCZIEDSTVQMSRM-UHFFFAOYSA-N -1 3 370.358 2.860 20 5 FFBDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000617339744 520438171 /nfs/dbraw/zinc/43/81/71/520438171.db2.gz SDCKNTAUXLZTKO-OAHLLOKOSA-N -1 3 360.366 2.918 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000610109053 520543755 /nfs/dbraw/zinc/54/37/55/520543755.db2.gz VJNIWTKTGDOHBK-UHFFFAOYSA-N -1 3 364.383 2.777 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000610109053 520543766 /nfs/dbraw/zinc/54/37/66/520543766.db2.gz VJNIWTKTGDOHBK-UHFFFAOYSA-N -1 3 364.383 2.777 20 5 FFBDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610136412 520555321 /nfs/dbraw/zinc/55/53/21/520555321.db2.gz OOAVLTXHWHJBBT-NEPJUHHUSA-N -1 3 370.427 2.613 20 5 FFBDHM O=C([N-]c1c(F)cc(F)cc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000610388628 520661977 /nfs/dbraw/zinc/66/19/77/520661977.db2.gz VEGLKPJZKZORIQ-UHFFFAOYSA-N -1 3 363.255 2.845 20 5 FFBDHM O=c1[n-]ccc(N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000596185588 520959948 /nfs/dbraw/zinc/95/99/48/520959948.db2.gz YKRVRBGBJJLCNS-CYBMUJFWSA-N -1 3 366.381 2.865 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC000611117531 520993540 /nfs/dbraw/zinc/99/35/40/520993540.db2.gz SOIHESLOHQBHFB-MRVPVSSYSA-N -1 3 363.233 2.824 20 5 FFBDHM CCOc1cc(N(CC)Cc2c([O-])c(C)ncc2CO)ccc1[N+](=O)[O-] ZINC000599089614 521026916 /nfs/dbraw/zinc/02/69/16/521026916.db2.gz GGQYOFPRHKPTOF-UHFFFAOYSA-N -1 3 361.398 2.921 20 5 FFBDHM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCN(Cc1ccccc1)C2 ZINC000601933059 521033571 /nfs/dbraw/zinc/03/35/71/521033571.db2.gz ARJAYHLDJDYFFP-QGZVFWFLSA-N -1 3 350.378 2.820 20 5 FFBDHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593753361 521194051 /nfs/dbraw/zinc/19/40/51/521194051.db2.gz SUQWHAJQEOJEKI-CQSZACIVSA-N -1 3 362.304 2.703 20 5 FFBDHM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCc2cccc([O-])c21 ZINC000611516617 521198813 /nfs/dbraw/zinc/19/88/13/521198813.db2.gz NVWBVQGYJROBLA-UHFFFAOYSA-N -1 3 370.361 2.594 20 5 FFBDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc1 ZINC000599410260 521203769 /nfs/dbraw/zinc/20/37/69/521203769.db2.gz GNRUNOLSAQARTQ-UHFFFAOYSA-N -1 3 367.402 2.693 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599520278 521275101 /nfs/dbraw/zinc/27/51/01/521275101.db2.gz IKKZRCMDKNLRES-SNVBAGLBSA-N -1 3 358.391 2.601 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000619486697 521593621 /nfs/dbraw/zinc/59/36/21/521593621.db2.gz QIRLRUISLZPDEW-KGLIPLIRSA-N -1 3 362.407 2.513 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738055168 598835044 /nfs/dbraw/zinc/83/50/44/598835044.db2.gz SLXPIGVVZNXAPK-UHFFFAOYSA-N -1 3 366.381 2.528 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738055168 598835047 /nfs/dbraw/zinc/83/50/47/598835047.db2.gz SLXPIGVVZNXAPK-UHFFFAOYSA-N -1 3 366.381 2.528 20 5 FFBDHM COc1ccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821839369 599075710 /nfs/dbraw/zinc/07/57/10/599075710.db2.gz URDFDMXVCYLFBM-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821839369 599075712 /nfs/dbraw/zinc/07/57/12/599075712.db2.gz URDFDMXVCYLFBM-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccccc1O[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821904588 599077447 /nfs/dbraw/zinc/07/74/47/599077447.db2.gz XWKGRTVTJYXPPX-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccccc1O[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821904588 599077450 /nfs/dbraw/zinc/07/74/50/599077450.db2.gz XWKGRTVTJYXPPX-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCC(F)(F)F)cc(-c3nnn[n-]3)c2c1 ZINC000823645071 599103318 /nfs/dbraw/zinc/10/33/18/599103318.db2.gz NJXPCJFUDYGJEA-UHFFFAOYSA-N -1 3 353.264 2.687 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCC(F)(F)F)cc(-c3nn[n-]n3)c2c1 ZINC000823645071 599103321 /nfs/dbraw/zinc/10/33/21/599103321.db2.gz NJXPCJFUDYGJEA-UHFFFAOYSA-N -1 3 353.264 2.687 20 5 FFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000736678974 599184835 /nfs/dbraw/zinc/18/48/35/599184835.db2.gz HYIMVXGRMDQNEO-UHFFFAOYSA-N -1 3 358.383 2.580 20 5 FFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000736678974 599184837 /nfs/dbraw/zinc/18/48/37/599184837.db2.gz HYIMVXGRMDQNEO-UHFFFAOYSA-N -1 3 358.383 2.580 20 5 FFBDHM CN(Cc1c(F)cccc1Cl)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821607342 599215103 /nfs/dbraw/zinc/21/51/03/599215103.db2.gz KWYSZDWPPNODLV-UHFFFAOYSA-N -1 3 363.740 2.599 20 5 FFBDHM CN(Cc1c(F)cccc1Cl)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821607342 599215105 /nfs/dbraw/zinc/21/51/05/599215105.db2.gz KWYSZDWPPNODLV-UHFFFAOYSA-N -1 3 363.740 2.599 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@H](c2ccccc2)c2ccccn2)c(-c2nnn[n-]2)c1 ZINC000823651964 599285645 /nfs/dbraw/zinc/28/56/45/599285645.db2.gz UBIYEIHIKJBMOC-MRXNPFEDSA-N -1 3 374.364 2.766 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@H](c2ccccc2)c2ccccn2)c(-c2nn[n-]n2)c1 ZINC000823651964 599285647 /nfs/dbraw/zinc/28/56/47/599285647.db2.gz UBIYEIHIKJBMOC-MRXNPFEDSA-N -1 3 374.364 2.766 20 5 FFBDHM CN(Cc1ccc(F)cc1Cl)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736819479 598425782 /nfs/dbraw/zinc/42/57/82/598425782.db2.gz MLBNRWIBYPLBMV-UHFFFAOYSA-N -1 3 363.740 2.599 20 5 FFBDHM CN(Cc1ccc(F)cc1Cl)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736819479 598425784 /nfs/dbraw/zinc/42/57/84/598425784.db2.gz MLBNRWIBYPLBMV-UHFFFAOYSA-N -1 3 363.740 2.599 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000738358215 598609204 /nfs/dbraw/zinc/60/92/04/598609204.db2.gz BQKMBISAKLMSJK-UHFFFAOYSA-N -1 3 363.337 2.610 20 5 FFBDHM COc1cccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737128697 598795779 /nfs/dbraw/zinc/79/57/79/598795779.db2.gz FUDCQTQFQREKTB-LLVKDONJSA-N -1 3 354.370 2.827 20 5 FFBDHM COc1cccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737128697 598795780 /nfs/dbraw/zinc/79/57/80/598795780.db2.gz FUDCQTQFQREKTB-LLVKDONJSA-N -1 3 354.370 2.827 20 5 FFBDHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822284715 599518655 /nfs/dbraw/zinc/51/86/55/599518655.db2.gz XIZXZJCUSLOZHF-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822284715 599518657 /nfs/dbraw/zinc/51/86/57/599518657.db2.gz XIZXZJCUSLOZHF-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397080 599634295 /nfs/dbraw/zinc/63/42/95/599634295.db2.gz LQGVJXLUCBZCNI-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397080 599634296 /nfs/dbraw/zinc/63/42/96/599634296.db2.gz LQGVJXLUCBZCNI-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000826254393 607405945 /nfs/dbraw/zinc/40/59/45/607405945.db2.gz IVPUWQUQQQZXLP-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000826254393 607405946 /nfs/dbraw/zinc/40/59/46/607405946.db2.gz IVPUWQUQQQZXLP-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc([N+](=O)[O-])c1 ZINC000826261320 607407490 /nfs/dbraw/zinc/40/74/90/607407490.db2.gz AFHFKYLKNWVQGJ-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc([N+](=O)[O-])c1 ZINC000826261320 607407492 /nfs/dbraw/zinc/40/74/92/607407492.db2.gz AFHFKYLKNWVQGJ-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1nn(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000833921231 605322463 /nfs/dbraw/zinc/32/24/63/605322463.db2.gz RPTUEJMNBFEGLD-APHBMKBZSA-N -1 3 373.413 2.579 20 5 FFBDHM CCc1ccc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821475870 606100250 /nfs/dbraw/zinc/10/02/50/606100250.db2.gz BQVSEXRSVMNRKV-LLVKDONJSA-N -1 3 366.381 2.828 20 5 FFBDHM CCc1ccc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821475870 606100253 /nfs/dbraw/zinc/10/02/53/606100253.db2.gz BQVSEXRSVMNRKV-LLVKDONJSA-N -1 3 366.381 2.828 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821765445 606126512 /nfs/dbraw/zinc/12/65/12/606126512.db2.gz DBLWKXWGOLJDIT-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821765445 606126513 /nfs/dbraw/zinc/12/65/13/606126513.db2.gz DBLWKXWGOLJDIT-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820555562 606325070 /nfs/dbraw/zinc/32/50/70/606325070.db2.gz MVHWMYKADLBFOL-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820555562 606325072 /nfs/dbraw/zinc/32/50/72/606325072.db2.gz MVHWMYKADLBFOL-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820508717 606352985 /nfs/dbraw/zinc/35/29/85/606352985.db2.gz VZHBIRHUWWRRFD-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820508717 606352986 /nfs/dbraw/zinc/35/29/86/606352986.db2.gz VZHBIRHUWWRRFD-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM CO[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821679161 606609529 /nfs/dbraw/zinc/60/95/29/606609529.db2.gz YAKIRWOUIRZINF-KBPBESRZSA-N -1 3 369.385 2.549 20 5 FFBDHM CO[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1(C)C ZINC000821679161 606609530 /nfs/dbraw/zinc/60/95/30/606609530.db2.gz YAKIRWOUIRZINF-KBPBESRZSA-N -1 3 369.385 2.549 20 5 FFBDHM CCOCCC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC1 ZINC000821373873 606721221 /nfs/dbraw/zinc/72/12/21/606721221.db2.gz NBICIOLLBRYVKT-UHFFFAOYSA-N -1 3 361.406 2.569 20 5 FFBDHM CCOCCC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC1 ZINC000821373873 606721223 /nfs/dbraw/zinc/72/12/23/606721223.db2.gz NBICIOLLBRYVKT-UHFFFAOYSA-N -1 3 361.406 2.569 20 5 FFBDHM O=[N+]([O-])c1c(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc2sccn21 ZINC000823629901 606790585 /nfs/dbraw/zinc/79/05/85/606790585.db2.gz LHENDHQFEAPYLL-UHFFFAOYSA-N -1 3 363.746 2.930 20 5 FFBDHM O=[N+]([O-])c1c(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc2sccn21 ZINC000823629901 606790587 /nfs/dbraw/zinc/79/05/87/606790587.db2.gz LHENDHQFEAPYLL-UHFFFAOYSA-N -1 3 363.746 2.930 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820236154 606946270 /nfs/dbraw/zinc/94/62/70/606946270.db2.gz YJRKMMMYEVMKEX-MEDUHNTESA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820236154 606946271 /nfs/dbraw/zinc/94/62/71/606946271.db2.gz YJRKMMMYEVMKEX-MEDUHNTESA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820232469 606946399 /nfs/dbraw/zinc/94/63/99/606946399.db2.gz GGSFRGWNCYOHNR-ZBEGNZNMSA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820232469 606946400 /nfs/dbraw/zinc/94/64/00/606946400.db2.gz GGSFRGWNCYOHNR-ZBEGNZNMSA-N -1 3 354.370 2.699 20 5 FFBDHM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1-c1nnn[n-]1 ZINC000825826152 607789906 /nfs/dbraw/zinc/78/99/06/607789906.db2.gz ZBRBFMLDXYWYBL-UHFFFAOYSA-N -1 3 364.321 2.798 20 5 FFBDHM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccccc1-c1nn[n-]n1 ZINC000825826152 607789907 /nfs/dbraw/zinc/78/99/07/607789907.db2.gz ZBRBFMLDXYWYBL-UHFFFAOYSA-N -1 3 364.321 2.798 20 5 FFBDHM CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825381040 607796913 /nfs/dbraw/zinc/79/69/13/607796913.db2.gz YMXGVIMGXQDXBW-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825381040 607796914 /nfs/dbraw/zinc/79/69/14/607796914.db2.gz YMXGVIMGXQDXBW-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1cccc(Cl)c1 ZINC000826499496 607876848 /nfs/dbraw/zinc/87/68/48/607876848.db2.gz KVINQLAVHPHGGY-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1cccc(Cl)c1 ZINC000826499496 607876849 /nfs/dbraw/zinc/87/68/49/607876849.db2.gz KVINQLAVHPHGGY-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM CC(C)(C)OC(=O)CCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824099453 608295277 /nfs/dbraw/zinc/29/52/77/608295277.db2.gz GMVFLWSQCBMCFX-UHFFFAOYSA-N -1 3 362.390 2.699 20 5 FFBDHM CC(C)(C)OC(=O)CCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824099453 608295279 /nfs/dbraw/zinc/29/52/79/608295279.db2.gz GMVFLWSQCBMCFX-UHFFFAOYSA-N -1 3 362.390 2.699 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826212309 609142001 /nfs/dbraw/zinc/14/20/01/609142001.db2.gz MNZVUSMJNBONIA-JTQLQIEISA-N -1 3 372.360 2.773 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826212309 609142002 /nfs/dbraw/zinc/14/20/02/609142002.db2.gz MNZVUSMJNBONIA-JTQLQIEISA-N -1 3 372.360 2.773 20 5 FFBDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824907980 609576075 /nfs/dbraw/zinc/57/60/75/609576075.db2.gz LVKAPOBAHQZVBN-BDAKNGLRSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824907980 609576077 /nfs/dbraw/zinc/57/60/77/609576077.db2.gz LVKAPOBAHQZVBN-BDAKNGLRSA-N -1 3 356.308 2.942 20 5 FFBDHM COc1ccc2c(c1)CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000826212171 609590723 /nfs/dbraw/zinc/59/07/23/609590723.db2.gz IMNOAYXOZDMXHK-ZDUSSCGKSA-N -1 3 366.381 2.753 20 5 FFBDHM COc1ccc2c(c1)CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000826212171 609590724 /nfs/dbraw/zinc/59/07/24/609590724.db2.gz IMNOAYXOZDMXHK-ZDUSSCGKSA-N -1 3 366.381 2.753 20 5 FFBDHM COC(=O)Nc1ccc(C(=O)OCc2csc([N+](=O)[O-])c2)cc1[O-] ZINC000745654261 735435473 /nfs/dbraw/zinc/43/54/73/735435473.db2.gz VOKJFRVWERIFHM-UHFFFAOYSA-N -1 3 352.324 2.897 20 5 FFBDHM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000121668117 728634973 /nfs/dbraw/zinc/63/49/73/728634973.db2.gz KXNRJZHEEFBJDD-UHFFFAOYSA-N -1 3 351.344 2.786 20 5 FFBDHM Cc1ccnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000815073008 741895348 /nfs/dbraw/zinc/89/53/48/741895348.db2.gz UYQSQIKXLJQOSP-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC1CCCC1 ZINC000778025064 738344563 /nfs/dbraw/zinc/34/45/63/738344563.db2.gz UWMUJIDSKVVLDJ-JTQLQIEISA-N -1 3 356.325 2.677 20 5 FFBDHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805109645 740939936 /nfs/dbraw/zinc/93/99/36/740939936.db2.gz GSDJBELBGOBQRB-LLVKDONJSA-N -1 3 363.233 2.824 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808341857 741216374 /nfs/dbraw/zinc/21/63/74/741216374.db2.gz ICJPXEKISBVSFV-BMIGLBTASA-N -1 3 370.814 2.649 20 5 FFBDHM O=C([N-]CC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000852007181 749749287 /nfs/dbraw/zinc/74/92/87/749749287.db2.gz KLIWUOOZBPJXEY-UHFFFAOYSA-N -1 3 363.311 2.624 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC001211902856 979357659 /nfs/dbraw/zinc/35/76/59/979357659.db2.gz GZITUYCSRHBCAQ-NWDGAFQWSA-N -1 3 362.473 2.694 20 5 FFBDHM CCN1CCN(c2cccc(Nc3nc(C(=O)[O-])ccc3[N+](=O)[O-])c2)CC1 ZINC001596442876 984140733 /nfs/dbraw/zinc/14/07/33/984140733.db2.gz UYRXIZOBOTWFOS-UHFFFAOYSA-N -1 3 371.397 2.574 20 5 FFBDHM C[C@@](NCCC(=O)Nc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593262610 994556104 /nfs/dbraw/zinc/55/61/04/994556104.db2.gz ULQCVTOGYKGTGX-SFHVURJKSA-N -1 3 357.366 2.513 20 5 FFBDHM COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598786654 996035225 /nfs/dbraw/zinc/03/52/25/996035225.db2.gz DNRYRMRAOQXXPP-SUMWQHHRSA-N -1 3 350.371 2.505 20 5 FFBDHM COc1c([O-])ccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1[N+](=O)[O-] ZINC001184428471 1002613217 /nfs/dbraw/zinc/61/32/17/1002613217.db2.gz MEJNLBFRXYZOAE-LLVKDONJSA-N -1 3 361.402 2.601 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOCC12CCCC2 ZINC001196072175 1003661731 /nfs/dbraw/zinc/66/17/31/1003661731.db2.gz ZUWAUNRPLDHPDS-AWEZNQCLSA-N -1 3 374.846 2.876 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129729265 1003751099 /nfs/dbraw/zinc/75/10/99/1003751099.db2.gz SRMUFAHTTPNJGI-BAQGIRSFSA-N -1 3 354.301 2.566 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129729265 1003751101 /nfs/dbraw/zinc/75/11/01/1003751101.db2.gz SRMUFAHTTPNJGI-BAQGIRSFSA-N -1 3 354.301 2.566 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C)cn2)c([N+](=O)[O-])s1 ZINC001192543754 1004203221 /nfs/dbraw/zinc/20/32/21/1004203221.db2.gz OWSRMYWYIFWHDU-UHFFFAOYSA-N -1 3 369.468 2.924 20 5 FFBDHM O=c1[n-]ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1[N+](=O)[O-] ZINC000853393102 1006383626 /nfs/dbraw/zinc/38/36/26/1006383626.db2.gz UQGFQTCTOYCKTL-UHFFFAOYSA-N -1 3 360.326 2.651 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853474196 1006403090 /nfs/dbraw/zinc/40/30/90/1006403090.db2.gz QSZHMBFJELXHPZ-NEPJUHHUSA-N -1 3 364.402 2.674 20 5 FFBDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000853712210 1006512767 /nfs/dbraw/zinc/51/27/67/1006512767.db2.gz GTJWYNAZUMWLCM-RYUDHWBXSA-N -1 3 364.402 2.943 20 5 FFBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])nc1C ZINC001191149852 1007904266 /nfs/dbraw/zinc/90/42/66/1007904266.db2.gz KLMMYWFPYDKJCM-UHFFFAOYSA-N -1 3 372.406 2.633 20 5 FFBDHM C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001218029362 1032961409 /nfs/dbraw/zinc/96/14/09/1032961409.db2.gz CDABCUBHFQXCCJ-HZMBPMFUSA-N -1 3 371.389 2.830 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1C ZINC001118381941 1022204104 /nfs/dbraw/zinc/20/41/04/1022204104.db2.gz NSABJHLJXXPQLL-GRYCIOLGSA-N -1 3 360.382 2.924 20 5 FFBDHM O=C([N-]c1nnc2ccc(Cl)nn21)c1c(Cl)cccc1[N+](=O)[O-] ZINC001124723103 1024367145 /nfs/dbraw/zinc/36/71/45/1024367145.db2.gz GRAQAMHWGLHAAZ-UHFFFAOYSA-N -1 3 353.125 2.592 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccccc2-n2ccnc2)no1 ZINC001212935890 1027435572 /nfs/dbraw/zinc/43/55/72/1027435572.db2.gz SQUYOOFJNHDJRH-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[n-]n1 ZINC001157099547 1029465854 /nfs/dbraw/zinc/46/58/54/1029465854.db2.gz BHDSEUZCQLMHRW-UHFFFAOYSA-N -1 3 373.369 2.710 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[n-]1 ZINC001157099547 1029465858 /nfs/dbraw/zinc/46/58/58/1029465858.db2.gz BHDSEUZCQLMHRW-UHFFFAOYSA-N -1 3 373.369 2.710 20 5 FFBDHM O=C(Nc1ccc(SC(F)(F)F)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001142011980 1029891696 /nfs/dbraw/zinc/89/16/96/1029891696.db2.gz FDBXLFJOXXXRQC-UHFFFAOYSA-N -1 3 360.273 2.955 20 5 FFBDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664516 1034359337 /nfs/dbraw/zinc/35/93/37/1034359337.db2.gz PQBGEEACRGHBMO-HOSYDEDBSA-N -1 3 351.359 2.615 20 5 FFBDHM CC[C@@H](O)C(=O)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227700451 1035683738 /nfs/dbraw/zinc/68/37/38/1035683738.db2.gz UJQIVKGMWXWMNC-CQSZACIVSA-N -1 3 359.334 2.516 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC001227741134 1035709222 /nfs/dbraw/zinc/70/92/22/1035709222.db2.gz ICCXQGISBGZVKW-GWCFXTLKSA-N -1 3 366.349 2.807 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC001227741134 1035709239 /nfs/dbraw/zinc/70/92/39/1035709239.db2.gz ICCXQGISBGZVKW-GWCFXTLKSA-N -1 3 366.349 2.807 20 5 FFBDHM COC(=O)[C@H](Cc1ccccc1)Oc1nc2cc(C)c([N+](=O)[O-])cc2[n-]1 ZINC001228675074 1036247650 /nfs/dbraw/zinc/24/76/50/1036247650.db2.gz NNYNWXRPYHVTPF-INIZCTEOSA-N -1 3 355.350 2.943 20 5 FFBDHM COC(=O)[C@H](Cc1ccccc1)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675074 1036247665 /nfs/dbraw/zinc/24/76/65/1036247665.db2.gz NNYNWXRPYHVTPF-INIZCTEOSA-N -1 3 355.350 2.943 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC23CN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228686600 1036257595 /nfs/dbraw/zinc/25/75/95/1036257595.db2.gz OZPNZCFGQKTFAD-LBPRGKRZSA-N -1 3 365.386 2.782 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c1[N+](=O)[O-] ZINC001228687683 1036258295 /nfs/dbraw/zinc/25/82/95/1036258295.db2.gz ZOQOXMVKCWLFDI-QMMMGPOBSA-N -1 3 363.282 2.781 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2nc3c(cccc3[O-])[nH]2)C1 ZINC001234446382 1037041697 /nfs/dbraw/zinc/04/16/97/1037041697.db2.gz GRTJNADCJQWIRU-JTQLQIEISA-N -1 3 358.329 2.974 20 5 FFBDHM CN1CCN(c2ccc3[nH]c(-c4ccc([N+](=O)[O-])c([O-])c4)nc3c2)CC1 ZINC001250880308 1038774451 /nfs/dbraw/zinc/77/44/51/1038774451.db2.gz IEFVQIGZQFDKEC-UHFFFAOYSA-N -1 3 353.382 2.596 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(Cc3ccc(F)cc3)o2)c1Br ZINC001251914002 1039349726 /nfs/dbraw/zinc/34/97/26/1039349726.db2.gz PVHFQWZYLINBBD-UHFFFAOYSA-N -1 3 368.122 2.860 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(Cc3ccc(F)cc3)o2)c1Br ZINC001251914002 1039349739 /nfs/dbraw/zinc/34/97/39/1039349739.db2.gz PVHFQWZYLINBBD-UHFFFAOYSA-N -1 3 368.122 2.860 20 5 FFBDHM Cc1nc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC001210394123 1039520601 /nfs/dbraw/zinc/52/06/01/1039520601.db2.gz OTHVLHHNONZBGK-PHIMTYICSA-N -1 3 359.386 2.756 20 5 FFBDHM C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001254571638 1040808740 /nfs/dbraw/zinc/80/87/40/1040808740.db2.gz ZJRXLVHEUVMQJW-OAHLLOKOSA-N -1 3 369.421 2.689 20 5 FFBDHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC001309819237 1043540806 /nfs/dbraw/zinc/54/08/06/1043540806.db2.gz SJZYLVJOAHNSJF-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304133479 1051551734 /nfs/dbraw/zinc/55/17/34/1051551734.db2.gz WZAZWLDGZRVTOE-ZCFIWIBFSA-N -1 3 361.255 2.670 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001309203033 1052573525 /nfs/dbraw/zinc/57/35/25/1052573525.db2.gz ZAMSKKYHUUMMGB-UKRRQHHQSA-N -1 3 364.398 2.952 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC001351559608 1054900605 /nfs/dbraw/zinc/90/06/05/1054900605.db2.gz UISUYDKLZVMWOO-UHFFFAOYSA-N -1 3 365.187 2.677 20 5 FFBDHM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000618383299 1056546575 /nfs/dbraw/zinc/54/65/75/1056546575.db2.gz YOZLGLAATNBIHU-NSHDSACASA-N -1 3 353.338 2.754 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c([O-])c(OC)c1 ZINC001456749451 1060187806 /nfs/dbraw/zinc/18/78/06/1060187806.db2.gz RIMHSHAUYYQNHX-UHFFFAOYSA-N -1 3 374.349 2.965 20 5 FFBDHM COc1c([O-])ccc(CNc2cn(C)nc2-c2ccccn2)c1[N+](=O)[O-] ZINC001462083269 1061498680 /nfs/dbraw/zinc/49/86/80/1061498680.db2.gz UEBGMHJNMSDYKT-UHFFFAOYSA-N -1 3 355.354 2.717 20 5 FFBDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C1CC1 ZINC001463886753 1062314927 /nfs/dbraw/zinc/31/49/27/1062314927.db2.gz ZDTJGOPXVJUXCG-BONVTDFDSA-N -1 3 360.407 2.524 20 5 FFBDHM Cc1cnc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c(C)c1 ZINC001464474732 1062634344 /nfs/dbraw/zinc/63/43/44/1062634344.db2.gz HPPBDAXSDVSAQB-UHFFFAOYSA-N -1 3 353.375 2.533 20 5 FFBDHM Cc1[n-]ncc1S(=O)(=O)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001464622171 1062720954 /nfs/dbraw/zinc/72/09/54/1062720954.db2.gz GZLFPEOZUJLGFP-UHFFFAOYSA-N -1 3 352.155 2.701 20 5 FFBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCC[C@H]1c1cccs1 ZINC001525239121 1063211828 /nfs/dbraw/zinc/21/18/28/1063211828.db2.gz FVUNZAGEIPRUDL-NSHDSACASA-N -1 3 372.410 2.894 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001442674496 1063555856 /nfs/dbraw/zinc/55/58/56/1063555856.db2.gz IEFLZRKHSZURKF-CABCVRRESA-N -1 3 350.338 2.517 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001442674496 1063555870 /nfs/dbraw/zinc/55/58/70/1063555870.db2.gz IEFLZRKHSZURKF-CABCVRRESA-N -1 3 350.338 2.517 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001469697106 1064193981 /nfs/dbraw/zinc/19/39/81/1064193981.db2.gz BAJOUWXYNJMXMM-SNVBAGLBSA-N -1 3 362.361 2.693 20 5 FFBDHM CCC(=O)c1ccc(N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001472877654 1065164144 /nfs/dbraw/zinc/16/41/44/1065164144.db2.gz ZSQPQSPCNHZQFB-CYBMUJFWSA-N -1 3 371.397 2.682 20 5 FFBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC001473218895 1065222444 /nfs/dbraw/zinc/22/24/44/1065222444.db2.gz YTLZLUQGTAXQHR-UHFFFAOYSA-N -1 3 352.350 2.909 20 5 FFBDHM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1C)c1cccc([N+](=O)[O-])c1 ZINC001578423870 1078472257 /nfs/dbraw/zinc/47/22/57/1078472257.db2.gz UVCHRLRZCXHHBP-MRXNPFEDSA-N -1 3 366.381 2.964 20 5 FFBDHM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1C)c1cccc([N+](=O)[O-])c1 ZINC001578423870 1078472261 /nfs/dbraw/zinc/47/22/61/1078472261.db2.gz UVCHRLRZCXHHBP-MRXNPFEDSA-N -1 3 366.381 2.964 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001580904943 1078890072 /nfs/dbraw/zinc/89/00/72/1078890072.db2.gz XAXUROGXEAUMOC-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001580904943 1078890077 /nfs/dbraw/zinc/89/00/77/1078890077.db2.gz XAXUROGXEAUMOC-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1ccc2ncc(-c3nnn[n-]3)c(OCc3cccnc3[N+](=O)[O-])c2c1 ZINC001581216344 1078941202 /nfs/dbraw/zinc/94/12/02/1078941202.db2.gz QYOLOJFJWICUEX-UHFFFAOYSA-N -1 3 363.337 2.606 20 5 FFBDHM Cc1ccc2ncc(-c3nn[n-]n3)c(OCc3cccnc3[N+](=O)[O-])c2c1 ZINC001581216344 1078941207 /nfs/dbraw/zinc/94/12/07/1078941207.db2.gz QYOLOJFJWICUEX-UHFFFAOYSA-N -1 3 363.337 2.606 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(Oc2cnc3c(F)cccc3c2)c1-c1nnn[n-]1 ZINC001581909796 1079013798 /nfs/dbraw/zinc/01/37/98/1079013798.db2.gz VQLQJBHIXPHIAX-UHFFFAOYSA-N -1 3 367.300 2.837 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(Oc2cnc3c(F)cccc3c2)c1-c1nn[n-]n1 ZINC001581909796 1079013804 /nfs/dbraw/zinc/01/38/04/1079013804.db2.gz VQLQJBHIXPHIAX-UHFFFAOYSA-N -1 3 367.300 2.837 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001582690240 1079099172 /nfs/dbraw/zinc/09/91/72/1079099172.db2.gz VPDZKGQNMLTTCH-UHFFFAOYSA-N -1 3 370.756 2.584 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001582690240 1079099176 /nfs/dbraw/zinc/09/91/76/1079099176.db2.gz VPDZKGQNMLTTCH-UHFFFAOYSA-N -1 3 370.756 2.584 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3cccc(Cl)c3C2)c(-c2nnn[n-]2)c1 ZINC001582803942 1079110283 /nfs/dbraw/zinc/11/02/83/1079110283.db2.gz DKIVKOYQOYCNFC-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3cccc(Cl)c3C2)c(-c2nn[n-]n2)c1 ZINC001582803942 1079110288 /nfs/dbraw/zinc/11/02/88/1079110288.db2.gz DKIVKOYQOYCNFC-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM CCOC(=O)Cc1cnc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC001585221380 1079440397 /nfs/dbraw/zinc/44/03/97/1079440397.db2.gz UYBOVTUGCAMJFZ-UHFFFAOYSA-N -1 3 353.331 2.548 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)c([N+](=O)[O-])s1 ZINC001561638549 1076401698 /nfs/dbraw/zinc/40/16/98/1076401698.db2.gz KTTYWGQLKMUDBP-CMPLNLGQSA-N -1 3 356.400 2.938 20 5 FFBDHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001586484153 1079636883 /nfs/dbraw/zinc/63/68/83/1079636883.db2.gz LZHWZUGJTZKRMU-KBXCAEBGSA-N -1 3 369.421 2.941 20 5 FFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1-c1nnn[n-]1 ZINC001586503514 1079640987 /nfs/dbraw/zinc/64/09/87/1079640987.db2.gz ZIDSNYCDKSVTDF-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1ccccc1-c1nn[n-]n1 ZINC001586503514 1079640989 /nfs/dbraw/zinc/64/09/89/1079640989.db2.gz ZIDSNYCDKSVTDF-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589016153 1080306061 /nfs/dbraw/zinc/30/60/61/1080306061.db2.gz YWRQFHLQEPBBEU-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589016153 1080306067 /nfs/dbraw/zinc/30/60/67/1080306067.db2.gz YWRQFHLQEPBBEU-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM CC(C)(C)Oc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589207480 1080419506 /nfs/dbraw/zinc/41/95/06/1080419506.db2.gz BUVAZXOSTDPZMS-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589207480 1080419509 /nfs/dbraw/zinc/41/95/09/1080419509.db2.gz BUVAZXOSTDPZMS-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001589504743 1080570243 /nfs/dbraw/zinc/57/02/43/1080570243.db2.gz YYRRFZDPZWVEDR-RKDXNWHRSA-N -1 3 350.766 2.659 20 5 FFBDHM CC(C)[C@H]1C[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001589504743 1080570249 /nfs/dbraw/zinc/57/02/49/1080570249.db2.gz YYRRFZDPZWVEDR-RKDXNWHRSA-N -1 3 350.766 2.659 20 5 FFBDHM C[C@H](C[C@H](O)c1cccs1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589801054 1080756206 /nfs/dbraw/zinc/75/62/06/1080756206.db2.gz GYQYLNKOUVNPEQ-SKDRFNHKSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](C[C@H](O)c1cccs1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589801054 1080756212 /nfs/dbraw/zinc/75/62/12/1080756212.db2.gz GYQYLNKOUVNPEQ-SKDRFNHKSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001589845890 1080797550 /nfs/dbraw/zinc/79/75/50/1080797550.db2.gz AHMRSWWJWQDYOR-LLVKDONJSA-N -1 3 353.386 2.597 20 5 FFBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001589845890 1080797557 /nfs/dbraw/zinc/79/75/57/1080797557.db2.gz AHMRSWWJWQDYOR-LLVKDONJSA-N -1 3 353.386 2.597 20 5 FFBDHM C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589920242 1080860454 /nfs/dbraw/zinc/86/04/54/1080860454.db2.gz WYAGUOHTIDVDTQ-NWDGAFQWSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589920242 1080860459 /nfs/dbraw/zinc/86/04/59/1080860459.db2.gz WYAGUOHTIDVDTQ-NWDGAFQWSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H](O)C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589999618 1080929381 /nfs/dbraw/zinc/92/93/81/1080929381.db2.gz YJHQYMONPLYLLC-OCCSQVGLSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@@H](O)C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589999618 1080929385 /nfs/dbraw/zinc/92/93/85/1080929385.db2.gz YJHQYMONPLYLLC-OCCSQVGLSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001590008861 1080935256 /nfs/dbraw/zinc/93/52/56/1080935256.db2.gz SPUGKVVWRGITBQ-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001590008861 1080935262 /nfs/dbraw/zinc/93/52/62/1080935262.db2.gz SPUGKVVWRGITBQ-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM CC1(C)CO[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590111748 1081021510 /nfs/dbraw/zinc/02/15/10/1081021510.db2.gz SZDHQKMNBNLWLF-NSHDSACASA-N -1 3 369.385 2.550 20 5 FFBDHM CC1(C)CO[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590111748 1081021516 /nfs/dbraw/zinc/02/15/16/1081021516.db2.gz SZDHQKMNBNLWLF-NSHDSACASA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590214347 1081096461 /nfs/dbraw/zinc/09/64/61/1081096461.db2.gz MCEOOGFXGBADCV-YGRLFVJLSA-N -1 3 369.360 2.897 20 5 FFBDHM C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590214347 1081096467 /nfs/dbraw/zinc/09/64/67/1081096467.db2.gz MCEOOGFXGBADCV-YGRLFVJLSA-N -1 3 369.360 2.897 20 5 FFBDHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000118438404 250385135 /nfs/dbraw/zinc/38/51/35/250385135.db2.gz GCBHUHOLERCPKT-DOMZBBRYSA-N -1 3 356.444 2.714 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163341070 251185209 /nfs/dbraw/zinc/18/52/09/251185209.db2.gz WOYLRBOMYGEICL-GOEBONIOSA-N -1 3 362.407 2.793 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)c1 ZINC000272437143 252037911 /nfs/dbraw/zinc/03/79/11/252037911.db2.gz HTZMAIPDEWHWAY-GHMZBOCLSA-N -1 3 362.835 2.650 20 5 FFBDHM C[C@H](CON=C([O-])Nc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000273512169 252322904 /nfs/dbraw/zinc/32/29/04/252322904.db2.gz XAORHBBDZVWKAT-SECBINFHSA-N -1 3 372.353 2.700 20 5 FFBDHM C[C@H](CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000273512169 252322906 /nfs/dbraw/zinc/32/29/06/252322906.db2.gz XAORHBBDZVWKAT-SECBINFHSA-N -1 3 372.353 2.700 20 5 FFBDHM O=C([N-]c1cc(F)c(F)cc1N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000286764108 257053890 /nfs/dbraw/zinc/05/38/90/257053890.db2.gz PYJMDPFHIHSHMX-UHFFFAOYSA-N -1 3 353.281 2.555 20 5 FFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(CCCO)c2)s1 ZINC000302074929 258086162 /nfs/dbraw/zinc/08/61/62/258086162.db2.gz INTUBMPINHGTFK-UHFFFAOYSA-N -1 3 356.425 2.728 20 5 FFBDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000331204448 258179654 /nfs/dbraw/zinc/17/96/54/258179654.db2.gz OFGHHFVSHKYHFM-JSGCOSHPSA-N -1 3 374.484 2.946 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000032405974 506250391 /nfs/dbraw/zinc/25/03/91/506250391.db2.gz BJWAPWSTRVEIEM-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000065795402 506367944 /nfs/dbraw/zinc/36/79/44/506367944.db2.gz VVHHIIKWTRDMSN-UONOGXRCSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1nc(C)c(CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(=O)[n-]1 ZINC000065865009 506382185 /nfs/dbraw/zinc/38/21/85/506382185.db2.gz DDTDRJHMKYHMKO-UHFFFAOYSA-N -1 3 372.425 2.665 20 5 FFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc([N+](=O)[O-])cc1 ZINC000036136989 506399809 /nfs/dbraw/zinc/39/98/09/506399809.db2.gz AKQAQAWHMNUFDV-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055242413 506707310 /nfs/dbraw/zinc/70/73/10/506707310.db2.gz DKVGZCCNGHRSRN-RISCZKNCSA-N -1 3 360.407 2.608 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1C ZINC000055265776 506713669 /nfs/dbraw/zinc/71/36/69/506713669.db2.gz BJVYACGYEVCKJC-CYBMUJFWSA-N -1 3 364.423 2.821 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000011901889 506801179 /nfs/dbraw/zinc/80/11/79/506801179.db2.gz GOTLEXHDQHZMFN-UHFFFAOYSA-N -1 3 350.371 2.744 20 5 FFBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1NC(C)=O ZINC000045337123 506950739 /nfs/dbraw/zinc/95/07/39/506950739.db2.gz RWHIYKZWNMYMHQ-UHFFFAOYSA-N -1 3 369.337 2.690 20 5 FFBDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000067950386 507064245 /nfs/dbraw/zinc/06/42/45/507064245.db2.gz FTHWPLPGGRKCEU-UHFFFAOYSA-N -1 3 350.396 2.515 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000024259746 507401357 /nfs/dbraw/zinc/40/13/57/507401357.db2.gz NUMUUFVKWXPPAF-UHFFFAOYSA-N -1 3 350.396 2.515 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000048817350 507568719 /nfs/dbraw/zinc/56/87/19/507568719.db2.gz BSTBNEINNGOJBE-UHFFFAOYSA-N -1 3 371.212 2.836 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000030493455 507809327 /nfs/dbraw/zinc/80/93/27/507809327.db2.gz YARQQUGSFNNODF-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CCOCC1 ZINC000072719476 507847142 /nfs/dbraw/zinc/84/71/42/507847142.db2.gz ZEGALBZWSNTYFN-CQSZACIVSA-N -1 3 356.444 2.695 20 5 FFBDHM CCCn1c2ccccc2nc1NC(=O)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000074113901 507988409 /nfs/dbraw/zinc/98/84/09/507988409.db2.gz ISOKXXYBQMYEGS-UHFFFAOYSA-N -1 3 364.365 2.905 20 5 FFBDHM CCCn1c2ccccc2[nH]c1=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000074113901 507988411 /nfs/dbraw/zinc/98/84/11/507988411.db2.gz ISOKXXYBQMYEGS-UHFFFAOYSA-N -1 3 364.365 2.905 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000074973732 508074776 /nfs/dbraw/zinc/07/47/76/508074776.db2.gz WYZFJEZGRPMPCS-LBPRGKRZSA-N -1 3 350.824 2.588 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000111363268 508093713 /nfs/dbraw/zinc/09/37/13/508093713.db2.gz KWXKOPWJAZTFTG-SECBINFHSA-N -1 3 371.440 2.662 20 5 FFBDHM Cc1ncsc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000104745871 508344726 /nfs/dbraw/zinc/34/47/26/508344726.db2.gz ZBTJUMYQSNCLJC-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM CCCCN(C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158044075 508649002 /nfs/dbraw/zinc/64/90/02/508649002.db2.gz ZDNXBYAKDCJXDZ-UHFFFAOYSA-N -1 3 353.347 2.585 20 5 FFBDHM COc1ccc([O-])c(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000153785388 508649471 /nfs/dbraw/zinc/64/94/71/508649471.db2.gz BTBAGJQJOWOUMN-UHFFFAOYSA-N -1 3 354.322 2.747 20 5 FFBDHM CCOc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123280964 508662887 /nfs/dbraw/zinc/66/28/87/508662887.db2.gz HMXWFOZOHIRXSC-UHFFFAOYSA-N -1 3 356.425 2.842 20 5 FFBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000124262199 508805385 /nfs/dbraw/zinc/80/53/85/508805385.db2.gz ZANCMURVCMVJFP-UHFFFAOYSA-N -1 3 364.851 2.715 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(OC)c(OC)cc2F)c1[N+](=O)[O-] ZINC000159355032 508829681 /nfs/dbraw/zinc/82/96/81/508829681.db2.gz PSUWBHHNFQPADV-UHFFFAOYSA-N -1 3 352.322 2.679 20 5 FFBDHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000154785384 508855845 /nfs/dbraw/zinc/85/58/45/508855845.db2.gz QASAUHZEOBMJSO-AWEZNQCLSA-N -1 3 367.452 2.930 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1[N+](=O)[O-] ZINC000147728654 508858922 /nfs/dbraw/zinc/85/89/22/508858922.db2.gz CAYXNZLHPRLCJA-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000147719322 508859163 /nfs/dbraw/zinc/85/91/63/508859163.db2.gz HOQLTBIKPXCXTC-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM CCc1nc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cs1 ZINC000120218730 508952762 /nfs/dbraw/zinc/95/27/62/508952762.db2.gz ZBFRJEHUGYKUJR-UHFFFAOYSA-N -1 3 369.468 2.752 20 5 FFBDHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160409478 508982688 /nfs/dbraw/zinc/98/26/88/508982688.db2.gz QCXRRIPHQIVDBK-INIZCTEOSA-N -1 3 355.394 2.695 20 5 FFBDHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160409357 508982878 /nfs/dbraw/zinc/98/28/78/508982878.db2.gz QCXRRIPHQIVDBK-MRXNPFEDSA-N -1 3 355.394 2.695 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000151457562 509020775 /nfs/dbraw/zinc/02/07/75/509020775.db2.gz JALPXHIXUQASOQ-CQSZACIVSA-N -1 3 371.440 2.664 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccnc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000125720507 509021845 /nfs/dbraw/zinc/02/18/45/509021845.db2.gz ZNNACZVMZFRSRO-UHFFFAOYSA-N -1 3 371.440 2.625 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CCO)C1CCCCC1 ZINC000162003958 509168799 /nfs/dbraw/zinc/16/87/99/509168799.db2.gz XWYCLEBNVRGENX-CQSZACIVSA-N -1 3 356.444 2.513 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c(Cl)c1 ZINC000121462609 509175210 /nfs/dbraw/zinc/17/52/10/509175210.db2.gz NKRKAXQCNHFILF-CQSZACIVSA-N -1 3 370.814 2.650 20 5 FFBDHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000188932875 509329341 /nfs/dbraw/zinc/32/93/41/509329341.db2.gz LCKOJQCYIQYNOE-UHFFFAOYSA-N -1 3 364.423 2.903 20 5 FFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nn1-c1ccc(C)cc1 ZINC000182636851 509346171 /nfs/dbraw/zinc/34/61/71/509346171.db2.gz XARYPMTWAKTWFN-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM O=C(Nc1nc(Cc2ccccc2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182826687 509445359 /nfs/dbraw/zinc/44/53/59/509445359.db2.gz WAKPLQBYSFVRII-UHFFFAOYSA-N -1 3 356.363 2.995 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1COc2ccccc21 ZINC000167508455 509633471 /nfs/dbraw/zinc/63/34/71/509633471.db2.gz CQHQGEIEYKXPFT-GWCFXTLKSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000173623208 509680923 /nfs/dbraw/zinc/68/09/23/509680923.db2.gz NVOYNJJIVLGISP-CYBMUJFWSA-N -1 3 350.396 2.649 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[n-]1 ZINC000183281972 509695935 /nfs/dbraw/zinc/69/59/35/509695935.db2.gz GFPLCEDXBSZWGH-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[n-]n1 ZINC000183281972 509695937 /nfs/dbraw/zinc/69/59/37/509695937.db2.gz GFPLCEDXBSZWGH-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1F ZINC000173731872 509743770 /nfs/dbraw/zinc/74/37/70/509743770.db2.gz QLOLIBJHZSLWBZ-SNVBAGLBSA-N -1 3 372.349 2.619 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000190078966 509925741 /nfs/dbraw/zinc/92/57/41/509925741.db2.gz NIWFVGXOLUMIES-CQSZACIVSA-N -1 3 368.455 2.982 20 5 FFBDHM CCO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000193543947 509959564 /nfs/dbraw/zinc/95/95/64/509959564.db2.gz MVMIDYIZKVYCAP-HNNXBMFYSA-N -1 3 368.386 2.790 20 5 FFBDHM CN(C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000265334615 509999072 /nfs/dbraw/zinc/99/90/72/509999072.db2.gz GYMRLGXLXURZOH-UHFFFAOYSA-N -1 3 352.778 2.769 20 5 FFBDHM CCc1cc(=O)[n-]c(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000268584115 510021519 /nfs/dbraw/zinc/02/15/19/510021519.db2.gz LBUKCTBBPQIOJF-UHFFFAOYSA-N -1 3 363.395 2.953 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000193985064 510162546 /nfs/dbraw/zinc/16/25/46/510162546.db2.gz KISKTPAUIXXALU-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM COc1ccc(C(=O)[N-]C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181829063 510614932 /nfs/dbraw/zinc/61/49/32/510614932.db2.gz IOKPOZABBCISKH-CYBMUJFWSA-N -1 3 371.393 2.519 20 5 FFBDHM CN1CCCN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000172364077 510691900 /nfs/dbraw/zinc/69/19/00/510691900.db2.gz ZRSLJNTUXBCFIZ-UHFFFAOYSA-N -1 3 351.366 2.958 20 5 FFBDHM CCOC1CC(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000188303125 510698525 /nfs/dbraw/zinc/69/85/25/510698525.db2.gz PEMJMQULEOFBGE-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2scc(C3CC3)c2C(=O)OC)n1 ZINC000191662832 510777481 /nfs/dbraw/zinc/77/74/81/510777481.db2.gz HFOXEFXLRAYEDA-UHFFFAOYSA-N -1 3 364.383 2.789 20 5 FFBDHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000271728302 511303489 /nfs/dbraw/zinc/30/34/89/511303489.db2.gz USRDPEJYQFMCMS-GXFFZTMASA-N -1 3 362.835 2.730 20 5 FFBDHM CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280897552 511646615 /nfs/dbraw/zinc/64/66/15/511646615.db2.gz DNSFFXUPGKWUFB-MRXNPFEDSA-N -1 3 369.421 2.895 20 5 FFBDHM O=C(Cc1ccc([O-])cc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365925249 511730650 /nfs/dbraw/zinc/73/06/50/511730650.db2.gz IVHIOTHJRNHAOR-UHFFFAOYSA-N -1 3 364.789 2.557 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000292841234 511741648 /nfs/dbraw/zinc/74/16/48/511741648.db2.gz PQLBZCPJANBVHD-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000327018442 511866821 /nfs/dbraw/zinc/86/68/21/511866821.db2.gz HWZWXENSRRQNNA-ZDUSSCGKSA-N -1 3 372.443 2.548 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C1CCCCC1 ZINC000328154560 511886074 /nfs/dbraw/zinc/88/60/74/511886074.db2.gz OVOICKZPBCHLHW-LLVKDONJSA-N -1 3 370.427 2.629 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccncc3)[n-][nH]2)c1 ZINC000371538112 512454214 /nfs/dbraw/zinc/45/42/14/512454214.db2.gz GSEXGPNLOBYQOK-UHFFFAOYSA-N -1 3 355.379 2.776 20 5 FFBDHM C[C@@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397929277 512950341 /nfs/dbraw/zinc/95/03/41/512950341.db2.gz AWKCQGUNCXCTTE-DOMZBBRYSA-N -1 3 356.382 2.763 20 5 FFBDHM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccncc1[O-] ZINC000409451877 513107399 /nfs/dbraw/zinc/10/73/99/513107399.db2.gz KLSAMEQHYWDONM-UHFFFAOYSA-N -1 3 370.287 2.577 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000429884626 513489464 /nfs/dbraw/zinc/48/94/64/513489464.db2.gz YKNXGGKFFPODSM-MRVPVSSYSA-N -1 3 354.762 2.962 20 5 FFBDHM CSc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000435584227 513626136 /nfs/dbraw/zinc/62/61/36/513626136.db2.gz NJOHBLVXLRWLGS-UHFFFAOYSA-N -1 3 352.437 2.838 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000436162666 513778446 /nfs/dbraw/zinc/77/84/46/513778446.db2.gz FTHIHTVPBDPWSX-OAHLLOKOSA-N -1 3 368.386 2.708 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000416514049 513812152 /nfs/dbraw/zinc/81/21/52/513812152.db2.gz YXSROILZDVHSSI-CQSZACIVSA-N -1 3 358.391 2.600 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C1CCC1 ZINC000416561508 513835075 /nfs/dbraw/zinc/83/50/75/513835075.db2.gz TZXWXHJBFZQHOT-CQSZACIVSA-N -1 3 370.427 2.629 20 5 FFBDHM COc1cccc([C@@H]2C[C@H]2C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000416615952 513869654 /nfs/dbraw/zinc/86/96/54/513869654.db2.gz BMUNHEVBJICJLC-ZFWWWQNUSA-N -1 3 362.407 2.685 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000416646740 513885281 /nfs/dbraw/zinc/88/52/81/513885281.db2.gz LLWALGJVNBNQFB-GFCCVEGCSA-N -1 3 354.409 2.515 20 5 FFBDHM CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451654218 513892179 /nfs/dbraw/zinc/89/21/79/513892179.db2.gz OHPSXVHAVIBGMM-JTQLQIEISA-N -1 3 370.349 2.539 20 5 FFBDHM C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1Cc1ccccc1 ZINC000436748821 513967084 /nfs/dbraw/zinc/96/70/84/513967084.db2.gz HMFSDDWQJCCOQK-DYVFJYSZSA-N -1 3 355.394 2.693 20 5 FFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000437341464 514143697 /nfs/dbraw/zinc/14/36/97/514143697.db2.gz MLIBMXQZLZGWGZ-JTQLQIEISA-N -1 3 371.440 2.546 20 5 FFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000437341466 514144227 /nfs/dbraw/zinc/14/42/27/514144227.db2.gz MLIBMXQZLZGWGZ-SNVBAGLBSA-N -1 3 371.440 2.546 20 5 FFBDHM C[C@H]1C(=O)CC[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1(C)C ZINC000444636650 514280627 /nfs/dbraw/zinc/28/06/27/514280627.db2.gz ODUDCQMTFKCKAA-FZMZJTMJSA-N -1 3 370.409 2.987 20 5 FFBDHM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000507881347 514595213 /nfs/dbraw/zinc/59/52/13/514595213.db2.gz UGHIOABRTBIHRE-AWEZNQCLSA-N -1 3 362.407 2.959 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c(Cl)c1 ZINC000466537493 514683140 /nfs/dbraw/zinc/68/31/40/514683140.db2.gz ZDRSXENQAMMZJA-LBPRGKRZSA-N -1 3 372.761 2.799 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c1C ZINC000466567722 514694043 /nfs/dbraw/zinc/69/40/43/514694043.db2.gz QCPJQUVSNWXYRQ-DLBZAZTESA-N -1 3 368.455 2.695 20 5 FFBDHM O=C(Nc1ccc(NC2CCOCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000508731810 514876129 /nfs/dbraw/zinc/87/61/29/514876129.db2.gz YTAUNTQTLOZRDI-UHFFFAOYSA-N -1 3 358.354 2.539 20 5 FFBDHM CCOC(=O)c1c(C(C)C)csc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000503081480 514910016 /nfs/dbraw/zinc/91/00/16/514910016.db2.gz ITPIZCKBWNGUMZ-UHFFFAOYSA-N -1 3 366.399 2.942 20 5 FFBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480696360 515048882 /nfs/dbraw/zinc/04/88/82/515048882.db2.gz VJFSFPIHXHUJND-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480726324 515059469 /nfs/dbraw/zinc/05/94/69/515059469.db2.gz HBOQUJJHGFREON-KBPBESRZSA-N -1 3 356.444 2.695 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000480735422 515062456 /nfs/dbraw/zinc/06/24/56/515062456.db2.gz FOXVFVBJJGGUQU-GDBMZVCRSA-N -1 3 370.471 2.941 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000462487474 515078327 /nfs/dbraw/zinc/07/83/27/515078327.db2.gz JVROQEFHPARVEH-UKRRQHHQSA-N -1 3 362.407 2.513 20 5 FFBDHM COc1c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000476574840 515110565 /nfs/dbraw/zinc/11/05/65/515110565.db2.gz PQPGVDOZBQSGEN-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@H](C)C2)c1C ZINC000480946218 515148257 /nfs/dbraw/zinc/14/82/57/515148257.db2.gz ANGOXYKWHRQZRB-GXTWGEPZSA-N -1 3 369.487 2.610 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000462718952 515211044 /nfs/dbraw/zinc/21/10/44/515211044.db2.gz FIZWTMKHMBLNNO-JHJVBQTASA-N -1 3 354.428 2.851 20 5 FFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000481349951 515299375 /nfs/dbraw/zinc/29/93/75/515299375.db2.gz PIWBVWBTDIWJSI-DGCLKSJQSA-N -1 3 360.457 2.556 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000491610261 515461406 /nfs/dbraw/zinc/46/14/06/515461406.db2.gz OXSNFMLFAHZNEC-OUJBWJOFSA-N -1 3 360.407 2.846 20 5 FFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000492176186 515510637 /nfs/dbraw/zinc/51/06/37/515510637.db2.gz QOFDLCGHGLVZNW-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457138903 515682288 /nfs/dbraw/zinc/68/22/88/515682288.db2.gz FEPYAKYSYRGUBM-UHFFFAOYSA-N -1 3 370.394 2.898 20 5 FFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473847364 515774118 /nfs/dbraw/zinc/77/41/18/515774118.db2.gz BZUMTARJRIVELP-ZDUSSCGKSA-N -1 3 362.411 2.956 20 5 FFBDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464361841 515796817 /nfs/dbraw/zinc/79/68/17/515796817.db2.gz PNTOHLGWZZHVMS-QMMMGPOBSA-N -1 3 363.317 2.762 20 5 FFBDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000478768368 515956830 /nfs/dbraw/zinc/95/68/30/515956830.db2.gz ZKUWWCBKJONVHP-MRXNPFEDSA-N -1 3 372.443 2.549 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCO[C@@H]1CC(C)C ZINC000478786005 515963394 /nfs/dbraw/zinc/96/33/94/515963394.db2.gz YQIBHKYSTMWXTM-UKRRQHHQSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000479137677 516074360 /nfs/dbraw/zinc/07/43/60/516074360.db2.gz VNYALLKLKURHSD-GFCCVEGCSA-N -1 3 352.334 2.913 20 5 FFBDHM C[S@@](=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000495294402 516131025 /nfs/dbraw/zinc/13/10/25/516131025.db2.gz JVCCBPFOEWWBQF-RUZDIDTESA-N -1 3 362.342 2.600 20 5 FFBDHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000479346328 516157732 /nfs/dbraw/zinc/15/77/32/516157732.db2.gz PXWRGGIXBRZUAA-HZMBPMFUSA-N -1 3 360.407 2.606 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCSc2ccccc2)c([N+](=O)[O-])c1 ZINC000507496812 516224818 /nfs/dbraw/zinc/22/48/18/516224818.db2.gz HPZUABCFTWHXIF-UHFFFAOYSA-N -1 3 352.437 2.974 20 5 FFBDHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000497421920 516321540 /nfs/dbraw/zinc/32/15/40/516321540.db2.gz ZPRYQGFOGNDAPR-NSHDSACASA-N -1 3 368.386 2.652 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1c2ccc(F)cc2O[C@@H]1C ZINC000557860429 516475866 /nfs/dbraw/zinc/47/58/66/516475866.db2.gz YZQJJKAVACIBOY-MEBBXXQBSA-N -1 3 366.370 2.843 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000518075370 516541711 /nfs/dbraw/zinc/54/17/11/516541711.db2.gz ZNMAUHAOSGTBLZ-UHFFFAOYSA-N -1 3 370.358 2.860 20 5 FFBDHM COC(=O)c1cc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c[n-]1 ZINC000513741198 516736704 /nfs/dbraw/zinc/73/67/04/516736704.db2.gz HWHBFAFOHAPSDI-UHFFFAOYSA-N -1 3 368.143 2.724 20 5 FFBDHM COc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)[n-]n1C ZINC000548143364 516790869 /nfs/dbraw/zinc/79/08/69/516790869.db2.gz CBSCJURXFNNHII-UHFFFAOYSA-N -1 3 364.427 2.759 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(C3CC3)s2)cc([N+](=O)[O-])c1OC ZINC000558576162 516816713 /nfs/dbraw/zinc/81/67/13/516816713.db2.gz CAXVITIRCBMVSS-UHFFFAOYSA-N -1 3 350.356 2.593 20 5 FFBDHM CCOC1(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCCC1 ZINC000555414717 516917452 /nfs/dbraw/zinc/91/74/52/516917452.db2.gz DEIHZEFVPKGENB-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM CC(=O)Nc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)cs1 ZINC000525141318 516929925 /nfs/dbraw/zinc/92/99/25/516929925.db2.gz SWMSZACCZUOMDN-UHFFFAOYSA-N -1 3 372.309 2.863 20 5 FFBDHM COCc1ccccc1CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1 ZINC000519729063 517149484 /nfs/dbraw/zinc/14/94/84/517149484.db2.gz ROHRBMYOEMUVHF-UHFFFAOYSA-N -1 3 350.396 2.992 20 5 FFBDHM COc1ccc(C2([N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])CC2)cc1 ZINC000520268114 517325046 /nfs/dbraw/zinc/32/50/46/517325046.db2.gz WMENSBCTNWDWDR-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000515474955 517369019 /nfs/dbraw/zinc/36/90/19/517369019.db2.gz BJISECHJTQFEML-GFCCVEGCSA-N -1 3 352.334 2.831 20 5 FFBDHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000549234999 517469344 /nfs/dbraw/zinc/46/93/44/517469344.db2.gz POAFDSULLNWSTB-GHMZBOCLSA-N -1 3 360.407 2.606 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000546336122 517644862 /nfs/dbraw/zinc/64/48/62/517644862.db2.gz DCFDCAOEXWQJCH-UHFFFAOYSA-N -1 3 360.351 2.683 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c1 ZINC000553882436 517949507 /nfs/dbraw/zinc/94/95/07/517949507.db2.gz HNTILSGLUZSKMJ-DTWKUNHWSA-N -1 3 367.196 2.526 20 5 FFBDHM CC(C)(C)c1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000560798402 518033708 /nfs/dbraw/zinc/03/37/08/518033708.db2.gz XNJLHXJNPSJGSB-UHFFFAOYSA-N -1 3 371.393 2.966 20 5 FFBDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000522436686 518106977 /nfs/dbraw/zinc/10/69/77/518106977.db2.gz VVJGWIFFOQCSBU-CYBMUJFWSA-N -1 3 373.450 2.667 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCCSCC(C)C)c([N+](=O)[O-])c1 ZINC000535140941 518157109 /nfs/dbraw/zinc/15/71/09/518157109.db2.gz HMLPLSBUIDGQDX-UHFFFAOYSA-N -1 3 362.473 2.661 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000578774709 518367678 /nfs/dbraw/zinc/36/76/78/518367678.db2.gz MEMBQVUNUIIWLU-MRXNPFEDSA-N -1 3 370.409 2.667 20 5 FFBDHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000565577435 519025820 /nfs/dbraw/zinc/02/58/20/519025820.db2.gz JBMUWCWCGKWZAT-UHFFFAOYSA-N -1 3 366.399 2.988 20 5 FFBDHM C[C@]1(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000574215004 519044129 /nfs/dbraw/zinc/04/41/29/519044129.db2.gz SBPYLBBVQKNPHC-IBGZPJMESA-N -1 3 355.394 2.695 20 5 FFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc([O-])cc(C(F)(F)F)c1 ZINC000590443739 519234424 /nfs/dbraw/zinc/23/44/24/519234424.db2.gz GNPDGXWEANDHPA-UHFFFAOYSA-N -1 3 366.255 2.870 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000590591573 519277380 /nfs/dbraw/zinc/27/73/80/519277380.db2.gz VESJFEYQKMQTPD-CYBMUJFWSA-N -1 3 364.354 2.648 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000569421876 519537802 /nfs/dbraw/zinc/53/78/02/519537802.db2.gz FKJKEBZYYUEUJY-DAXOMENPSA-N -1 3 368.455 2.694 20 5 FFBDHM COC(=O)C1(Cc2cn(-c3ccc([O-])cc3[N+](=O)[O-])nn2)CCCCC1 ZINC000594652452 520067415 /nfs/dbraw/zinc/06/74/15/520067415.db2.gz NPJZQOKXYXHVCV-UHFFFAOYSA-N -1 3 360.370 2.547 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000594849831 520187609 /nfs/dbraw/zinc/18/76/09/520187609.db2.gz IJMJTNCFHAYYRN-UHFFFAOYSA-N -1 3 356.425 2.590 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]1c1ccccc1 ZINC000594869717 520199857 /nfs/dbraw/zinc/19/98/57/520199857.db2.gz RQSKZOUXVNQURX-HUUCEWRRSA-N -1 3 362.407 2.828 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1ccccn1 ZINC000609196911 520228958 /nfs/dbraw/zinc/22/89/58/520228958.db2.gz CAAJHEPJBFHNGX-CQSZACIVSA-N -1 3 365.411 2.818 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC000609320353 520276429 /nfs/dbraw/zinc/27/64/29/520276429.db2.gz ZHNAEJALLOFPOT-OAHLLOKOSA-N -1 3 362.407 2.878 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595279071 520383862 /nfs/dbraw/zinc/38/38/62/520383862.db2.gz FQAADUSDQZHWLJ-ZWKOTPCHSA-N -1 3 370.405 2.891 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000595380926 520439268 /nfs/dbraw/zinc/43/92/68/520439268.db2.gz TUBAPTGZBJFMOF-VNQPRFMTSA-N -1 3 362.382 2.659 20 5 FFBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609855678 520458212 /nfs/dbraw/zinc/45/82/12/520458212.db2.gz QRDACCVLAYIYOP-UHFFFAOYSA-N -1 3 356.747 2.529 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc(F)cc3nccnc32)cc([N+](=O)[O-])c1 ZINC000609884735 520470227 /nfs/dbraw/zinc/47/02/27/520470227.db2.gz BZIOHTQLCUELGJ-UHFFFAOYSA-N -1 3 370.296 2.716 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)c1ccccc1 ZINC000610265342 520610653 /nfs/dbraw/zinc/61/06/53/520610653.db2.gz BPDBQAHWFNJOKM-IRXDYDNUSA-N -1 3 362.407 2.612 20 5 FFBDHM O=C(c1cc(F)c[n-]c1=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000598692050 520790727 /nfs/dbraw/zinc/79/07/27/520790727.db2.gz WPSVGYNDTVGHOJ-UHFFFAOYSA-N -1 3 361.329 2.518 20 5 FFBDHM CC(C)(C)CN(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595886119 520793255 /nfs/dbraw/zinc/79/32/55/520793255.db2.gz MNGSEPWJTILMEM-UHFFFAOYSA-N -1 3 357.794 2.619 20 5 FFBDHM CSc1nnc(CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])n1CC(C)C ZINC000596063714 520888255 /nfs/dbraw/zinc/88/82/55/520888255.db2.gz QYACRDRRLRGNEM-UHFFFAOYSA-N -1 3 366.447 2.710 20 5 FFBDHM Cc1ccc(CSCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593525401 521049534 /nfs/dbraw/zinc/04/95/34/521049534.db2.gz FIFRONCRAQCPDG-UHFFFAOYSA-N -1 3 367.452 2.510 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c(Cl)c1 ZINC000593629361 521119504 /nfs/dbraw/zinc/11/95/04/521119504.db2.gz MUCKVGGPPUSBIV-HNNXBMFYSA-N -1 3 374.846 2.732 20 5 FFBDHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593753346 521194715 /nfs/dbraw/zinc/19/47/15/521194715.db2.gz SUQWHAJQEOJEKI-AWEZNQCLSA-N -1 3 362.304 2.703 20 5 FFBDHM CCC([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)(C1CC1)C1CC1 ZINC000599395888 521197428 /nfs/dbraw/zinc/19/74/28/521197428.db2.gz DQSXLWMLWLJPGR-UHFFFAOYSA-N -1 3 354.428 2.851 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3c(F)cccc3F)CCC2)nc1 ZINC000599524776 521278168 /nfs/dbraw/zinc/27/81/68/521278168.db2.gz BBXCAJDOUKXJQQ-UHFFFAOYSA-N -1 3 369.349 2.626 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2ccc(C)cc21 ZINC000619482275 521591016 /nfs/dbraw/zinc/59/10/16/521591016.db2.gz KAUITZIHZCRWSB-AWEZNQCLSA-N -1 3 362.407 2.878 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nc(C)cs1 ZINC000619482141 521591329 /nfs/dbraw/zinc/59/13/29/521591329.db2.gz UNCVCJMTBCGENV-SNVBAGLBSA-N -1 3 371.440 2.798 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nc(C(C)C)cs1 ZINC000619491490 521595936 /nfs/dbraw/zinc/59/59/36/521595936.db2.gz PNQBHJYFODIKNY-UHFFFAOYSA-N -1 3 371.440 2.662 20 5 FFBDHM O=C(Cc1csc2nccn12)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000487325924 561367613 /nfs/dbraw/zinc/36/76/13/561367613.db2.gz WHPKENDEKUFOGD-UHFFFAOYSA-N -1 3 368.378 2.875 20 5 FFBDHM Cn1[n-]c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1OC(F)F ZINC000490989139 561441253 /nfs/dbraw/zinc/44/12/53/561441253.db2.gz NYXYRKKGCHYFBJ-UHFFFAOYSA-N -1 3 372.303 2.985 20 5 FFBDHM O=C(CN1CCCCCCC1=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523835051 562220480 /nfs/dbraw/zinc/22/04/80/562220480.db2.gz PTAKSVRSMMNXFO-UHFFFAOYSA-N -1 3 371.397 2.716 20 5 FFBDHM C[C@@]1(c2ccccc2)CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736227446 598829706 /nfs/dbraw/zinc/82/97/06/598829706.db2.gz DKEJEXCZLSUQHB-GOSISDBHSA-N -1 3 365.397 2.728 20 5 FFBDHM C[C@@]1(c2ccccc2)CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736227446 598829708 /nfs/dbraw/zinc/82/97/08/598829708.db2.gz DKEJEXCZLSUQHB-GOSISDBHSA-N -1 3 365.397 2.728 20 5 FFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1CCc2ccccc2C1 ZINC000736842060 598914120 /nfs/dbraw/zinc/91/41/20/598914120.db2.gz MUPTXQGCPHWFKI-CQSZACIVSA-N -1 3 350.382 2.769 20 5 FFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2C1 ZINC000736842060 598914121 /nfs/dbraw/zinc/91/41/21/598914121.db2.gz MUPTXQGCPHWFKI-CQSZACIVSA-N -1 3 350.382 2.769 20 5 FFBDHM CCc1ccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736691806 599156690 /nfs/dbraw/zinc/15/66/90/599156690.db2.gz RJDIFRYBNSRKAX-UHFFFAOYSA-N -1 3 367.365 2.876 20 5 FFBDHM CCc1ccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736691806 599156692 /nfs/dbraw/zinc/15/66/92/599156692.db2.gz RJDIFRYBNSRKAX-UHFFFAOYSA-N -1 3 367.365 2.876 20 5 FFBDHM Cc1ccc(CN(C)c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822237008 607302857 /nfs/dbraw/zinc/30/28/57/607302857.db2.gz ALECQURGDAGIOX-UHFFFAOYSA-N -1 3 365.353 2.861 20 5 FFBDHM Cc1ccc(CN(C)c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822237008 607302858 /nfs/dbraw/zinc/30/28/58/607302858.db2.gz ALECQURGDAGIOX-UHFFFAOYSA-N -1 3 365.353 2.861 20 5 FFBDHM CCN(Cc1ccc(OC)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821220627 607305541 /nfs/dbraw/zinc/30/55/41/607305541.db2.gz CQZQRBSUHHFFGA-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM CCN(Cc1ccc(OC)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821220627 607305542 /nfs/dbraw/zinc/30/55/42/607305542.db2.gz CQZQRBSUHHFFGA-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820220788 607331591 /nfs/dbraw/zinc/33/15/91/607331591.db2.gz XSHQKLNWFMLHIC-GTNSWQLSSA-N -1 3 366.381 2.603 20 5 FFBDHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820220788 607331592 /nfs/dbraw/zinc/33/15/92/607331592.db2.gz XSHQKLNWFMLHIC-GTNSWQLSSA-N -1 3 366.381 2.603 20 5 FFBDHM COCc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC000737015570 598469156 /nfs/dbraw/zinc/46/91/56/598469156.db2.gz DESHCJKAYBAIMQ-UHFFFAOYSA-N -1 3 358.333 2.673 20 5 FFBDHM COCc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1F ZINC000737015570 598469157 /nfs/dbraw/zinc/46/91/57/598469157.db2.gz DESHCJKAYBAIMQ-UHFFFAOYSA-N -1 3 358.333 2.673 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822935719 607356472 /nfs/dbraw/zinc/35/64/72/607356472.db2.gz MRACMNSSEMUZLQ-AATRIKPKSA-N -1 3 355.285 2.533 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000822935719 607356474 /nfs/dbraw/zinc/35/64/74/607356474.db2.gz MRACMNSSEMUZLQ-AATRIKPKSA-N -1 3 355.285 2.533 20 5 FFBDHM O=C(COc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737917455 598569419 /nfs/dbraw/zinc/56/94/19/598569419.db2.gz XZGGUBYPQZDJHS-UHFFFAOYSA-N -1 3 359.729 2.690 20 5 FFBDHM O=C(COc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737917455 598569420 /nfs/dbraw/zinc/56/94/20/598569420.db2.gz XZGGUBYPQZDJHS-UHFFFAOYSA-N -1 3 359.729 2.690 20 5 FFBDHM Cc1c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000737208665 598702761 /nfs/dbraw/zinc/70/27/61/598702761.db2.gz DLBFAKKVQFCUCV-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000737208665 598702763 /nfs/dbraw/zinc/70/27/63/598702763.db2.gz DLBFAKKVQFCUCV-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(SCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822270954 599463739 /nfs/dbraw/zinc/46/37/39/599463739.db2.gz FKAXBENYWDGRFU-UHFFFAOYSA-N -1 3 357.399 2.683 20 5 FFBDHM Cc1ccc(SCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822270954 599463742 /nfs/dbraw/zinc/46/37/42/599463742.db2.gz FKAXBENYWDGRFU-UHFFFAOYSA-N -1 3 357.399 2.683 20 5 FFBDHM CN(Cc1ccoc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821615843 599489845 /nfs/dbraw/zinc/48/98/45/599489845.db2.gz QJAMDJYDJVMFQR-UHFFFAOYSA-N -1 3 351.326 2.553 20 5 FFBDHM CN(Cc1ccoc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821615843 599489847 /nfs/dbraw/zinc/48/98/47/599489847.db2.gz QJAMDJYDJVMFQR-UHFFFAOYSA-N -1 3 351.326 2.553 20 5 FFBDHM Cc1occc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822553195 599490932 /nfs/dbraw/zinc/49/09/32/599490932.db2.gz JLJIFCVDQRCJCE-UHFFFAOYSA-N -1 3 351.326 2.837 20 5 FFBDHM Cc1occc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822553195 599490935 /nfs/dbraw/zinc/49/09/35/599490935.db2.gz JLJIFCVDQRCJCE-UHFFFAOYSA-N -1 3 351.326 2.837 20 5 FFBDHM CC1(C)CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820594787 599553753 /nfs/dbraw/zinc/55/37/53/599553753.db2.gz CFSBQJCAOHSONB-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM CC1(C)CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820594787 599553755 /nfs/dbraw/zinc/55/37/55/599553755.db2.gz CFSBQJCAOHSONB-UHFFFAOYSA-N -1 3 353.386 2.950 20 5 FFBDHM C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820385103 599635088 /nfs/dbraw/zinc/63/50/88/599635088.db2.gz PENDQSHQTFIGIM-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820385103 599635089 /nfs/dbraw/zinc/63/50/89/599635089.db2.gz PENDQSHQTFIGIM-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2CCC(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000823651086 599689375 /nfs/dbraw/zinc/68/93/75/599689375.db2.gz FHIGMANQORTYBS-UHFFFAOYSA-N -1 3 371.323 2.951 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2CCC(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000823651086 599689376 /nfs/dbraw/zinc/68/93/76/599689376.db2.gz FHIGMANQORTYBS-UHFFFAOYSA-N -1 3 371.323 2.951 20 5 FFBDHM CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825825344 607438447 /nfs/dbraw/zinc/43/84/47/607438447.db2.gz AIVJCCBAZGHMCQ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825825344 607438448 /nfs/dbraw/zinc/43/84/48/607438448.db2.gz AIVJCCBAZGHMCQ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826054944 601202557 /nfs/dbraw/zinc/20/25/57/601202557.db2.gz SSSVCTMDXWDRMU-SJCJKPOMSA-N -1 3 357.366 2.585 20 5 FFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833420229 604864449 /nfs/dbraw/zinc/86/44/49/604864449.db2.gz PETWUHFJUBZVTG-AWEZNQCLSA-N -1 3 373.413 2.634 20 5 FFBDHM Cc1cc(NCCSCc2ccccc2-c2nnn[n-]2)ncc1[N+](=O)[O-] ZINC000822209660 606036111 /nfs/dbraw/zinc/03/61/11/606036111.db2.gz QWGVXFWAJIRPSO-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM Cc1cc(NCCSCc2ccccc2-c2nn[n-]n2)ncc1[N+](=O)[O-] ZINC000822209660 606036117 /nfs/dbraw/zinc/03/61/17/606036117.db2.gz QWGVXFWAJIRPSO-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823343764 606264046 /nfs/dbraw/zinc/26/40/46/606264046.db2.gz GJLZLELXWWQMBK-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000823343764 606264049 /nfs/dbraw/zinc/26/40/49/606264049.db2.gz GJLZLELXWWQMBK-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM CCOc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000821400788 606450215 /nfs/dbraw/zinc/45/02/15/606450215.db2.gz ONWBVTTUDWYJAM-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM CCOc1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000821400788 606450217 /nfs/dbraw/zinc/45/02/17/606450217.db2.gz ONWBVTTUDWYJAM-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919314 606588615 /nfs/dbraw/zinc/58/86/15/606588615.db2.gz BMZASOGEIFJFHR-HNNXBMFYSA-N -1 3 352.354 2.656 20 5 FFBDHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919314 606588617 /nfs/dbraw/zinc/58/86/17/606588617.db2.gz BMZASOGEIFJFHR-HNNXBMFYSA-N -1 3 352.354 2.656 20 5 FFBDHM CC[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820916084 606588721 /nfs/dbraw/zinc/58/87/21/606588721.db2.gz YCRQFVQTDWXLOW-MRXNPFEDSA-N -1 3 366.381 2.585 20 5 FFBDHM CC[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820916084 606588722 /nfs/dbraw/zinc/58/87/22/606588722.db2.gz YCRQFVQTDWXLOW-MRXNPFEDSA-N -1 3 366.381 2.585 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3c(F)ccc(F)c3C2)c(-c2nnn[n-]2)c1 ZINC000823640136 606593066 /nfs/dbraw/zinc/59/30/66/606593066.db2.gz UWNXQCMARYYCPG-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3c(F)ccc(F)c3C2)c(-c2nn[n-]n2)c1 ZINC000823640136 606593068 /nfs/dbraw/zinc/59/30/68/606593068.db2.gz UWNXQCMARYYCPG-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM Cn1cc([C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000822669910 606643796 /nfs/dbraw/zinc/64/37/96/606643796.db2.gz URAFZXBTIMLVDZ-AWEZNQCLSA-N -1 3 356.390 2.708 20 5 FFBDHM Cn1cc([C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000822669910 606643797 /nfs/dbraw/zinc/64/37/97/606643797.db2.gz URAFZXBTIMLVDZ-AWEZNQCLSA-N -1 3 356.390 2.708 20 5 FFBDHM CCOCc1ccccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821389548 606644771 /nfs/dbraw/zinc/64/47/71/606644771.db2.gz NWBYZQGSIRMRBJ-UHFFFAOYSA-N -1 3 354.370 2.924 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC(Cc3ccc(F)c(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000823639478 606921471 /nfs/dbraw/zinc/92/14/71/606921471.db2.gz AZEYQCDWERBFEE-UHFFFAOYSA-N -1 3 372.335 2.732 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC(Cc3ccc(F)c(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000823639478 606921472 /nfs/dbraw/zinc/92/14/72/606921472.db2.gz AZEYQCDWERBFEE-UHFFFAOYSA-N -1 3 372.335 2.732 20 5 FFBDHM CC[C@]1(C)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820950290 606949209 /nfs/dbraw/zinc/94/92/09/606949209.db2.gz LSUMMGCYRKNQND-QGZVFWFLSA-N -1 3 353.386 2.950 20 5 FFBDHM CC[C@]1(C)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820950290 606949210 /nfs/dbraw/zinc/94/92/10/606949210.db2.gz LSUMMGCYRKNQND-QGZVFWFLSA-N -1 3 353.386 2.950 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822213153 607162406 /nfs/dbraw/zinc/16/24/06/607162406.db2.gz WTJWJXKXJPBOHW-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822213153 607162408 /nfs/dbraw/zinc/16/24/08/607162408.db2.gz WTJWJXKXJPBOHW-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000826497769 607849933 /nfs/dbraw/zinc/84/99/33/607849933.db2.gz TZVGGAUFHZUJRB-NILFDRSVSA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000826497769 607849934 /nfs/dbraw/zinc/84/99/34/607849934.db2.gz TZVGGAUFHZUJRB-NILFDRSVSA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)c1cccc(Cl)c1 ZINC000826497740 607873497 /nfs/dbraw/zinc/87/34/97/607873497.db2.gz SQXUDQGOQWKVCN-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)c1cccc(Cl)c1 ZINC000826497740 607873498 /nfs/dbraw/zinc/87/34/98/607873498.db2.gz SQXUDQGOQWKVCN-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826473523 608121818 /nfs/dbraw/zinc/12/18/18/608121818.db2.gz BNTCRSSDPXUQIH-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826473523 608121819 /nfs/dbraw/zinc/12/18/19/608121819.db2.gz BNTCRSSDPXUQIH-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM CS[C@@H](C)CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826224919 608161110 /nfs/dbraw/zinc/16/11/10/608161110.db2.gz OYMRIIYWIKFFQR-LURJTMIESA-N -1 3 356.795 2.508 20 5 FFBDHM CS[C@@H](C)CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826224919 608161112 /nfs/dbraw/zinc/16/11/12/608161112.db2.gz OYMRIIYWIKFFQR-LURJTMIESA-N -1 3 356.795 2.508 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000826497475 608238750 /nfs/dbraw/zinc/23/87/50/608238750.db2.gz ITCNIUFMGRMPAF-YOEHRIQHSA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000826497475 608238751 /nfs/dbraw/zinc/23/87/51/608238751.db2.gz ITCNIUFMGRMPAF-YOEHRIQHSA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826499185 608378044 /nfs/dbraw/zinc/37/80/44/608378044.db2.gz YZPJELUTWYDMOI-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826499185 608378045 /nfs/dbraw/zinc/37/80/45/608378045.db2.gz YZPJELUTWYDMOI-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM CC(=CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942309 609507485 /nfs/dbraw/zinc/50/74/85/609507485.db2.gz AWRIQGYRGUEASK-QXMHVHEDSA-N -1 3 364.365 2.841 20 5 FFBDHM CC(=CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823942309 609507486 /nfs/dbraw/zinc/50/74/86/609507486.db2.gz AWRIQGYRGUEASK-QXMHVHEDSA-N -1 3 364.365 2.841 20 5 FFBDHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824906446 609576200 /nfs/dbraw/zinc/57/62/00/609576200.db2.gz BPICNZUWMMISET-WPRPVWTQSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824906446 609576203 /nfs/dbraw/zinc/57/62/03/609576203.db2.gz BPICNZUWMMISET-WPRPVWTQSA-N -1 3 356.308 2.942 20 5 FFBDHM O=C(OCc1cc(=O)c([O-])co1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000745564394 735429611 /nfs/dbraw/zinc/42/96/11/735429611.db2.gz AYTIAUOKTULNOZ-UHFFFAOYSA-N -1 3 359.212 2.629 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000123183615 728656087 /nfs/dbraw/zinc/65/60/87/728656087.db2.gz PSZDWFROHZUGCR-CQSZACIVSA-N -1 3 370.814 2.650 20 5 FFBDHM CCC(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000172727184 729031255 /nfs/dbraw/zinc/03/12/55/729031255.db2.gz MFYHRKLVEBJESU-UHFFFAOYSA-N -1 3 351.222 2.824 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000882757487 733287868 /nfs/dbraw/zinc/28/78/68/733287868.db2.gz HYNLXQODWSWOJQ-GXFFZTMASA-N -1 3 362.835 2.732 20 5 FFBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)SC ZINC000742339249 735230982 /nfs/dbraw/zinc/23/09/82/735230982.db2.gz PNBFHMXPXQTHLT-UHFFFAOYSA-N -1 3 350.437 2.934 20 5 FFBDHM Cc1cc(N[C@H]2CCCN3CCSC[C@@H]23)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910384886 737067269 /nfs/dbraw/zinc/06/72/69/737067269.db2.gz BEMZSXLPXUPXQF-KBPBESRZSA-N -1 3 351.428 2.593 20 5 FFBDHM CSc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1Cl ZINC000766363916 737222738 /nfs/dbraw/zinc/22/27/38/737222738.db2.gz XWVUUELEHRIWQO-UHFFFAOYSA-N -1 3 374.831 2.671 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000794383174 739885302 /nfs/dbraw/zinc/88/53/02/739885302.db2.gz SCCJHAZJLQRPDE-NSHDSACASA-N -1 3 360.164 2.937 20 5 FFBDHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000794383174 739885306 /nfs/dbraw/zinc/88/53/06/739885306.db2.gz SCCJHAZJLQRPDE-NSHDSACASA-N -1 3 360.164 2.937 20 5 FFBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000832165466 745649312 /nfs/dbraw/zinc/64/93/12/745649312.db2.gz XOEPNDISDWLCGA-BDAKNGLRSA-N -1 3 363.233 2.682 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC=CO1 ZINC000841516306 747379668 /nfs/dbraw/zinc/37/96/68/747379668.db2.gz XACPZCWSGPAZDH-SNVBAGLBSA-N -1 3 366.317 2.585 20 5 FFBDHM COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])[n-]1 ZINC000845877097 748342882 /nfs/dbraw/zinc/34/28/82/748342882.db2.gz DRZQGTXCEJXPNG-XPTSAGLGSA-N -1 3 350.302 2.504 20 5 FFBDHM C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000848590566 748968445 /nfs/dbraw/zinc/96/84/45/748968445.db2.gz FEZCZAIIRQDNNZ-SKDRFNHKSA-N -1 3 352.297 2.585 20 5 FFBDHM C[C@@H]1[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1Cc1ccccc1 ZINC000382042773 970976006 /nfs/dbraw/zinc/97/60/06/970976006.db2.gz UUXBQRSPWUMLCH-CZUORRHYSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1ccc([C@@H](C)N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000255726980 968712803 /nfs/dbraw/zinc/71/28/03/968712803.db2.gz RTLNFGROLZQDKT-YUSFRKCESA-N -1 3 351.362 2.865 20 5 FFBDHM Cc1cc(N(C)CCCN(C)Cc2ccncc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910378243 981927547 /nfs/dbraw/zinc/92/75/47/981927547.db2.gz LAWLTPARZRYAJX-UHFFFAOYSA-N -1 3 372.425 2.955 20 5 FFBDHM CCOC(=O)CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001596602178 984561245 /nfs/dbraw/zinc/56/12/45/984561245.db2.gz RYFFXXNHQOUVDJ-ZDUSSCGKSA-N -1 3 364.398 2.848 20 5 FFBDHM CC(=O)c1ccsc1[N-]C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001129347413 1000079465 /nfs/dbraw/zinc/07/94/65/1000079465.db2.gz HENPDSPDRGPABZ-UHFFFAOYSA-N -1 3 368.392 2.515 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786030122 1001520548 /nfs/dbraw/zinc/52/05/48/1001520548.db2.gz CNWTZBHHQKOSMW-SECBINFHSA-N -1 3 373.321 2.862 20 5 FFBDHM O=C(CCOc1ccccc1)[N-]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789592835 1002133424 /nfs/dbraw/zinc/13/34/24/1002133424.db2.gz YEVLKWZWWFOQPR-UHFFFAOYSA-N -1 3 361.310 2.520 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccco2)[n-]n1 ZINC000791680616 1002771936 /nfs/dbraw/zinc/77/19/36/1002771936.db2.gz BZWXCKBJGUHENB-UHFFFAOYSA-N -1 3 358.266 2.843 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(-c2ccco2)n[n-]1 ZINC000791680616 1002771943 /nfs/dbraw/zinc/77/19/43/1002771943.db2.gz BZWXCKBJGUHENB-UHFFFAOYSA-N -1 3 358.266 2.843 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)cc1F ZINC001185413707 1002949008 /nfs/dbraw/zinc/94/90/08/1002949008.db2.gz WXTVBQKSQXCUBX-STQMWFEESA-N -1 3 373.450 2.584 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)COc2ccccc2F)c([N+](=O)[O-])s1 ZINC001185822175 1003088266 /nfs/dbraw/zinc/08/82/66/1003088266.db2.gz FLECFPZGIORQDF-SECBINFHSA-N -1 3 374.415 2.850 20 5 FFBDHM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ncccc2[O-])CC1 ZINC000792611112 1003098461 /nfs/dbraw/zinc/09/84/61/1003098461.db2.gz WNXZQLKEDBKXPG-UHFFFAOYSA-N -1 3 370.409 2.862 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1C=CCC1 ZINC001194147249 1004662116 /nfs/dbraw/zinc/66/21/16/1004662116.db2.gz LFVBLTPURRBICZ-VIFPVBQESA-N -1 3 350.318 2.858 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c(F)cc1[N+](=O)[O-] ZINC001187657950 1006187193 /nfs/dbraw/zinc/18/71/93/1006187193.db2.gz PQZWSOKSYDLXOO-UHFFFAOYSA-N -1 3 374.340 2.842 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2cccc(F)c2)c([N+](=O)[O-])s1 ZINC001187759588 1006236182 /nfs/dbraw/zinc/23/61/82/1006236182.db2.gz AVSHXLFCGHVBBM-ZANVPECISA-N -1 3 374.415 2.504 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccc([N+](=O)[O-])cc1 ZINC001187865553 1006282806 /nfs/dbraw/zinc/28/28/06/1006282806.db2.gz RTXJRTYTOOHYSQ-UHFFFAOYSA-N -1 3 373.793 2.996 20 5 FFBDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])n1 ZINC001189032210 1006859827 /nfs/dbraw/zinc/85/98/27/1006859827.db2.gz UMOGXXACFIOIRZ-ZETCQYMHSA-N -1 3 361.470 2.812 20 5 FFBDHM COc1c(F)ccc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)c1F ZINC001212844443 1009549485 /nfs/dbraw/zinc/54/94/85/1009549485.db2.gz UJWHXNAXKZUOON-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM CCN1CCN(c2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)CC1 ZINC000794619222 1010443406 /nfs/dbraw/zinc/44/34/06/1010443406.db2.gz SUWZESLEZFCOOQ-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM COC(=O)c1scc(S(C)(=O)=O)c1[N-]c1ccccc1[N+](=O)[O-] ZINC001206144303 1011420220 /nfs/dbraw/zinc/42/02/20/1011420220.db2.gz HQNBDCFSXRGHKW-UHFFFAOYSA-N -1 3 356.381 2.590 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001212937161 1027443937 /nfs/dbraw/zinc/44/39/37/1027443937.db2.gz RDFVZHHEUXWAPU-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM O=c1[nH][n-]cc1CCCNc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001156285392 1029127091 /nfs/dbraw/zinc/12/70/91/1029127091.db2.gz JELGTXHRBDMYTN-LLVKDONJSA-N -1 3 374.788 2.629 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1noc(-c2ccccc2[O-])n1 ZINC000781979503 1029507409 /nfs/dbraw/zinc/50/74/09/1029507409.db2.gz NJUHFMODAABYID-UHFFFAOYSA-N -1 3 355.306 2.636 20 5 FFBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000783604454 1030177915 /nfs/dbraw/zinc/17/79/15/1030177915.db2.gz LMDLCVMMMVFLIR-UHFFFAOYSA-N -1 3 359.269 2.847 20 5 FFBDHM O=[N+]([O-])c1c([O-])cccc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001225620140 1034337471 /nfs/dbraw/zinc/33/74/71/1034337471.db2.gz NIVCOCAYRDMZOC-MRXNPFEDSA-N -1 3 358.394 2.970 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3nccc([O-])c3[N+](=O)[O-])CC2)cc1 ZINC001225660011 1034353808 /nfs/dbraw/zinc/35/38/08/1034353808.db2.gz BOQLHTRDTXQUMR-UHFFFAOYSA-N -1 3 360.326 2.651 20 5 FFBDHM Cc1cnc(=S)[n-]c1O[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001225741005 1034390906 /nfs/dbraw/zinc/39/09/06/1034390906.db2.gz MLJIXXDSTCTCNG-JTQLQIEISA-N -1 3 350.375 2.779 20 5 FFBDHM O=c1nc2cnncc2c(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001226693173 1034790880 /nfs/dbraw/zinc/79/08/80/1034790880.db2.gz SNYZDHCKIRNDET-LLVKDONJSA-N -1 3 367.243 2.716 20 5 FFBDHM O=[N+]([O-])c1cnc(OC[C@H]2CCC(c3ccccc3)=NO2)c2[n-]cnc21 ZINC001227694334 1035677105 /nfs/dbraw/zinc/67/71/05/1035677105.db2.gz GRMRQTIAJJBNJA-GFCCVEGCSA-N -1 3 353.338 2.828 20 5 FFBDHM COC(=O)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001228687749 1036255814 /nfs/dbraw/zinc/25/58/14/1036255814.db2.gz AOYSUWXIWNQXOL-AWEZNQCLSA-N -1 3 352.730 2.950 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)c1[N+](=O)[O-] ZINC001228687682 1036257161 /nfs/dbraw/zinc/25/71/61/1036257161.db2.gz ZOQOXMVKCWLFDI-MRVPVSSYSA-N -1 3 363.282 2.781 20 5 FFBDHM CCOC(=O)[C@H]1C[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c2ccccc2O1 ZINC001228689686 1036259730 /nfs/dbraw/zinc/25/97/30/1036259730.db2.gz WNHKNHYFVTYYPV-DZGCQCFKSA-N -1 3 374.349 2.838 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1[N+](=O)[O-] ZINC001228690114 1036261809 /nfs/dbraw/zinc/26/18/09/1036261809.db2.gz ZIIQPNNHSMJPRT-NSHDSACASA-N -1 3 360.326 2.570 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001231077867 1037459956 /nfs/dbraw/zinc/45/99/56/1037459956.db2.gz XRBMFFRAKCQQLU-ZDUSSCGKSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(Cc3ccccc3F)o2)c1Br ZINC001255831742 1038195345 /nfs/dbraw/zinc/19/53/45/1038195345.db2.gz BSJLGBDWWFYRCR-UHFFFAOYSA-N -1 3 368.122 2.860 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(Cc3ccccc3F)o2)c1Br ZINC001255831742 1038195346 /nfs/dbraw/zinc/19/53/46/1038195346.db2.gz BSJLGBDWWFYRCR-UHFFFAOYSA-N -1 3 368.122 2.860 20 5 FFBDHM CC(C)(C)c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC001208334422 1038223736 /nfs/dbraw/zinc/22/37/36/1038223736.db2.gz FMOVFTHKSPGOQE-UHFFFAOYSA-N -1 3 363.439 2.808 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccnc(OC(C)C)c2)c([N+](=O)[O-])s1 ZINC001211157851 1039971291 /nfs/dbraw/zinc/97/12/91/1039971291.db2.gz XGRLLENGDZPNBT-UHFFFAOYSA-N -1 3 371.440 2.625 20 5 FFBDHM CN(C)c1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC001248001141 1040095460 /nfs/dbraw/zinc/09/54/60/1040095460.db2.gz ZIVBMHDXLWPSJY-UHFFFAOYSA-N -1 3 353.338 2.963 20 5 FFBDHM CN1CCN(c2ccc3[nH]c(-c4cc([O-])ccc4[N+](=O)[O-])nc3c2)CC1 ZINC001250852601 1041402468 /nfs/dbraw/zinc/40/24/68/1041402468.db2.gz CSBUALFGTDTNCV-UHFFFAOYSA-N -1 3 353.382 2.596 20 5 FFBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1cc(F)cc([N+](=O)[O-])c1)OCC ZINC001216481268 1042038098 /nfs/dbraw/zinc/03/80/98/1042038098.db2.gz KBONCIIDPHQVQV-UHFFFAOYSA-N -1 3 366.349 2.915 20 5 FFBDHM COc1ccc(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)c([O-])c1OC ZINC001216765258 1042117818 /nfs/dbraw/zinc/11/78/18/1042117818.db2.gz CMNXJFQCXFSAHB-UHFFFAOYSA-N -1 3 362.273 2.569 20 5 FFBDHM COC(C)(C)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309786161 1043525142 /nfs/dbraw/zinc/52/51/42/1043525142.db2.gz OTMWANNREZACBB-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM COc1ccc(OC(F)F)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001542590958 1071261511 /nfs/dbraw/zinc/26/15/11/1071261511.db2.gz MVTYHMBMRJXPFV-UHFFFAOYSA-N -1 3 355.253 2.558 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])s1 ZINC001475249565 1061017654 /nfs/dbraw/zinc/01/76/54/1061017654.db2.gz GIQHARFMBSRZID-GFCCVEGCSA-N -1 3 368.436 2.506 20 5 FFBDHM O=C([N-]c1nc2cc(Br)ccn2n1)c1ccccc1[N+](=O)[O-] ZINC001526366801 1061097365 /nfs/dbraw/zinc/09/73/65/1061097365.db2.gz FUYSCMLEYSBCNX-UHFFFAOYSA-N -1 3 362.143 2.652 20 5 FFBDHM CCOC(=O)c1cc(C(=O)[N-]c2ccnc(F)c2F)cc([N+](=O)[O-])c1 ZINC001532779589 1063171088 /nfs/dbraw/zinc/17/10/88/1063171088.db2.gz IUONURFLWHCEHU-UHFFFAOYSA-N -1 3 351.265 2.697 20 5 FFBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001441930973 1063481743 /nfs/dbraw/zinc/48/17/43/1063481743.db2.gz IUASJUXRFYNHGK-UHFFFAOYSA-N -1 3 359.288 2.645 20 5 FFBDHM C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001575119249 1078108507 /nfs/dbraw/zinc/10/85/07/1078108507.db2.gz VULHTOHOIYWBKZ-LBPRGKRZSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001575119249 1078108509 /nfs/dbraw/zinc/10/85/09/1078108509.db2.gz VULHTOHOIYWBKZ-LBPRGKRZSA-N -1 3 353.386 2.712 20 5 FFBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1[n-]cnc1C(F)(F)F ZINC001471636428 1064740477 /nfs/dbraw/zinc/74/04/77/1064740477.db2.gz JTDWVBBEPVNSHH-UHFFFAOYSA-N -1 3 366.259 2.979 20 5 FFBDHM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1nc[n-]c1C(F)(F)F ZINC001471636428 1064740490 /nfs/dbraw/zinc/74/04/90/1064740490.db2.gz JTDWVBBEPVNSHH-UHFFFAOYSA-N -1 3 366.259 2.979 20 5 FFBDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001575189350 1078114879 /nfs/dbraw/zinc/11/48/79/1078114879.db2.gz OSTILAAAOLETRS-JTQLQIEISA-N -1 3 370.344 2.731 20 5 FFBDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001575189350 1078114880 /nfs/dbraw/zinc/11/48/80/1078114880.db2.gz OSTILAAAOLETRS-JTQLQIEISA-N -1 3 370.344 2.731 20 5 FFBDHM CC(C)(C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1)c1ccc([N+](=O)[O-])cc1 ZINC001471676532 1064755287 /nfs/dbraw/zinc/75/52/87/1064755287.db2.gz CECJSVMVJVKDTJ-UHFFFAOYSA-N -1 3 368.393 2.788 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)nc1 ZINC001474807181 1065612654 /nfs/dbraw/zinc/61/26/54/1065612654.db2.gz NZRGLEGORSCXGH-UHFFFAOYSA-N -1 3 361.423 2.780 20 5 FFBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001578932532 1078549415 /nfs/dbraw/zinc/54/94/15/1078549415.db2.gz SPOPHDBDYURNHX-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001578932532 1078549418 /nfs/dbraw/zinc/54/94/18/1078549418.db2.gz SPOPHDBDYURNHX-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001579431501 1078628360 /nfs/dbraw/zinc/62/83/60/1078628360.db2.gz QOFACKKBVXPINX-UHFFFAOYSA-N -1 3 373.760 2.722 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001579431501 1078628363 /nfs/dbraw/zinc/62/83/63/1078628363.db2.gz QOFACKKBVXPINX-UHFFFAOYSA-N -1 3 373.760 2.722 20 5 FFBDHM C[C@@H](OC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001580310639 1078785348 /nfs/dbraw/zinc/78/53/48/1078785348.db2.gz DBHSXZRYRCJTDE-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001580310639 1078785353 /nfs/dbraw/zinc/78/53/53/1078785353.db2.gz DBHSXZRYRCJTDE-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@H]2CCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001581909886 1079014013 /nfs/dbraw/zinc/01/40/13/1079014013.db2.gz ZFPSXSGICZOHPO-MRVPVSSYSA-N -1 3 353.333 2.595 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001581909886 1079014024 /nfs/dbraw/zinc/01/40/24/1079014024.db2.gz ZFPSXSGICZOHPO-MRVPVSSYSA-N -1 3 353.333 2.595 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN[C@H](CF)c1ccc(F)cc1 ZINC001582804260 1079110597 /nfs/dbraw/zinc/11/05/97/1079110597.db2.gz OZQFWZJPFVLAGL-CQSZACIVSA-N -1 3 360.324 2.714 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN[C@H](CF)c1ccc(F)cc1 ZINC001582804260 1079110604 /nfs/dbraw/zinc/11/06/04/1079110604.db2.gz OZQFWZJPFVLAGL-CQSZACIVSA-N -1 3 360.324 2.714 20 5 FFBDHM COC(=O)c1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001584479952 1079356185 /nfs/dbraw/zinc/35/61/85/1079356185.db2.gz PQUHKUJRNFUXQA-UHFFFAOYSA-N -1 3 351.698 2.960 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCOCC1 ZINC001561620322 1076399558 /nfs/dbraw/zinc/39/95/58/1076399558.db2.gz JFEDFGFQAKAMDD-UHFFFAOYSA-N -1 3 360.407 2.527 20 5 FFBDHM CC(=O)c1ccc(N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c([N+](=O)[O-])c1 ZINC001588915919 1080262736 /nfs/dbraw/zinc/26/27/36/1080262736.db2.gz XETHCMXEYUFRRF-OAHLLOKOSA-N -1 3 364.365 2.557 20 5 FFBDHM CC(=O)c1ccc(N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c([N+](=O)[O-])c1 ZINC001588915919 1080262743 /nfs/dbraw/zinc/26/27/43/1080262743.db2.gz XETHCMXEYUFRRF-OAHLLOKOSA-N -1 3 364.365 2.557 20 5 FFBDHM CC(=O)c1ccc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001588917498 1080263746 /nfs/dbraw/zinc/26/37/46/1080263746.db2.gz MZVODVFBCMBKRR-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001588917498 1080263753 /nfs/dbraw/zinc/26/37/53/1080263753.db2.gz MZVODVFBCMBKRR-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC001589017555 1080307197 /nfs/dbraw/zinc/30/71/97/1080307197.db2.gz FJZAYYQUNWAJGH-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC001589017555 1080307201 /nfs/dbraw/zinc/30/72/01/1080307201.db2.gz FJZAYYQUNWAJGH-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM CC(C)(C)[C@@H](NCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589094750 1080350625 /nfs/dbraw/zinc/35/06/25/1080350625.db2.gz BRDCLMZPCLEQJD-GFCCVEGCSA-N -1 3 358.324 2.842 20 5 FFBDHM CC(C)(C)[C@@H](NCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C(F)(F)F ZINC001589094750 1080350631 /nfs/dbraw/zinc/35/06/31/1080350631.db2.gz BRDCLMZPCLEQJD-GFCCVEGCSA-N -1 3 358.324 2.842 20 5 FFBDHM CC(C)[C@H]1OCCC[C@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589521141 1080579988 /nfs/dbraw/zinc/57/99/88/1080579988.db2.gz PRCRSUWQRFSGML-ZUZCIYMTSA-N -1 3 364.381 2.777 20 5 FFBDHM CC(C)[C@H]1OCCC[C@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589521141 1080579998 /nfs/dbraw/zinc/57/99/98/1080579998.db2.gz PRCRSUWQRFSGML-ZUZCIYMTSA-N -1 3 364.381 2.777 20 5 FFBDHM CC(C)Nc1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC001589729729 1080690876 /nfs/dbraw/zinc/69/08/76/1080690876.db2.gz UVOWLEKBHRFNEW-UHFFFAOYSA-N -1 3 364.416 2.598 20 5 FFBDHM CC(C)Nc1nnc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC001589729729 1080690882 /nfs/dbraw/zinc/69/08/82/1080690882.db2.gz UVOWLEKBHRFNEW-UHFFFAOYSA-N -1 3 364.416 2.598 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)N(C)c1ccccc1 ZINC001589876989 1080824850 /nfs/dbraw/zinc/82/48/50/1080824850.db2.gz COWXQZHOUUYQMV-LBPRGKRZSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)N(C)c1ccccc1 ZINC001589876989 1080824852 /nfs/dbraw/zinc/82/48/52/1080824852.db2.gz COWXQZHOUUYQMV-LBPRGKRZSA-N -1 3 353.386 2.712 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC001589876685 1080825199 /nfs/dbraw/zinc/82/51/99/1080825199.db2.gz KSPJVJLSGOBVHP-LBPRGKRZSA-N -1 3 365.397 2.638 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])N1CCc2ccccc21 ZINC001589876685 1080825205 /nfs/dbraw/zinc/82/52/05/1080825205.db2.gz KSPJVJLSGOBVHP-LBPRGKRZSA-N -1 3 365.397 2.638 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589937669 1080881530 /nfs/dbraw/zinc/88/15/30/1080881530.db2.gz VEDBDPDAFOTUFP-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589937669 1080881536 /nfs/dbraw/zinc/88/15/36/1080881536.db2.gz VEDBDPDAFOTUFP-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589938461 1080883493 /nfs/dbraw/zinc/88/34/93/1080883493.db2.gz INWBJEJYWIRXAV-MRVPVSSYSA-N -1 3 359.371 2.719 20 5 FFBDHM C[C@@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589938461 1080883497 /nfs/dbraw/zinc/88/34/97/1080883497.db2.gz INWBJEJYWIRXAV-MRVPVSSYSA-N -1 3 359.371 2.719 20 5 FFBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC001589992009 1080926397 /nfs/dbraw/zinc/92/63/97/1080926397.db2.gz WJMAIVBOAZLMLM-MRXNPFEDSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC001589992009 1080926403 /nfs/dbraw/zinc/92/64/03/1080926403.db2.gz WJMAIVBOAZLMLM-MRXNPFEDSA-N -1 3 374.788 2.748 20 5 FFBDHM Cc1cc([C@](C)(O)C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000272293677 252002228 /nfs/dbraw/zinc/00/22/28/252002228.db2.gz FVTWMDRQLVEIBQ-MRXNPFEDSA-N -1 3 368.336 2.920 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C ZINC000273417623 252303564 /nfs/dbraw/zinc/30/35/64/252303564.db2.gz JHHAJSDGQYBRJR-LLVKDONJSA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000273417623 252303569 /nfs/dbraw/zinc/30/35/69/252303569.db2.gz JHHAJSDGQYBRJR-LLVKDONJSA-N -1 3 368.390 2.870 20 5 FFBDHM COc1cc(C[NH2+]C[C@@H](Cc2ccccc2C)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000277469933 256201566 /nfs/dbraw/zinc/20/15/66/256201566.db2.gz WADWBFBDNAQSLX-OAHLLOKOSA-N -1 3 374.393 2.651 20 5 FFBDHM O=C([O-])[C@@H](CN1CCCCC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000277319535 256184513 /nfs/dbraw/zinc/18/45/13/256184513.db2.gz NWAZXXFAYOKZPZ-MRXNPFEDSA-N -1 3 373.409 2.884 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)cnc1[N-]c1cnn(Cc2nnc3n2CCCC3)c1 ZINC000277943445 256259090 /nfs/dbraw/zinc/25/90/90/256259090.db2.gz RXUHRSAZYMCXDH-UHFFFAOYSA-N -1 3 374.792 2.559 20 5 FFBDHM O=[N+]([O-])c1c(NCc2nc(COc3ccccc3)n[n-]2)nc2sccn21 ZINC000302242156 258097672 /nfs/dbraw/zinc/09/76/72/258097672.db2.gz ITVMVOPXMVZGEZ-UHFFFAOYSA-N -1 3 371.382 2.613 20 5 FFBDHM Cc1cnc([N-]c2cnn(-c3ccccc3S(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000301419247 258048277 /nfs/dbraw/zinc/04/82/77/258048277.db2.gz DFHWYYNGHCYBSQ-UHFFFAOYSA-N -1 3 373.394 2.631 20 5 FFBDHM CCOc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1[N+](=O)[O-] ZINC000301435446 258049581 /nfs/dbraw/zinc/04/95/81/258049581.db2.gz JGECEBRPAHAFNQ-UHFFFAOYSA-N -1 3 371.393 2.662 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331125423 258177874 /nfs/dbraw/zinc/17/78/74/258177874.db2.gz YOEUWRGQWFIQLD-ZIAGYGMSSA-N -1 3 356.444 2.694 20 5 FFBDHM CCCCS(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000052781310 506249003 /nfs/dbraw/zinc/24/90/03/506249003.db2.gz KIRYBNZFEIJKAS-AWEZNQCLSA-N -1 3 372.443 2.697 20 5 FFBDHM COc1cc(CNc2ccc(-c3cncnc3)cn2)c([N+](=O)[O-])cc1[O-] ZINC000366847685 512215979 /nfs/dbraw/zinc/21/59/79/512215979.db2.gz OKUNGUYJRXPTJY-UHFFFAOYSA-N -1 3 353.338 2.773 20 5 FFBDHM CCOCc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000056040716 506916437 /nfs/dbraw/zinc/91/64/37/506916437.db2.gz QVYXMHDEQYFTHA-UHFFFAOYSA-N -1 3 364.423 2.918 20 5 FFBDHM COCc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000056044783 506918020 /nfs/dbraw/zinc/91/80/20/506918020.db2.gz YARHUDAEJXRORW-UHFFFAOYSA-N -1 3 350.396 2.528 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(C)cc1 ZINC000056118323 506940131 /nfs/dbraw/zinc/94/01/31/506940131.db2.gz RGNZBYHYMYAGMU-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000046033939 507066021 /nfs/dbraw/zinc/06/60/21/507066021.db2.gz UVCHBWYINMUSAI-UHFFFAOYSA-N -1 3 356.444 2.921 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1Br ZINC000048867237 507574916 /nfs/dbraw/zinc/57/49/16/507574916.db2.gz CWQCXAJANSIXCH-UHFFFAOYSA-N -1 3 371.212 2.836 20 5 FFBDHM CCOCc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064245379 507787247 /nfs/dbraw/zinc/78/72/47/507787247.db2.gz SEYKYZSZDUKYNM-UHFFFAOYSA-N -1 3 356.425 2.671 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c(F)c1 ZINC000106893637 507826588 /nfs/dbraw/zinc/82/65/88/507826588.db2.gz RPFOOOXUDFFYKV-AWEZNQCLSA-N -1 3 354.334 2.839 20 5 FFBDHM Cc1ccc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c([N+](=O)[O-])c1 ZINC000080610722 508088673 /nfs/dbraw/zinc/08/86/73/508088673.db2.gz KZIFURYXHPSWHY-GOSISDBHSA-N -1 3 354.366 2.570 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000076190673 508168215 /nfs/dbraw/zinc/16/82/15/508168215.db2.gz PNRXRXDHYYGRBI-HNNXBMFYSA-N -1 3 350.396 2.569 20 5 FFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000076653319 508237108 /nfs/dbraw/zinc/23/71/08/508237108.db2.gz UKXVNNTVZYUUHJ-UHFFFAOYSA-N -1 3 356.342 2.804 20 5 FFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000076653319 508237111 /nfs/dbraw/zinc/23/71/11/508237111.db2.gz UKXVNNTVZYUUHJ-UHFFFAOYSA-N -1 3 356.342 2.804 20 5 FFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000076653319 508237113 /nfs/dbraw/zinc/23/71/13/508237113.db2.gz UKXVNNTVZYUUHJ-UHFFFAOYSA-N -1 3 356.342 2.804 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000152310666 508421195 /nfs/dbraw/zinc/42/11/95/508421195.db2.gz VGAIPBMGCZWSDI-LLVKDONJSA-N -1 3 368.436 2.905 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1cccc(F)c1 ZINC000122313594 508516722 /nfs/dbraw/zinc/51/67/22/508516722.db2.gz ZKQPQCLFYGADKN-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157656751 508593397 /nfs/dbraw/zinc/59/33/97/508593397.db2.gz FIIUEVYVAGEHAQ-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000118493697 508652534 /nfs/dbraw/zinc/65/25/34/508652534.db2.gz GNGUSICFZLELFM-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM CC(C)n1cnc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000153922253 508678112 /nfs/dbraw/zinc/67/81/12/508678112.db2.gz JHWRYSFQTYVKFA-UHFFFAOYSA-N -1 3 352.416 2.586 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2nc(C(C)C)cs2)c([N+](=O)[O-])c1 ZINC000154059697 508709349 /nfs/dbraw/zinc/70/93/49/508709349.db2.gz FRVOASZYVOVWGX-UHFFFAOYSA-N -1 3 371.440 2.662 20 5 FFBDHM C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000119188721 508744023 /nfs/dbraw/zinc/74/40/23/508744023.db2.gz ZYNNKEQWXAMUKV-XJKSGUPXSA-N -1 3 355.394 2.693 20 5 FFBDHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125540169 508997107 /nfs/dbraw/zinc/99/71/07/508997107.db2.gz BZJDGDGFOLQWDX-LBPRGKRZSA-N -1 3 368.436 2.939 20 5 FFBDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120784191 509064583 /nfs/dbraw/zinc/06/45/83/509064583.db2.gz RBHMAQCXUMVIEC-SNVBAGLBSA-N -1 3 367.427 2.726 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)c1 ZINC000161654977 509139669 /nfs/dbraw/zinc/13/96/69/509139669.db2.gz GYSXAGRQOKKOGI-JTQLQIEISA-N -1 3 362.835 2.793 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)c1 ZINC000161654865 509140113 /nfs/dbraw/zinc/14/01/13/509140113.db2.gz GYSXAGRQOKKOGI-SNVBAGLBSA-N -1 3 362.835 2.793 20 5 FFBDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000185448081 509182342 /nfs/dbraw/zinc/18/23/42/509182342.db2.gz DUATTYIBUDWTJR-ZDUSSCGKSA-N -1 3 370.409 2.651 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000162819190 509307747 /nfs/dbraw/zinc/30/77/47/509307747.db2.gz CAILFFXRYWQODQ-BXUZGUMPSA-N -1 3 374.846 2.793 20 5 FFBDHM O=C([N-]c1nnc2n1CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000162834327 509309254 /nfs/dbraw/zinc/30/92/54/509309254.db2.gz WQCWEAQRVQWBLX-UHFFFAOYSA-N -1 3 366.175 2.537 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000185845005 509382271 /nfs/dbraw/zinc/38/22/71/509382271.db2.gz APPXABDICDVURL-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000186310033 509638264 /nfs/dbraw/zinc/63/82/64/509638264.db2.gz JVAXVXAVZCJISR-GFCCVEGCSA-N -1 3 370.358 2.691 20 5 FFBDHM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176695716 509647028 /nfs/dbraw/zinc/64/70/28/509647028.db2.gz MLIUNXPTFMXERT-UHFFFAOYSA-N -1 3 373.818 2.682 20 5 FFBDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000179875941 509657808 /nfs/dbraw/zinc/65/78/08/509657808.db2.gz HDKHPENUMMTFCE-DZGCQCFKSA-N -1 3 356.444 2.857 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2nccs2)c1C ZINC000186688257 509853247 /nfs/dbraw/zinc/85/32/47/509853247.db2.gz AOXANIRSMPDFSO-JTQLQIEISA-N -1 3 355.441 2.750 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000173973266 509881814 /nfs/dbraw/zinc/88/18/14/509881814.db2.gz JRAUPWBWPWNNSM-UHFFFAOYSA-N -1 3 355.397 2.589 20 5 FFBDHM Cc1cc(C)n(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)n1 ZINC000186926592 509955447 /nfs/dbraw/zinc/95/54/47/509955447.db2.gz YTHOHSWTRVCOFX-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM CCO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000193543897 509958232 /nfs/dbraw/zinc/95/82/32/509958232.db2.gz FYMXVBWTGLCIBH-MRXNPFEDSA-N -1 3 364.423 2.959 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1coc(-c2ccccc2)n1 ZINC000184574091 510395720 /nfs/dbraw/zinc/39/57/20/510395720.db2.gz JLIMOSCOWFJLDQ-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM O=C(Nc1cccc(OCC(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188298878 510696163 /nfs/dbraw/zinc/69/61/63/510696163.db2.gz CIIXNJKYTUQJDI-UHFFFAOYSA-N -1 3 357.244 2.889 20 5 FFBDHM CCc1nnc(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)o1 ZINC000175814746 510804219 /nfs/dbraw/zinc/80/42/19/510804219.db2.gz MFHBIEWHFLWAIZ-UHFFFAOYSA-N -1 3 355.310 2.560 20 5 FFBDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cn1 ZINC000282605191 511042747 /nfs/dbraw/zinc/04/27/47/511042747.db2.gz GOGXEXBOCFEMNH-UHFFFAOYSA-N -1 3 362.317 2.732 20 5 FFBDHM COc1cc(C(=O)[N-]c2ncc(C(C)(C)O)s2)c([N+](=O)[O-])cc1F ZINC000296059605 511605023 /nfs/dbraw/zinc/60/50/23/511605023.db2.gz OCGAJACEYCTAJW-UHFFFAOYSA-N -1 3 355.347 2.679 20 5 FFBDHM O=C([O-])c1cnc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301637308 511698709 /nfs/dbraw/zinc/69/87/09/511698709.db2.gz MOCRUYRXUMMWFG-UHFFFAOYSA-N -1 3 356.382 2.765 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3cc(N)ccc32)cc1C ZINC000327115094 511869844 /nfs/dbraw/zinc/86/98/44/511869844.db2.gz CXNCCZZIXRSMHY-HNNXBMFYSA-N -1 3 361.423 2.760 20 5 FFBDHM O=C([N-]Cc1cccnc1-n1cccn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371538465 512454184 /nfs/dbraw/zinc/45/41/84/512454184.db2.gz LLRBCDGXVZDKKF-UHFFFAOYSA-N -1 3 373.319 2.584 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000389992428 512904766 /nfs/dbraw/zinc/90/47/66/512904766.db2.gz OWELPSBOBNEHHG-BBRMVZONSA-N -1 3 355.394 2.551 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN2CCC[C@@H](C)C2)cc1C ZINC000440077455 513241154 /nfs/dbraw/zinc/24/11/54/513241154.db2.gz LFWFUPGXMAVFSJ-IUODEOHRSA-N -1 3 369.487 2.610 20 5 FFBDHM C[C@@H]1CCc2onc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c2C1 ZINC000434523279 513347019 /nfs/dbraw/zinc/34/70/19/513347019.db2.gz NPLSLNJQCYWJCS-SNVBAGLBSA-N -1 3 367.365 2.772 20 5 FFBDHM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nncn2C)cc1 ZINC000429468858 513383685 /nfs/dbraw/zinc/38/36/85/513383685.db2.gz LIHMEGRGMDXYEX-UHFFFAOYSA-N -1 3 369.337 2.777 20 5 FFBDHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000435579866 513623968 /nfs/dbraw/zinc/62/39/68/513623968.db2.gz NLENGQPBASEKHU-UHFFFAOYSA-N -1 3 370.427 2.977 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])nc1C ZINC000435629309 513644212 /nfs/dbraw/zinc/64/42/12/513644212.db2.gz TZUQYPFDSSLVSY-UHFFFAOYSA-N -1 3 365.367 2.797 20 5 FFBDHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000451286513 513654585 /nfs/dbraw/zinc/65/45/85/513654585.db2.gz OCBVQBIJUSAPTA-AWEZNQCLSA-N -1 3 365.411 2.818 20 5 FFBDHM COC(=O)c1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)cc([N+](=O)[O-])c1 ZINC000448416178 513753996 /nfs/dbraw/zinc/75/39/96/513753996.db2.gz UPDVDSFUVVGRCW-UHFFFAOYSA-N -1 3 373.365 2.875 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416539541 513823415 /nfs/dbraw/zinc/82/34/15/513823415.db2.gz SLLOXPRJTVYDBW-JTQLQIEISA-N -1 3 367.452 2.721 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)CCCc1cccnc1 ZINC000416542181 513825161 /nfs/dbraw/zinc/82/51/61/513825161.db2.gz XDTXPUGIZZOAPT-AWEZNQCLSA-N -1 3 363.439 2.988 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)c1C ZINC000416653648 513890301 /nfs/dbraw/zinc/89/03/01/513890301.db2.gz TZMROKQIRVUGPV-OAHLLOKOSA-N -1 3 362.407 2.761 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000443209526 513901951 /nfs/dbraw/zinc/90/19/51/513901951.db2.gz GDRXUPFBGUGQOJ-LBPRGKRZSA-N -1 3 368.798 2.920 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)cc1C ZINC000443316851 513933139 /nfs/dbraw/zinc/93/31/39/513933139.db2.gz PXJOJWZNQIZPAT-OAHLLOKOSA-N -1 3 370.471 2.821 20 5 FFBDHM COc1cc(-c2noc(COc3ccc([N+](=O)[O-])c(OC)c3)n2)ccc1[O-] ZINC000436792187 513983069 /nfs/dbraw/zinc/98/30/69/513983069.db2.gz VGJITHZODOBPIS-UHFFFAOYSA-N -1 3 373.321 2.947 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000451804175 513991177 /nfs/dbraw/zinc/99/11/77/513991177.db2.gz RYIOYRPUJJFRCF-LLVKDONJSA-N -1 3 374.846 2.876 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000451812295 513995757 /nfs/dbraw/zinc/99/57/57/513995757.db2.gz CIHNHSLIZFWHKT-GDBMZVCRSA-N -1 3 370.471 2.941 20 5 FFBDHM C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CN1Cc1ccccc1 ZINC000436888761 514021502 /nfs/dbraw/zinc/02/15/02/514021502.db2.gz UBBPYDPWEDQYKG-UKRRQHHQSA-N -1 3 355.394 2.693 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436968160 514055047 /nfs/dbraw/zinc/05/50/47/514055047.db2.gz SSFNVSSEJBAXPN-DZGCQCFKSA-N -1 3 355.394 2.866 20 5 FFBDHM COc1cccc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1[N+](=O)[O-] ZINC000444352036 514203579 /nfs/dbraw/zinc/20/35/79/514203579.db2.gz MFGFRSPPTQBHTF-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)c1C ZINC000466567723 514694087 /nfs/dbraw/zinc/69/40/87/514694087.db2.gz QCPJQUVSNWXYRQ-IAGOWNOFSA-N -1 3 368.455 2.695 20 5 FFBDHM Cc1cc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461778584 514732787 /nfs/dbraw/zinc/73/27/87/514732787.db2.gz IHSXGZBLLVATIX-UHFFFAOYSA-N -1 3 359.357 2.710 20 5 FFBDHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000466883978 514813935 /nfs/dbraw/zinc/81/39/35/514813935.db2.gz SXQKFZYHOLXKOV-JSGCOSHPSA-N -1 3 362.835 2.730 20 5 FFBDHM O=C(Nc1ccnn1Cc1ccccc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000476175033 514935785 /nfs/dbraw/zinc/93/57/85/514935785.db2.gz VBDQNVBJCYXZSX-UHFFFAOYSA-N -1 3 362.349 2.968 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000480726150 515059203 /nfs/dbraw/zinc/05/92/03/515059203.db2.gz LMAQSJSMBMNPEE-JTQLQIEISA-N -1 3 354.359 2.782 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000462488213 515079795 /nfs/dbraw/zinc/07/97/95/515079795.db2.gz VKROLPZJEXJSQO-KBPBESRZSA-N -1 3 354.428 2.851 20 5 FFBDHM CCCC1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000467774504 515112280 /nfs/dbraw/zinc/11/22/80/515112280.db2.gz YTSMJVHSSDEXHU-UHFFFAOYSA-N -1 3 370.427 2.615 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)c1C ZINC000480926157 515137814 /nfs/dbraw/zinc/13/78/14/515137814.db2.gz KNHXXMMNIVDQFS-KBPBESRZSA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccccc2F)c1C ZINC000480932427 515139930 /nfs/dbraw/zinc/13/99/30/515139930.db2.gz JFYXFVGSYRIJRQ-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000462711330 515205730 /nfs/dbraw/zinc/20/57/30/515205730.db2.gz ZNSYQLLUAKDURX-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000462902788 515289774 /nfs/dbraw/zinc/28/97/74/515289774.db2.gz LWEWWSMVXUYCHH-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000462902788 515289782 /nfs/dbraw/zinc/28/97/82/515289782.db2.gz LWEWWSMVXUYCHH-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000457136541 515680474 /nfs/dbraw/zinc/68/04/74/515680474.db2.gz CYZUQPRLHILYDY-UHFFFAOYSA-N -1 3 366.175 2.537 20 5 FFBDHM COc1ccccc1CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000478153302 515718872 /nfs/dbraw/zinc/71/88/72/515718872.db2.gz WJQVSCKTEWKNBC-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469222088 515729257 /nfs/dbraw/zinc/72/92/57/515729257.db2.gz ZDAATYKADFVFRV-GOSISDBHSA-N -1 3 355.394 2.867 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1 ZINC000511035310 515753439 /nfs/dbraw/zinc/75/34/39/515753439.db2.gz SSPVKYIPVBNVNT-SECBINFHSA-N -1 3 357.338 2.616 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473858392 515779117 /nfs/dbraw/zinc/77/91/17/515779117.db2.gz QIQPHIWDRAFKTF-CZUORRHYSA-N -1 3 358.398 2.799 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2cc(Br)c(F)cc2F)c1[N+](=O)[O-] ZINC000469510865 515846090 /nfs/dbraw/zinc/84/60/90/515846090.db2.gz SNHMBFPFGOGFLD-UHFFFAOYSA-N -1 3 361.102 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)c(F)c1 ZINC000511425685 515900861 /nfs/dbraw/zinc/90/08/61/515900861.db2.gz BQRMSDICOYVPHM-UHFFFAOYSA-N -1 3 365.386 2.529 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000507270868 516148719 /nfs/dbraw/zinc/14/87/19/516148719.db2.gz DGBVHYYVFXXYEE-CYBMUJFWSA-N -1 3 369.487 2.692 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507535689 516234717 /nfs/dbraw/zinc/23/47/17/516234717.db2.gz VTXKALIBQCDUBJ-UHFFFAOYSA-N -1 3 350.396 2.528 20 5 FFBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000517602316 516381067 /nfs/dbraw/zinc/38/10/67/516381067.db2.gz GRAONAHJZOAUGP-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1OCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000535890716 516543961 /nfs/dbraw/zinc/54/39/61/516543961.db2.gz CADATULQTSTVLP-UHFFFAOYSA-N -1 3 364.379 2.536 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000536690735 516896267 /nfs/dbraw/zinc/89/62/67/516896267.db2.gz YMIQDXSPYRSKBV-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000536690735 516896270 /nfs/dbraw/zinc/89/62/70/516896270.db2.gz YMIQDXSPYRSKBV-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncn2-c2ccccc2)c1 ZINC000558986601 517031638 /nfs/dbraw/zinc/03/16/38/517031638.db2.gz HKJSKVMZZSBEKB-UHFFFAOYSA-N -1 3 353.338 2.827 20 5 FFBDHM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000537183808 517073158 /nfs/dbraw/zinc/07/31/58/517073158.db2.gz QFHXRBMRRSIMFY-ZEGGKSINSA-N -1 3 362.835 2.586 20 5 FFBDHM CC(=O)c1sc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000541859530 517257588 /nfs/dbraw/zinc/25/75/88/517257588.db2.gz QUDUABNKYAUCFN-UHFFFAOYSA-N -1 3 371.378 2.907 20 5 FFBDHM CC(C)(C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000545873094 517407236 /nfs/dbraw/zinc/40/72/36/517407236.db2.gz XWOUXDGGRDKMAN-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC(C)(C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000545873094 517407246 /nfs/dbraw/zinc/40/72/46/517407246.db2.gz XWOUXDGGRDKMAN-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC(C)(C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000545873094 517407258 /nfs/dbraw/zinc/40/72/58/517407258.db2.gz XWOUXDGGRDKMAN-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546074003 517528561 /nfs/dbraw/zinc/52/85/61/517528561.db2.gz GLNBJDFJFKSWJN-OAHLLOKOSA-N -1 3 362.407 2.765 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc([N+](=O)[O-])c1 ZINC000533618309 517549244 /nfs/dbraw/zinc/54/92/44/517549244.db2.gz BYKXQOXXRMYWKT-UHFFFAOYSA-N -1 3 370.770 2.610 20 5 FFBDHM Cc1nc(C2CC2)oc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000546155271 517571773 /nfs/dbraw/zinc/57/17/73/517571773.db2.gz QMGUBLOFGHFQIR-UHFFFAOYSA-N -1 3 354.326 2.806 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)Cc1ccsc1 ZINC000516148184 517585937 /nfs/dbraw/zinc/58/59/37/517585937.db2.gz ITSUVAVRQNEKLJ-SNVBAGLBSA-N -1 3 356.425 2.574 20 5 FFBDHM COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000549687652 517659172 /nfs/dbraw/zinc/65/91/72/517659172.db2.gz MZFNUKKVICMABQ-GUYCJALGSA-N -1 3 358.394 2.810 20 5 FFBDHM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)nc1C(C)C ZINC000560677997 517968146 /nfs/dbraw/zinc/96/81/46/517968146.db2.gz LQMCADFEQCZIQR-UHFFFAOYSA-N -1 3 350.356 2.609 20 5 FFBDHM C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000584783360 518476153 /nfs/dbraw/zinc/47/61/53/518476153.db2.gz QSLNKKISIWUCIF-STQMWFEESA-N -1 3 351.403 2.594 20 5 FFBDHM COC(=O)c1nsc([N-]C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000570401320 518588410 /nfs/dbraw/zinc/58/84/10/518588410.db2.gz OUDCXQWJDHDFQW-UHFFFAOYSA-N -1 3 350.356 2.609 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000570635150 518704324 /nfs/dbraw/zinc/70/43/24/518704324.db2.gz XQHVPENOFIOLQJ-LSDHHAIUSA-N -1 3 356.382 2.854 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2F)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000582364628 518717508 /nfs/dbraw/zinc/71/75/08/518717508.db2.gz MZFRGLZXRKJRCB-CLAHSXSESA-N -1 3 374.415 2.504 20 5 FFBDHM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1[O-] ZINC000588095181 518721962 /nfs/dbraw/zinc/72/19/62/518721962.db2.gz IINIBNZCHULOEQ-UHFFFAOYSA-N -1 3 365.729 2.575 20 5 FFBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000582754055 518903803 /nfs/dbraw/zinc/90/38/03/518903803.db2.gz CYKSGFMBJGGAHN-CQSZACIVSA-N -1 3 370.452 2.694 20 5 FFBDHM C[C@@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000573976415 518927816 /nfs/dbraw/zinc/92/78/16/518927816.db2.gz AOHZYNZDTWCOTE-LJQANCHMSA-N -1 3 355.394 2.695 20 5 FFBDHM O=C([O-])Cc1ccc(N[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000571884607 519327816 /nfs/dbraw/zinc/32/78/16/519327816.db2.gz UDEXAKGSKVEJKM-MRXNPFEDSA-N -1 3 355.394 2.908 20 5 FFBDHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594480202 519989092 /nfs/dbraw/zinc/98/90/92/519989092.db2.gz MNDPLNBRUANJTE-HOMQSWHASA-N -1 3 362.835 2.873 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594486852 519996946 /nfs/dbraw/zinc/99/69/46/519996946.db2.gz JTLRIQKMUSWTPO-HIFRSBDPSA-N -1 3 356.444 2.838 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cn2c1 ZINC000616411606 520005067 /nfs/dbraw/zinc/00/50/67/520005067.db2.gz ASTXEHREXBGTQO-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594768099 520145150 /nfs/dbraw/zinc/14/51/50/520145150.db2.gz JETYWCAOTWCSSV-MRVPVSSYSA-N -1 3 363.317 2.762 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594852990 520188839 /nfs/dbraw/zinc/18/88/39/520188839.db2.gz UZCHQQGMWQQRSU-LLVKDONJSA-N -1 3 354.762 2.880 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594851797 520189326 /nfs/dbraw/zinc/18/93/26/520189326.db2.gz CTRHOMICZCJFSV-SGMGOOAPSA-N -1 3 361.423 2.858 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000594856795 520191728 /nfs/dbraw/zinc/19/17/28/520191728.db2.gz BMKLQXHZSJRUQW-LLVKDONJSA-N -1 3 363.233 2.824 20 5 FFBDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592112827 520192091 /nfs/dbraw/zinc/19/20/91/520192091.db2.gz MDHGWEAUJPHOHT-XVKPBYJWSA-N -1 3 370.374 2.786 20 5 FFBDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609420559 520306643 /nfs/dbraw/zinc/30/66/43/520306643.db2.gz QWMFJXOYOANTMM-QMMMGPOBSA-N -1 3 351.222 2.824 20 5 FFBDHM Cn1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)nnc1C1CC1 ZINC000597899237 520314448 /nfs/dbraw/zinc/31/44/48/520314448.db2.gz XQYWHQIEPXTMHU-UHFFFAOYSA-N -1 3 355.276 2.872 20 5 FFBDHM CCSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000595348701 520421305 /nfs/dbraw/zinc/42/13/05/520421305.db2.gz NIHCARPQDGWWDE-UHFFFAOYSA-N -1 3 350.849 2.812 20 5 FFBDHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000604027646 520430047 /nfs/dbraw/zinc/43/00/47/520430047.db2.gz QRDJQBUZDXAANS-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000595364178 520431374 /nfs/dbraw/zinc/43/13/74/520431374.db2.gz DYHRATZSENQSJY-CYBMUJFWSA-N -1 3 362.835 2.732 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(C)c(C(=O)OC)s2)c1[N+](=O)[O-] ZINC000598323981 520557767 /nfs/dbraw/zinc/55/77/67/520557767.db2.gz BYNCOJJDPWBULV-UHFFFAOYSA-N -1 3 352.372 2.679 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CCC2)nc1 ZINC000593578634 521088007 /nfs/dbraw/zinc/08/80/07/521088007.db2.gz KWTLPOZGQSVYGX-UHFFFAOYSA-N -1 3 365.386 2.573 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)nc1 ZINC000593586978 521092786 /nfs/dbraw/zinc/09/27/86/521092786.db2.gz VSIGWKFEKDGSQD-HUUCEWRRSA-N -1 3 361.423 2.995 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2SC)c([N+](=O)[O-])c1 ZINC000593623221 521114528 /nfs/dbraw/zinc/11/45/28/521114528.db2.gz YHDPGLAFSQXCRQ-DGCLKSJQSA-N -1 3 360.457 2.556 20 5 FFBDHM O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534738 521207519 /nfs/dbraw/zinc/20/75/19/521207519.db2.gz GQISATKDSNICRY-MRXNPFEDSA-N -1 3 369.421 2.942 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC000619486857 521594046 /nfs/dbraw/zinc/59/40/46/521594046.db2.gz DDJANVHGYFIREX-QWHCGFSZSA-N -1 3 354.428 2.851 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1cccc(F)c1F ZINC000619494164 521596003 /nfs/dbraw/zinc/59/60/03/521596003.db2.gz DQTQEGDVIJNQNR-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000619752425 521854877 /nfs/dbraw/zinc/85/48/77/521854877.db2.gz ZJIWTWZGPWAQNS-QMMMGPOBSA-N -1 3 360.388 2.844 20 5 FFBDHM O=[N+]([O-])c1ccc(OC2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000823643770 599091550 /nfs/dbraw/zinc/09/15/50/599091550.db2.gz AOGGCQCTGUCQPI-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737956016 599186271 /nfs/dbraw/zinc/18/62/71/599186271.db2.gz SLEBBYZCUNSKBG-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737956016 599186273 /nfs/dbraw/zinc/18/62/73/599186273.db2.gz SLEBBYZCUNSKBG-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM C[C@@H]1C[C@H](C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736229777 599252335 /nfs/dbraw/zinc/25/23/35/599252335.db2.gz RUZNHGLVRNKHBP-PHIMTYICSA-N -1 3 353.386 2.805 20 5 FFBDHM C[C@@H]1C[C@H](C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736229777 599252340 /nfs/dbraw/zinc/25/23/40/599252340.db2.gz RUZNHGLVRNKHBP-PHIMTYICSA-N -1 3 353.386 2.805 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCCCO3)c(-c2nnn[n-]2)c1 ZINC000738370034 598459180 /nfs/dbraw/zinc/45/91/80/598459180.db2.gz MVLWZKXUTKEVEY-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCCCO3)c(-c2nn[n-]n2)c1 ZINC000738370034 598459182 /nfs/dbraw/zinc/45/91/82/598459182.db2.gz MVLWZKXUTKEVEY-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM COc1ccccc1CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CC1 ZINC000737150688 598815577 /nfs/dbraw/zinc/81/55/77/598815577.db2.gz RRWBQOICUQRELC-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM COc1ccccc1CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CC1 ZINC000737150688 598815578 /nfs/dbraw/zinc/81/55/78/598815578.db2.gz RRWBQOICUQRELC-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000735670567 599304605 /nfs/dbraw/zinc/30/46/05/599304605.db2.gz BVUXIRRGLUUTES-UHFFFAOYSA-N -1 3 357.349 2.699 20 5 FFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000735670567 599304607 /nfs/dbraw/zinc/30/46/07/599304607.db2.gz BVUXIRRGLUUTES-UHFFFAOYSA-N -1 3 357.349 2.699 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823647516 599312495 /nfs/dbraw/zinc/31/24/95/599312495.db2.gz LEZWIZYHHSVXEU-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823647516 599312498 /nfs/dbraw/zinc/31/24/98/599312498.db2.gz LEZWIZYHHSVXEU-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821882651 599586085 /nfs/dbraw/zinc/58/60/85/599586085.db2.gz GTIXHRZASWQIBZ-SJLPKXTDSA-N -1 3 366.381 2.926 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821882651 599586087 /nfs/dbraw/zinc/58/60/87/599586087.db2.gz GTIXHRZASWQIBZ-SJLPKXTDSA-N -1 3 366.381 2.926 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000826252575 607400245 /nfs/dbraw/zinc/40/02/45/607400245.db2.gz IPFMYABLTBVVDW-UHFFFAOYSA-N -1 3 359.729 2.956 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000826252575 607400247 /nfs/dbraw/zinc/40/02/47/607400247.db2.gz IPFMYABLTBVVDW-UHFFFAOYSA-N -1 3 359.729 2.956 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000826245811 607431088 /nfs/dbraw/zinc/43/10/88/607431088.db2.gz IPSOYUYIAFJJOZ-LLVKDONJSA-N -1 3 364.365 2.675 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000826245811 607431089 /nfs/dbraw/zinc/43/10/89/607431089.db2.gz IPSOYUYIAFJJOZ-LLVKDONJSA-N -1 3 364.365 2.675 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(NCCOc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826498539 607465754 /nfs/dbraw/zinc/46/57/54/607465754.db2.gz ZUDFOLNARVCGJD-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=C(CC1CCCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403861 607523377 /nfs/dbraw/zinc/52/33/77/607523377.db2.gz GIDCYXFSKKCVKG-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM O=C(CC1CCCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403861 607523379 /nfs/dbraw/zinc/52/33/79/607523379.db2.gz GIDCYXFSKKCVKG-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824029922 607536879 /nfs/dbraw/zinc/53/68/79/607536879.db2.gz VHVCWPHTOFWTDK-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000824029922 607536881 /nfs/dbraw/zinc/53/68/81/607536881.db2.gz VHVCWPHTOFWTDK-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000829026239 604648812 /nfs/dbraw/zinc/64/88/12/604648812.db2.gz IPWMJEQJJKSVSU-MRXNPFEDSA-N -1 3 371.393 2.732 20 5 FFBDHM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409159 604931809 /nfs/dbraw/zinc/93/18/09/604931809.db2.gz KKEYJUQPECHSHG-STQMWFEESA-N -1 3 363.414 2.745 20 5 FFBDHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824394314 607732932 /nfs/dbraw/zinc/73/29/32/607732932.db2.gz XLYUKUVZCUDUGB-RNCFNFMXSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824394314 607732933 /nfs/dbraw/zinc/73/29/33/607732933.db2.gz XLYUKUVZCUDUGB-RNCFNFMXSA-N -1 3 360.399 2.761 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCC1([C@H](O)c2ccccc2)CC1 ZINC000826497701 607735439 /nfs/dbraw/zinc/73/54/39/607735439.db2.gz QNSCFEGJGSBYEL-MRXNPFEDSA-N -1 3 366.381 2.701 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCC1([C@H](O)c2ccccc2)CC1 ZINC000826497701 607735440 /nfs/dbraw/zinc/73/54/40/607735440.db2.gz QNSCFEGJGSBYEL-MRXNPFEDSA-N -1 3 366.381 2.701 20 5 FFBDHM O=C([O-])NC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc2ccccc2c1 ZINC000834207185 605974088 /nfs/dbraw/zinc/97/40/88/605974088.db2.gz OSPFNRCWVJCDRT-INIZCTEOSA-N -1 3 369.381 2.543 20 5 FFBDHM CCOCc1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821383681 606645011 /nfs/dbraw/zinc/64/50/11/606645011.db2.gz HNBUVPQQTADMMJ-UHFFFAOYSA-N -1 3 354.370 2.924 20 5 FFBDHM O=[N+]([O-])c1cc(NC[C@H](O)c2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000823635480 606645325 /nfs/dbraw/zinc/64/53/25/606645325.db2.gz XQVNWCRXPPAAOH-AWEZNQCLSA-N -1 3 360.761 2.574 20 5 FFBDHM COc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1F ZINC000821719362 606919489 /nfs/dbraw/zinc/91/94/89/606919489.db2.gz CPSJJXNDJNWZPY-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM COc1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1F ZINC000821719362 606919490 /nfs/dbraw/zinc/91/94/90/606919490.db2.gz CPSJJXNDJNWZPY-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM COc1ccc(C)cc1CSc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821783114 606946892 /nfs/dbraw/zinc/94/68/92/606946892.db2.gz WVTLCQLDRMBRRZ-UHFFFAOYSA-N -1 3 358.383 2.779 20 5 FFBDHM Cc1nn(Cc2ccc(F)cc2-c2nnn[n-]2)c2ccc([N+](=O)[O-])cc12 ZINC000822500972 606984749 /nfs/dbraw/zinc/98/47/49/606984749.db2.gz PGJJOINDTYVKQZ-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM Cc1nn(Cc2ccc(F)cc2-c2nn[n-]n2)c2ccc([N+](=O)[O-])cc12 ZINC000822500972 606984750 /nfs/dbraw/zinc/98/47/50/606984750.db2.gz PGJJOINDTYVKQZ-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000821304565 607100623 /nfs/dbraw/zinc/10/06/23/607100623.db2.gz LCYJBHRREVJQIT-UHFFFAOYSA-N -1 3 367.369 2.767 20 5 FFBDHM C[C@]1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000820635822 607116136 /nfs/dbraw/zinc/11/61/36/607116136.db2.gz OCKZKAUQXQYFEN-GOSISDBHSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@]1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000820635822 607116139 /nfs/dbraw/zinc/11/61/39/607116139.db2.gz OCKZKAUQXQYFEN-GOSISDBHSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000820769225 607116148 /nfs/dbraw/zinc/11/61/48/607116148.db2.gz RUGBHASMHOYLLA-BONVTDFDSA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000820769225 607116151 /nfs/dbraw/zinc/11/61/51/607116151.db2.gz RUGBHASMHOYLLA-BONVTDFDSA-N -1 3 372.410 2.803 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826498391 607875922 /nfs/dbraw/zinc/87/59/22/607875922.db2.gz SKCZDBGSTCHFHG-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826498391 607875923 /nfs/dbraw/zinc/87/59/23/607875923.db2.gz SKCZDBGSTCHFHG-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM CCc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1[N+](=O)[O-] ZINC000825704445 607950935 /nfs/dbraw/zinc/95/09/35/607950935.db2.gz IQDUFKQGYQZICB-UHFFFAOYSA-N -1 3 364.365 2.540 20 5 FFBDHM CCc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1[N+](=O)[O-] ZINC000825704445 607950936 /nfs/dbraw/zinc/95/09/36/607950936.db2.gz IQDUFKQGYQZICB-UHFFFAOYSA-N -1 3 364.365 2.540 20 5 FFBDHM O=[N+]([O-])c1ccc(CNCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000826498051 608131778 /nfs/dbraw/zinc/13/17/78/608131778.db2.gz FTJCCDQNFVFQHO-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM CC(=CC(=O)OCc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823943739 608141535 /nfs/dbraw/zinc/14/15/35/608141535.db2.gz RZCAEVATVKDDPK-ZRDIBKRKSA-N -1 3 365.349 2.922 20 5 FFBDHM CC(=CC(=O)OCc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823943739 608141536 /nfs/dbraw/zinc/14/15/36/608141536.db2.gz RZCAEVATVKDDPK-ZRDIBKRKSA-N -1 3 365.349 2.922 20 5 FFBDHM O=[N+]([O-])c1ccc(CN(c2ncc(-c3nnn[n-]3)cc2Cl)C2CC2)cc1 ZINC000826498329 608153938 /nfs/dbraw/zinc/15/39/38/608153938.db2.gz PWGVTNGSLSSUAD-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM O=[N+]([O-])c1ccc(CN(c2ncc(-c3nn[n-]n3)cc2Cl)C2CC2)cc1 ZINC000826498329 608153939 /nfs/dbraw/zinc/15/39/39/608153939.db2.gz PWGVTNGSLSSUAD-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM CC(C)(C)OC(=O)CCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824100762 608295606 /nfs/dbraw/zinc/29/56/06/608295606.db2.gz XBXQGUNHYFKLMG-UHFFFAOYSA-N -1 3 362.390 2.699 20 5 FFBDHM CC(C)(C)OC(=O)CCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824100762 608295609 /nfs/dbraw/zinc/29/56/09/608295609.db2.gz XBXQGUNHYFKLMG-UHFFFAOYSA-N -1 3 362.390 2.699 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000826273265 608384757 /nfs/dbraw/zinc/38/47/57/608384757.db2.gz WJGZQOPZDUALIX-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000826273265 608384759 /nfs/dbraw/zinc/38/47/59/608384759.db2.gz WJGZQOPZDUALIX-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000824648445 608415803 /nfs/dbraw/zinc/41/58/03/608415803.db2.gz GMALBRIXQILWCF-VIFPVBQESA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000824648445 608415804 /nfs/dbraw/zinc/41/58/04/608415804.db2.gz GMALBRIXQILWCF-VIFPVBQESA-N -1 3 355.314 2.856 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826409283 608451699 /nfs/dbraw/zinc/45/16/99/608451699.db2.gz QEFAOXASNLYHQI-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826409283 608451701 /nfs/dbraw/zinc/45/17/01/608451701.db2.gz QEFAOXASNLYHQI-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824507040 608474067 /nfs/dbraw/zinc/47/40/67/608474067.db2.gz SDLXNWLANXADHQ-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824507040 608474069 /nfs/dbraw/zinc/47/40/69/608474069.db2.gz SDLXNWLANXADHQ-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(c2cccnc2)CC1 ZINC000826497649 608554041 /nfs/dbraw/zinc/55/40/41/608554041.db2.gz OMAVFJHTUCBJQH-UHFFFAOYSA-N -1 3 351.370 2.554 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(c2cccnc2)CC1 ZINC000826497649 608554042 /nfs/dbraw/zinc/55/40/42/608554042.db2.gz OMAVFJHTUCBJQH-UHFFFAOYSA-N -1 3 351.370 2.554 20 5 FFBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826454174 608573939 /nfs/dbraw/zinc/57/39/39/608573939.db2.gz LXEFJTBNZQSTDR-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826454174 608573940 /nfs/dbraw/zinc/57/39/40/608573940.db2.gz LXEFJTBNZQSTDR-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826263935 608757393 /nfs/dbraw/zinc/75/73/93/608757393.db2.gz WKXYNTQEQVJJIX-UHFFFAOYSA-N -1 3 366.381 2.630 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826263935 608757394 /nfs/dbraw/zinc/75/73/94/608757394.db2.gz WKXYNTQEQVJJIX-UHFFFAOYSA-N -1 3 366.381 2.630 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826420985 609506708 /nfs/dbraw/zinc/50/67/08/609506708.db2.gz MGSXOASOTVLTIP-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826420985 609506710 /nfs/dbraw/zinc/50/67/10/609506710.db2.gz MGSXOASOTVLTIP-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(C)c1C ZINC000117227540 728576668 /nfs/dbraw/zinc/57/66/68/728576668.db2.gz MGSZOMUYXIDAFP-UHFFFAOYSA-N -1 3 351.384 2.603 20 5 FFBDHM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000129496732 728711783 /nfs/dbraw/zinc/71/17/83/728711783.db2.gz PSQSLARBQDXVFQ-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000859347823 730451185 /nfs/dbraw/zinc/45/11/85/730451185.db2.gz HIGAIMHUFNUUCQ-ZDUSSCGKSA-N -1 3 373.862 2.543 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)C(C)(F)F)c([N+](=O)[O-])c1 ZINC000867788333 731226035 /nfs/dbraw/zinc/22/60/35/731226035.db2.gz ZXMSEGNEJGEIDM-UHFFFAOYSA-N -1 3 352.359 2.563 20 5 FFBDHM COc1c([O-])ccc(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000895468780 735011221 /nfs/dbraw/zinc/01/12/21/735011221.db2.gz MYRWZCDKVKIDNR-GXSJLCMTSA-N -1 3 364.320 2.851 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000742281828 735218816 /nfs/dbraw/zinc/21/88/16/735218816.db2.gz RBQGRPGLVOYDQU-QMMMGPOBSA-N -1 3 363.233 2.682 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000742307198 735223828 /nfs/dbraw/zinc/22/38/28/735223828.db2.gz IMUWUVSRTPQASR-UHFFFAOYSA-N -1 3 363.233 2.824 20 5 FFBDHM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000917923670 737784108 /nfs/dbraw/zinc/78/41/08/737784108.db2.gz OIUHOFGMFBTEIR-LLVKDONJSA-N -1 3 370.814 2.994 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000808342337 741216365 /nfs/dbraw/zinc/21/63/65/741216365.db2.gz LGNDONIJGPPSOB-BONVTDFDSA-N -1 3 370.814 2.649 20 5 FFBDHM CC(C)n1ccc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000848584077 748966229 /nfs/dbraw/zinc/96/62/29/748966229.db2.gz NIWWSKAKXYKBHG-UHFFFAOYSA-N -1 3 354.313 2.660 20 5 FFBDHM O=C([N-][C@H](CCO)c1cccs1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584094 748966402 /nfs/dbraw/zinc/96/64/02/748966402.db2.gz NZTIIFYRKACQDV-GFCCVEGCSA-N -1 3 372.349 2.868 20 5 FFBDHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000851834458 749695163 /nfs/dbraw/zinc/69/51/63/749695163.db2.gz QUHNSKSUKGOSDO-LBPRGKRZSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1[N+](=O)[O-] ZINC000826269882 947780188 /nfs/dbraw/zinc/78/01/88/947780188.db2.gz ANXPRPJIXJWNFO-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1[N+](=O)[O-] ZINC000826269882 947780193 /nfs/dbraw/zinc/78/01/93/947780193.db2.gz ANXPRPJIXJWNFO-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM CCO[C@@H]1C[C@@](NCc2ccc([N+](=O)[O-])cc2Cl)(C(=O)[O-])C1(C)C ZINC001596837800 985498854 /nfs/dbraw/zinc/49/88/54/985498854.db2.gz KNGIADXWKIPGQQ-CZUORRHYSA-N -1 3 356.806 2.996 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)c(Cl)c1 ZINC001212219510 990103361 /nfs/dbraw/zinc/10/33/61/990103361.db2.gz KQMPWSZBYWJPPM-CQSZACIVSA-N -1 3 368.798 2.798 20 5 FFBDHM CN(C(=O)CCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001598013245 990191003 /nfs/dbraw/zinc/19/10/03/990191003.db2.gz ZPCSVOWFKWUOGZ-LJQANCHMSA-N -1 3 371.393 2.537 20 5 FFBDHM COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3occc3[n-]2)c([N+](=O)[O-])c1 ZINC000786029330 1001513458 /nfs/dbraw/zinc/51/34/58/1001513458.db2.gz MHBKMEYBQUOQIS-VIFPVBQESA-N -1 3 373.321 2.862 20 5 FFBDHM COC(=O)c1ccc(N2CCOCC2)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229297 1005180859 /nfs/dbraw/zinc/18/08/59/1005180859.db2.gz LASFIZFVCFSBDF-UHFFFAOYSA-N -1 3 373.365 2.667 20 5 FFBDHM CN(CC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000853269979 1006356432 /nfs/dbraw/zinc/35/64/32/1006356432.db2.gz DNVQABSVEYOFLA-UHFFFAOYSA-N -1 3 366.418 2.779 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001275489707 1012534009 /nfs/dbraw/zinc/53/40/09/1012534009.db2.gz DHNICMPKMORGQR-CHWSQXEVSA-N -1 3 368.328 2.656 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001275489707 1012534018 /nfs/dbraw/zinc/53/40/18/1012534018.db2.gz DHNICMPKMORGQR-CHWSQXEVSA-N -1 3 368.328 2.656 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC001116435886 1021215340 /nfs/dbraw/zinc/21/53/40/1021215340.db2.gz YOCBKWBXIQTHMW-UHFFFAOYSA-N -1 3 369.337 2.552 20 5 FFBDHM O=C(Nc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)c1cccnc1 ZINC001162398811 1028531005 /nfs/dbraw/zinc/53/10/05/1028531005.db2.gz OZZGLDBZUOLFNY-UHFFFAOYSA-N -1 3 365.349 2.955 20 5 FFBDHM CC(C)c1oncc1[N-]C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC001155104927 1028582550 /nfs/dbraw/zinc/58/25/50/1028582550.db2.gz XCCRWIWEVYCXSC-UHFFFAOYSA-N -1 3 372.337 2.612 20 5 FFBDHM O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCc1nc(C(F)(F)F)n[n-]1 ZINC001163119361 1028803896 /nfs/dbraw/zinc/80/38/96/1028803896.db2.gz CRYWTRHGOUVHNY-UHFFFAOYSA-N -1 3 372.694 2.967 20 5 FFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001164321206 1029242968 /nfs/dbraw/zinc/24/29/68/1029242968.db2.gz HHWQUDBUPCOGMK-SNVBAGLBSA-N -1 3 362.411 2.765 20 5 FFBDHM COC(=O)Cc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000781517504 1029251032 /nfs/dbraw/zinc/25/10/32/1029251032.db2.gz LFJCOKOUWHUEGE-UHFFFAOYSA-N -1 3 373.296 2.545 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)c(F)ccc3[N+](=O)[O-])nc21 ZINC001534442998 1069648708 /nfs/dbraw/zinc/64/87/08/1069648708.db2.gz SMSAGGUMCIGOOS-UHFFFAOYSA-N -1 3 372.312 2.958 20 5 FFBDHM CNc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cccc1[N+](=O)[O-] ZINC000784734246 1030782224 /nfs/dbraw/zinc/78/22/24/1030782224.db2.gz JWYMFIOSXJHMSK-UHFFFAOYSA-N -1 3 370.321 2.749 20 5 FFBDHM O=C(NCc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001149347566 1031492621 /nfs/dbraw/zinc/49/26/21/1031492621.db2.gz VLTTZTIRZHQSOS-UHFFFAOYSA-N -1 3 364.361 2.791 20 5 FFBDHM Cc1[n-]c(=O)cc(OC2CC(C(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228685437 1036255071 /nfs/dbraw/zinc/25/50/71/1036255071.db2.gz HSUVEOAEXHEIJV-UHFFFAOYSA-N -1 3 358.350 2.905 20 5 FFBDHM CCOC(=O)[C@H]1C[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c2ccccc2O1 ZINC001228689688 1036259461 /nfs/dbraw/zinc/25/94/61/1036259461.db2.gz WNHKNHYFVTYYPV-UKRRQHHQSA-N -1 3 374.349 2.838 20 5 FFBDHM Cc1nc(O[C@H]2CCN(Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377877 1036640422 /nfs/dbraw/zinc/64/04/22/1036640422.db2.gz GGMIMGQTXBRYGL-ZDUSSCGKSA-N -1 3 364.789 2.706 20 5 FFBDHM Cc1nc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(N2C[C@@H](C)O[C@H](C)C2)n1 ZINC001210394122 1039520234 /nfs/dbraw/zinc/52/02/34/1039520234.db2.gz OTHVLHHNONZBGK-GHMZBOCLSA-N -1 3 359.386 2.756 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCCC1 ZINC001210637614 1039646335 /nfs/dbraw/zinc/64/63/35/1039646335.db2.gz SRZDQCCRCVDHGD-UHFFFAOYSA-N -1 3 362.473 2.840 20 5 FFBDHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc([N+](=O)[O-])c1 ZINC001301758820 1050974093 /nfs/dbraw/zinc/97/40/93/1050974093.db2.gz ARBQULUGGJFXBX-LLVKDONJSA-N -1 3 356.382 2.778 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001309067970 1052548970 /nfs/dbraw/zinc/54/89/70/1052548970.db2.gz WCGDVNYZLDXYEW-IAQYHMDHSA-N -1 3 374.434 2.916 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)nc1 ZINC001309454023 1052622064 /nfs/dbraw/zinc/62/20/64/1052622064.db2.gz GJYVOYUITGNKOD-BXKDBHETSA-N -1 3 371.777 2.617 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2ccccc2SCCC(N)=O)n1 ZINC001358261986 1056222815 /nfs/dbraw/zinc/22/28/15/1056222815.db2.gz QCRZRYYEUZDQHZ-UHFFFAOYSA-N -1 3 360.395 2.518 20 5 FFBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC001443542450 1058216397 /nfs/dbraw/zinc/21/63/97/1058216397.db2.gz GAEMGVISFKFWDI-UHFFFAOYSA-N -1 3 355.379 2.872 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(Cl)nc3s2)n1 ZINC001520052714 1059353814 /nfs/dbraw/zinc/35/38/14/1059353814.db2.gz ZWHQIOYATRJANL-UHFFFAOYSA-N -1 3 352.763 2.722 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[n-]n1 ZINC001456327995 1060091370 /nfs/dbraw/zinc/09/13/70/1060091370.db2.gz DBMOSPKVLDRAEM-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[n-]1 ZINC001456327995 1060091387 /nfs/dbraw/zinc/09/13/87/1060091387.db2.gz DBMOSPKVLDRAEM-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM CC(C)Cn1ccnc1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584276 1060309532 /nfs/dbraw/zinc/30/95/32/1060309532.db2.gz SIEWWOHSPFARML-UHFFFAOYSA-N -1 3 368.340 2.735 20 5 FFBDHM COc1ccc(F)c(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC001475519805 1061123823 /nfs/dbraw/zinc/12/38/23/1061123823.db2.gz STDDRYJDEWBZHT-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])c1ccccn1 ZINC001463916227 1062331151 /nfs/dbraw/zinc/33/11/51/1062331151.db2.gz FVCPALILOABNGJ-CYBMUJFWSA-N -1 3 372.406 2.968 20 5 FFBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC001464669044 1062751475 /nfs/dbraw/zinc/75/14/75/1062751475.db2.gz FEGHJQNXZKGVOQ-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM C[C@H](Cc1cccc(F)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575187192 1078114311 /nfs/dbraw/zinc/11/43/11/1078114311.db2.gz AJRFSAXPZYUWCZ-LLVKDONJSA-N -1 3 356.361 2.981 20 5 FFBDHM C[C@H](Cc1cccc(F)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575187192 1078114314 /nfs/dbraw/zinc/11/43/14/1078114314.db2.gz AJRFSAXPZYUWCZ-LLVKDONJSA-N -1 3 356.361 2.981 20 5 FFBDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1OC ZINC001578174709 1078447401 /nfs/dbraw/zinc/44/74/01/1078447401.db2.gz PCDXCDMKXWIYSE-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1OC ZINC001578174709 1078447403 /nfs/dbraw/zinc/44/74/03/1078447403.db2.gz PCDXCDMKXWIYSE-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM CN(c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC(C)(C)C1 ZINC001579266033 1078606093 /nfs/dbraw/zinc/60/60/93/1078606093.db2.gz ALTCLKCGOLQEJT-UHFFFAOYSA-N -1 3 353.386 2.948 20 5 FFBDHM CN(c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC(C)(C)C1 ZINC001579266033 1078606095 /nfs/dbraw/zinc/60/60/95/1078606095.db2.gz ALTCLKCGOLQEJT-UHFFFAOYSA-N -1 3 353.386 2.948 20 5 FFBDHM CON(Cc1ccc(Cl)cc1)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001579848531 1078696978 /nfs/dbraw/zinc/69/69/78/1078696978.db2.gz YOYXNYQBWLROSL-UHFFFAOYSA-N -1 3 374.788 2.992 20 5 FFBDHM CON(Cc1ccc(Cl)cc1)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001579848531 1078696981 /nfs/dbraw/zinc/69/69/81/1078696981.db2.gz YOYXNYQBWLROSL-UHFFFAOYSA-N -1 3 374.788 2.992 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001582803549 1079108506 /nfs/dbraw/zinc/10/85/06/1079108506.db2.gz LPFDPQHYLMWYKH-ZIAGYGMSSA-N -1 3 365.397 2.851 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1NCC[C@@H]1C[C@H]1Cc1ccccc1 ZINC001582803549 1079108509 /nfs/dbraw/zinc/10/85/09/1079108509.db2.gz LPFDPQHYLMWYKH-ZIAGYGMSSA-N -1 3 365.397 2.851 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCOc2ccccc21 ZINC001582804703 1079109624 /nfs/dbraw/zinc/10/96/24/1079109624.db2.gz ZFXQMCSDLQOIDP-NSHDSACASA-N -1 3 352.354 2.753 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCOc2ccccc21 ZINC001582804703 1079109628 /nfs/dbraw/zinc/10/96/28/1079109628.db2.gz ZFXQMCSDLQOIDP-NSHDSACASA-N -1 3 352.354 2.753 20 5 FFBDHM COc1ccccc1-c1cc(C(=O)[N-]c2ncc([N+](=O)[O-])cc2OC)no1 ZINC001583231380 1079181898 /nfs/dbraw/zinc/18/18/98/1079181898.db2.gz PHLXJWPQRZQMGS-UHFFFAOYSA-N -1 3 370.321 2.914 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001583359011 1079197930 /nfs/dbraw/zinc/19/79/30/1079197930.db2.gz VXBLQPWLNBYUQV-MRVPVSSYSA-N -1 3 370.287 2.672 20 5 FFBDHM Nc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1[N+](=O)[O-] ZINC001556894562 1075785867 /nfs/dbraw/zinc/78/58/67/1075785867.db2.gz MJGWATWYFPEZQR-UHFFFAOYSA-N -1 3 360.276 2.549 20 5 FFBDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001588895128 1080244018 /nfs/dbraw/zinc/24/40/18/1080244018.db2.gz VZISXGYHWSUHKD-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001589921464 1080862164 /nfs/dbraw/zinc/86/21/64/1080862164.db2.gz KGJQSUGHINKETO-GFCCVEGCSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001589921464 1080862169 /nfs/dbraw/zinc/86/21/69/1080862169.db2.gz KGJQSUGHINKETO-GFCCVEGCSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC001589946342 1080888934 /nfs/dbraw/zinc/88/89/34/1080888934.db2.gz IWTJWQDEHQDPGT-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC001589946342 1080888936 /nfs/dbraw/zinc/88/89/36/1080888936.db2.gz IWTJWQDEHQDPGT-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589983717 1080921356 /nfs/dbraw/zinc/92/13/56/1080921356.db2.gz YSCKOEWWFHVLGQ-MRVPVSSYSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589983717 1080921363 /nfs/dbraw/zinc/92/13/63/1080921363.db2.gz YSCKOEWWFHVLGQ-MRVPVSSYSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001590008403 1080935676 /nfs/dbraw/zinc/93/56/76/1080935676.db2.gz DMMWAEFPAHAFPZ-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001590008403 1080935689 /nfs/dbraw/zinc/93/56/89/1080935689.db2.gz DMMWAEFPAHAFPZ-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC001590104939 1081016247 /nfs/dbraw/zinc/01/62/47/1081016247.db2.gz ZOAKGEVFHADFCK-INIZCTEOSA-N -1 3 365.397 2.753 20 5 FFBDHM CC1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC001590104939 1081016256 /nfs/dbraw/zinc/01/62/56/1081016256.db2.gz ZOAKGEVFHADFCK-INIZCTEOSA-N -1 3 365.397 2.753 20 5 FFBDHM CC1(C)CO[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590111740 1081021297 /nfs/dbraw/zinc/02/12/97/1081021297.db2.gz SZDHQKMNBNLWLF-LLVKDONJSA-N -1 3 369.385 2.550 20 5 FFBDHM CC1(C)CO[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590111740 1081021301 /nfs/dbraw/zinc/02/13/01/1081021301.db2.gz SZDHQKMNBNLWLF-LLVKDONJSA-N -1 3 369.385 2.550 20 5 FFBDHM CC1(C)SC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590116186 1081024731 /nfs/dbraw/zinc/02/47/31/1081024731.db2.gz DXXCDHHHPWXDPC-GFCCVEGCSA-N -1 3 357.399 2.629 20 5 FFBDHM CC1(C)SC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590116186 1081024737 /nfs/dbraw/zinc/02/47/37/1081024737.db2.gz DXXCDHHHPWXDPC-GFCCVEGCSA-N -1 3 357.399 2.629 20 5 FFBDHM C[C@@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001590134322 1081040854 /nfs/dbraw/zinc/04/08/54/1081040854.db2.gz VURVFZCQSVWXMW-MRXNPFEDSA-N -1 3 358.402 2.926 20 5 FFBDHM C[C@@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001590134322 1081040860 /nfs/dbraw/zinc/04/08/60/1081040860.db2.gz VURVFZCQSVWXMW-MRXNPFEDSA-N -1 3 358.402 2.926 20 5 FFBDHM Cc1nn(Cc2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)c1[N+](=O)[O-] ZINC000042136649 249386283 /nfs/dbraw/zinc/38/62/83/249386283.db2.gz APRGRNOYLRXOJD-UHFFFAOYSA-N -1 3 359.411 2.633 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163340825 251185533 /nfs/dbraw/zinc/18/55/33/251185533.db2.gz WOYLRBOMYGEICL-GDBMZVCRSA-N -1 3 362.407 2.793 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000268803135 251389044 /nfs/dbraw/zinc/38/90/44/251389044.db2.gz QUXORVMFMARJDD-LLVKDONJSA-N -1 3 370.818 2.636 20 5 FFBDHM O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000279198207 256392135 /nfs/dbraw/zinc/39/21/35/256392135.db2.gz KNQQZDOGTVHCNG-SDBXPKJASA-N -1 3 373.287 2.985 20 5 FFBDHM O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000279198207 256392136 /nfs/dbraw/zinc/39/21/36/256392136.db2.gz KNQQZDOGTVHCNG-SDBXPKJASA-N -1 3 373.287 2.985 20 5 FFBDHM CCCOc1cc([N-]C(=O)c2cn(C)nn2)c([N+](=O)[O-])cc1OCCC ZINC000289671188 257293069 /nfs/dbraw/zinc/29/30/69/257293069.db2.gz OZZNXDLHBGKHOQ-UHFFFAOYSA-N -1 3 363.374 2.553 20 5 FFBDHM Cc1ccc(CC(=O)[N-]OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000299513335 258001372 /nfs/dbraw/zinc/00/13/72/258001372.db2.gz CCUHTLARSHQZJZ-UHFFFAOYSA-N -1 3 358.350 2.560 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000330838833 258171744 /nfs/dbraw/zinc/17/17/44/258171744.db2.gz LRFQEDWLFMBBKB-CMPLNLGQSA-N -1 3 360.457 2.556 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000331126448 258177916 /nfs/dbraw/zinc/17/79/16/258177916.db2.gz OSLQTCDMFGBNKP-AWEZNQCLSA-N -1 3 356.444 2.695 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCCC2)c(Br)c1 ZINC000331341571 258182534 /nfs/dbraw/zinc/18/25/34/258182534.db2.gz NRNUKBHERBKFQK-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM CC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420699899 514247751 /nfs/dbraw/zinc/24/77/51/514247751.db2.gz CEXASQCZMWPYEP-QMMMGPOBSA-N -1 3 351.222 2.682 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000032406859 506250444 /nfs/dbraw/zinc/25/04/44/506250444.db2.gz QNOLESAYIGSLDF-UHFFFAOYSA-N -1 3 368.436 2.674 20 5 FFBDHM CC(=O)Nc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1C ZINC000053612697 506415918 /nfs/dbraw/zinc/41/59/18/506415918.db2.gz KGIBMPUZMMDPTR-UHFFFAOYSA-N -1 3 353.338 2.990 20 5 FFBDHM COc1ccc([N-]C(=O)c2nnn(-c3ccccc3)c2C)c([N+](=O)[O-])c1 ZINC000040179143 506479334 /nfs/dbraw/zinc/47/93/34/506479334.db2.gz LVBQNQCHXKAVFT-UHFFFAOYSA-N -1 3 353.338 2.745 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000023396594 507350191 /nfs/dbraw/zinc/35/01/91/507350191.db2.gz RBNCCCSBFYOFJE-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1ccc(-c2nc(Sc3ccc([N+](=O)[O-])cn3)n[n-]2)c(OC)c1 ZINC000069000500 507377809 /nfs/dbraw/zinc/37/78/09/507377809.db2.gz UNFURGWAPYTSRG-UHFFFAOYSA-N -1 3 359.367 2.943 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000026880545 507616385 /nfs/dbraw/zinc/61/63/85/507616385.db2.gz YAGUUAXEQZRRBP-JTQLQIEISA-N -1 3 356.425 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000029939760 507796947 /nfs/dbraw/zinc/79/69/47/507796947.db2.gz PAMJPLRSRFYZQL-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12 ZINC000078296555 507857376 /nfs/dbraw/zinc/85/73/76/507857376.db2.gz HOXNOHYEVVTVEJ-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c(F)c1 ZINC000108875211 507922441 /nfs/dbraw/zinc/92/24/41/507922441.db2.gz TXQBPFXNLVGEEA-LLVKDONJSA-N -1 3 366.370 2.579 20 5 FFBDHM O=C(COc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109624828 507972532 /nfs/dbraw/zinc/97/25/32/507972532.db2.gz OCYWELFZEIBISK-UHFFFAOYSA-N -1 3 357.301 2.537 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000101575133 508248514 /nfs/dbraw/zinc/24/85/14/508248514.db2.gz QNPFVRWGCQYLBZ-UHFFFAOYSA-N -1 3 357.391 2.930 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000104747057 508344746 /nfs/dbraw/zinc/34/47/46/508344746.db2.gz SLLNRLFSYOSXAE-GXTWGEPZSA-N -1 3 366.370 2.577 20 5 FFBDHM COc1cc(C(=O)[N-]c2ccncc2F)c([N+](=O)[O-])cc1OC(F)F ZINC000156477986 508426263 /nfs/dbraw/zinc/42/62/63/508426263.db2.gz WMASTOAUFRMPCT-UHFFFAOYSA-N -1 3 357.244 2.991 20 5 FFBDHM O=c1[n-]nc(SCc2ccc(Cl)cc2[N+](=O)[O-])n1C[C@@H]1CCCO1 ZINC000115964476 508458373 /nfs/dbraw/zinc/45/83/73/508458373.db2.gz ASFUVRZJFRBZKS-NSHDSACASA-N -1 3 370.818 2.604 20 5 FFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000116378474 508505188 /nfs/dbraw/zinc/50/51/88/508505188.db2.gz ZSKFPMOLCIGUPZ-UHFFFAOYSA-N -1 3 359.404 2.712 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@@H]1O ZINC000127861429 508512092 /nfs/dbraw/zinc/51/20/92/508512092.db2.gz UJZVWJFMOKDXFN-HIFRSBDPSA-N -1 3 356.444 2.513 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1cccc(F)c1 ZINC000122311911 508516366 /nfs/dbraw/zinc/51/63/66/508516366.db2.gz CJJLNRGVUNXCFP-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c1C ZINC000134646523 508554795 /nfs/dbraw/zinc/55/47/95/508554795.db2.gz KBXFMXZPMKQYCK-CQSZACIVSA-N -1 3 368.455 2.982 20 5 FFBDHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000117115467 508580026 /nfs/dbraw/zinc/58/00/26/508580026.db2.gz PRUSVKFPIIKSMZ-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000123232123 508656263 /nfs/dbraw/zinc/65/62/63/508656263.db2.gz RMMSCRWWOMRNEN-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000158659361 508735695 /nfs/dbraw/zinc/73/56/95/508735695.db2.gz BQVHBZYKENSQAC-NSHDSACASA-N -1 3 367.427 2.898 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000123881826 508752540 /nfs/dbraw/zinc/75/25/40/508752540.db2.gz CWUNUKKVKZFHSG-NSHDSACASA-N -1 3 368.436 2.809 20 5 FFBDHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000138487724 508774795 /nfs/dbraw/zinc/77/47/95/508774795.db2.gz SCWPMIKTKAEGKC-UHFFFAOYSA-N -1 3 366.399 2.919 20 5 FFBDHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000124530579 508847228 /nfs/dbraw/zinc/84/72/28/508847228.db2.gz AXMLTWOLMSCAAS-INIZCTEOSA-N -1 3 355.394 2.867 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1c(C)nn(C)c1C ZINC000124821517 508890065 /nfs/dbraw/zinc/89/00/65/508890065.db2.gz GOLYMKJADQAUAY-LLVKDONJSA-N -1 3 372.472 2.745 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000125681636 509016240 /nfs/dbraw/zinc/01/62/40/509016240.db2.gz JAORMMKKMNJRKL-DGCLKSJQSA-N -1 3 362.473 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)c1C ZINC000120623795 509033380 /nfs/dbraw/zinc/03/33/80/509033380.db2.gz SLIVJDRUVPOLHF-UHFFFAOYSA-N -1 3 353.400 2.802 20 5 FFBDHM O=C([N-]c1nc2ccccn2n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132804600 509077137 /nfs/dbraw/zinc/07/71/37/509077137.db2.gz YZQXIDDUYRWKLB-UHFFFAOYSA-N -1 3 362.143 2.652 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)c(F)c1 ZINC000121385620 509171067 /nfs/dbraw/zinc/17/10/67/509171067.db2.gz LNWQSRPXMVVLCT-OAHLLOKOSA-N -1 3 368.386 2.526 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000163415797 509374246 /nfs/dbraw/zinc/37/42/46/509374246.db2.gz SFFRVFDBCMOGHY-MRVPVSSYSA-N -1 3 370.374 2.788 20 5 FFBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185847476 509384468 /nfs/dbraw/zinc/38/44/68/509384468.db2.gz QNVWDRPWTSZJBU-ZDUSSCGKSA-N -1 3 353.425 2.789 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000186081499 509513451 /nfs/dbraw/zinc/51/34/51/509513451.db2.gz CEYVTHZVFMVJJW-UHFFFAOYSA-N -1 3 374.434 2.999 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c([N+](=O)[O-])c1 ZINC000165271179 509564869 /nfs/dbraw/zinc/56/48/69/509564869.db2.gz CNXCTKOKWVCMPC-UHFFFAOYSA-N -1 3 357.775 2.761 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1COc2ccccc21 ZINC000167508775 509632867 /nfs/dbraw/zinc/63/28/67/509632867.db2.gz CQHQGEIEYKXPFT-ZWNOBZJWSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C(C)(C)c2nccs2)c1[N+](=O)[O-] ZINC000189975418 509862517 /nfs/dbraw/zinc/86/25/17/509862517.db2.gz NTUPTKYXVANSQT-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000173979830 509888363 /nfs/dbraw/zinc/88/83/63/509888363.db2.gz GRVCMEDACNKMQF-UHFFFAOYSA-N -1 3 363.395 2.835 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000171042484 509905087 /nfs/dbraw/zinc/90/50/87/509905087.db2.gz YTYPUUYIPBDLCX-RDJZCZTQSA-N -1 3 362.407 2.793 20 5 FFBDHM COCc1nc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n[n-]1 ZINC000268500570 509972630 /nfs/dbraw/zinc/97/26/30/509972630.db2.gz SELGSJJKELVMOP-SSDOTTSWSA-N -1 3 371.806 2.632 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1C(C)C ZINC000175132609 510497324 /nfs/dbraw/zinc/49/73/24/510497324.db2.gz GVZFOBMVGMKIRE-UKRRQHHQSA-N -1 3 356.444 2.633 20 5 FFBDHM COc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1 ZINC000266605032 510683915 /nfs/dbraw/zinc/68/39/15/510683915.db2.gz WAJGEFZEOUBJRG-UHFFFAOYSA-N -1 3 372.377 2.993 20 5 FFBDHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000188392733 510744443 /nfs/dbraw/zinc/74/44/43/510744443.db2.gz FFVMTXOVKYNRSO-NSHDSACASA-N -1 3 350.824 2.588 20 5 FFBDHM O=C(Nc1cccc2c1OCC[C@H]2O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000185323262 510806888 /nfs/dbraw/zinc/80/68/88/510806888.db2.gz QLXRJYXYWQSBOZ-CQSZACIVSA-N -1 3 354.322 2.539 20 5 FFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000294007864 510927334 /nfs/dbraw/zinc/92/73/34/510927334.db2.gz DJKXYNVRYUROSE-ZDUSSCGKSA-N -1 3 354.366 2.715 20 5 FFBDHM Cc1cc(F)c([N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC000282387284 510956115 /nfs/dbraw/zinc/95/61/15/510956115.db2.gz JPIUSYWHGAYKLY-UHFFFAOYSA-N -1 3 363.349 2.501 20 5 FFBDHM CCOC(=O)c1c(C2CC2)csc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270975029 511043474 /nfs/dbraw/zinc/04/34/74/511043474.db2.gz IOHJXPOGGAUSSE-UHFFFAOYSA-N -1 3 364.383 2.696 20 5 FFBDHM CC(C)(C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000364916049 511152227 /nfs/dbraw/zinc/15/22/27/511152227.db2.gz LGANYHLNNKLTQY-UHFFFAOYSA-N -1 3 369.356 2.857 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000273692446 511575487 /nfs/dbraw/zinc/57/54/87/511575487.db2.gz MEBVIBQCPKNVRV-AWEZNQCLSA-N -1 3 368.411 2.693 20 5 FFBDHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365931556 511735264 /nfs/dbraw/zinc/73/52/64/511735264.db2.gz YKFNWCANZPGIOR-UHFFFAOYSA-N -1 3 370.409 2.853 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000311258730 511776914 /nfs/dbraw/zinc/77/69/14/511776914.db2.gz YTNYGSWEYRPIPS-CQSZACIVSA-N -1 3 356.382 2.765 20 5 FFBDHM Cn1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(-c2ccccn2)n1 ZINC000370200799 512817919 /nfs/dbraw/zinc/81/79/19/512817919.db2.gz CZBNBTVUJYJTGZ-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM C[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382601036 512877726 /nfs/dbraw/zinc/87/77/26/512877726.db2.gz RNYUAFVHYSZFDQ-CQSZACIVSA-N -1 3 370.409 2.789 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000435602006 513633188 /nfs/dbraw/zinc/63/31/88/513633188.db2.gz RZGIXWOFUFRUQT-HDJSIYSDSA-N -1 3 362.407 2.828 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000416421837 513765573 /nfs/dbraw/zinc/76/55/73/513765573.db2.gz GEAXREFQJXMJRE-SECBINFHSA-N -1 3 370.374 2.788 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])c1 ZINC000442783668 513780377 /nfs/dbraw/zinc/78/03/77/513780377.db2.gz RTSSRMZVOJQXHC-ZDUSSCGKSA-N -1 3 366.370 2.844 20 5 FFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000416486704 513798192 /nfs/dbraw/zinc/79/81/92/513798192.db2.gz GYFYVVWRNAOLHJ-JTQLQIEISA-N -1 3 370.349 2.707 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416504291 513805608 /nfs/dbraw/zinc/80/56/08/513805608.db2.gz ZTBMSWFGILMCNB-UHFFFAOYSA-N -1 3 354.762 2.962 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000416504983 513805980 /nfs/dbraw/zinc/80/59/80/513805980.db2.gz ZORQIGUJHIENAQ-ZDUSSCGKSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)ccc1[N+](=O)[O-] ZINC000451639457 513880104 /nfs/dbraw/zinc/88/01/04/513880104.db2.gz IBYOFQZKFACIOU-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([O-])c1C ZINC000436537319 513888668 /nfs/dbraw/zinc/88/86/68/513888668.db2.gz OYYXCEXGWALXCI-CYBMUJFWSA-N -1 3 356.382 2.639 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000451800956 513989738 /nfs/dbraw/zinc/98/97/38/513989738.db2.gz GFFRGWPYZFCNEW-AWEZNQCLSA-N -1 3 368.455 2.839 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ncccc2C)cc1C ZINC000451809368 513993173 /nfs/dbraw/zinc/99/31/73/513993173.db2.gz MUKXELAGQHYYPG-UHFFFAOYSA-N -1 3 363.439 2.826 20 5 FFBDHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451814468 513999247 /nfs/dbraw/zinc/99/92/47/513999247.db2.gz XITQELXBRAKALQ-UHFFFAOYSA-N -1 3 369.830 2.863 20 5 FFBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436874175 514016148 /nfs/dbraw/zinc/01/61/48/514016148.db2.gz ZSLKGOZDIRKQMP-QGZVFWFLSA-N -1 3 355.394 2.867 20 5 FFBDHM Cc1cc(C)n(C[C@@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000426742698 514029616 /nfs/dbraw/zinc/02/96/16/514029616.db2.gz QNIASUCYDIBZIK-MRXNPFEDSA-N -1 3 360.414 2.775 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436935927 514041825 /nfs/dbraw/zinc/04/18/25/514041825.db2.gz FARJLMJWYITNLU-SUMWQHHRSA-N -1 3 355.394 2.551 20 5 FFBDHM O=C(NCCNc1ccnc2c1cccc2[N+](=O)[O-])c1ccc([O-])cc1 ZINC000436944207 514043589 /nfs/dbraw/zinc/04/35/89/514043589.db2.gz ATOHTBOTNGURHS-UHFFFAOYSA-N -1 3 352.350 2.691 20 5 FFBDHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000414455391 514127812 /nfs/dbraw/zinc/12/78/12/514127812.db2.gz FRJWRTBXHFVMHZ-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)c1C ZINC000461790899 514740929 /nfs/dbraw/zinc/74/09/29/514740929.db2.gz KEROQUDKTYRKQX-OAHLLOKOSA-N -1 3 370.471 2.679 20 5 FFBDHM COc1cc(CNc2ccc(Cn3ccnc3)cn2)c([N+](=O)[O-])cc1[O-] ZINC000508469257 514788965 /nfs/dbraw/zinc/78/89/65/514788965.db2.gz XLTOMZZJVAQXCB-UHFFFAOYSA-N -1 3 355.354 2.561 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(C)o1 ZINC000479994368 514802548 /nfs/dbraw/zinc/80/25/48/514802548.db2.gz KCMSQJJGACSNNY-ZDUSSCGKSA-N -1 3 368.411 2.861 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000480735424 515062587 /nfs/dbraw/zinc/06/25/87/515062587.db2.gz FOXVFVBJJGGUQU-HOCLYGCPSA-N -1 3 370.471 2.941 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(F)cc2Br)n1 ZINC000503663179 515109965 /nfs/dbraw/zinc/10/99/65/515109965.db2.gz MUKOUJNTRCOBLR-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c1C ZINC000498908123 515111874 /nfs/dbraw/zinc/11/18/74/515111874.db2.gz ATJDATJSGUENAL-AWEZNQCLSA-N -1 3 360.391 2.818 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000462619730 515156314 /nfs/dbraw/zinc/15/63/14/515156314.db2.gz QLOKGEIAGIIPLY-ZDUSSCGKSA-N -1 3 370.406 2.514 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)c1[N+](=O)[O-] ZINC000481027443 515177761 /nfs/dbraw/zinc/17/77/61/515177761.db2.gz VMBXKYVOCJQLRA-UHFFFAOYSA-N -1 3 369.487 2.754 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCCC2 ZINC000462681829 515186876 /nfs/dbraw/zinc/18/68/76/515186876.db2.gz RHGLRZOTESJROK-CABCVRRESA-N -1 3 368.455 2.919 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000490511113 515233491 /nfs/dbraw/zinc/23/34/91/515233491.db2.gz AVFMSNSEAAVUAN-UHFFFAOYSA-N -1 3 367.427 2.939 20 5 FFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000481349950 515300038 /nfs/dbraw/zinc/30/00/38/515300038.db2.gz PIWBVWBTDIWJSI-AAEUAGOBSA-N -1 3 360.457 2.556 20 5 FFBDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000510551023 515582441 /nfs/dbraw/zinc/58/24/41/515582441.db2.gz HMOCUYIBZPVGGK-XCBNKYQSSA-N -1 3 370.374 2.643 20 5 FFBDHM CCOc1nc2cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])ccc2[n-]1 ZINC000468994077 515617581 /nfs/dbraw/zinc/61/75/81/515617581.db2.gz QWHZNXGISQXIAV-UHFFFAOYSA-N -1 3 369.381 2.712 20 5 FFBDHM CCOc1nc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2[n-]1 ZINC000468994077 515617587 /nfs/dbraw/zinc/61/75/87/515617587.db2.gz QWHZNXGISQXIAV-UHFFFAOYSA-N -1 3 369.381 2.712 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccco1 ZINC000493895679 515678256 /nfs/dbraw/zinc/67/82/56/515678256.db2.gz ZGSPZKCRNUUTMC-CYBMUJFWSA-N -1 3 368.411 2.861 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCc2sccc2C)cc1[N+](=O)[O-] ZINC000493896766 515680073 /nfs/dbraw/zinc/68/00/73/515680073.db2.gz JDDOIYXSHSJIEV-UHFFFAOYSA-N -1 3 374.415 2.633 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000478132059 515712527 /nfs/dbraw/zinc/71/25/27/515712527.db2.gz JVRPJXCFTWHYMO-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000469267575 515746947 /nfs/dbraw/zinc/74/69/47/515746947.db2.gz YNAPMZKKLOZFJJ-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc2n[nH]cc2c1 ZINC000511053664 515759589 /nfs/dbraw/zinc/75/95/89/515759589.db2.gz WMTLKMKZIHSTSU-QMMMGPOBSA-N -1 3 352.397 2.572 20 5 FFBDHM CC(C)(C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000494356836 515818559 /nfs/dbraw/zinc/81/85/59/515818559.db2.gz MROQRYHLQBBMEN-UHFFFAOYSA-N -1 3 351.366 2.718 20 5 FFBDHM CN(C)Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1Cl ZINC000500757538 515846240 /nfs/dbraw/zinc/84/62/40/515846240.db2.gz IOJNRRYWLZPTQT-UHFFFAOYSA-N -1 3 350.762 2.663 20 5 FFBDHM Cc1ccn2ncc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c2c1 ZINC000501033967 515944364 /nfs/dbraw/zinc/94/43/64/515944364.db2.gz JFCBUXXPJNQCRQ-UHFFFAOYSA-N -1 3 362.349 2.615 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)c(F)cc1F ZINC000483185069 515972186 /nfs/dbraw/zinc/97/21/86/515972186.db2.gz QLHKQXMELCODBX-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000535653900 516436964 /nfs/dbraw/zinc/43/69/64/516436964.db2.gz DGLZWINVHBSQCP-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000513808415 516763435 /nfs/dbraw/zinc/76/34/35/516763435.db2.gz SJVOMWNQQYGRHM-UHFFFAOYSA-N -1 3 370.770 2.610 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000536792975 516935773 /nfs/dbraw/zinc/93/57/73/516935773.db2.gz VHCYYFXUXDTTHE-UHFFFAOYSA-N -1 3 363.326 2.583 20 5 FFBDHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000515581332 517411726 /nfs/dbraw/zinc/41/17/26/517411726.db2.gz LSKQOHFLSUAQKQ-AWEZNQCLSA-N -1 3 359.338 2.506 20 5 FFBDHM CCOC(=O)c1cc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)c(F)cc1C ZINC000556481802 517453024 /nfs/dbraw/zinc/45/30/24/517453024.db2.gz KZSFUTCZVJNJSN-UHFFFAOYSA-N -1 3 364.333 2.513 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546074001 517528266 /nfs/dbraw/zinc/52/82/66/517528266.db2.gz GLNBJDFJFKSWJN-HNNXBMFYSA-N -1 3 362.407 2.765 20 5 FFBDHM COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000549687651 517659928 /nfs/dbraw/zinc/65/99/28/517659928.db2.gz MZFNUKKVICMABQ-DYVFJYSZSA-N -1 3 358.394 2.810 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c([O-])c1 ZINC000534091903 517737105 /nfs/dbraw/zinc/73/71/05/517737105.db2.gz WOVLXKFEMMUZMM-UHFFFAOYSA-N -1 3 360.322 2.738 20 5 FFBDHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000546877530 517900518 /nfs/dbraw/zinc/90/05/18/517900518.db2.gz LTTHWQBZOKXLJO-CYBMUJFWSA-N -1 3 366.782 2.854 20 5 FFBDHM COc1ccc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000516933123 517924210 /nfs/dbraw/zinc/92/42/10/517924210.db2.gz RFIHKQWVDLLLDI-HZPDHXFCSA-N -1 3 356.378 2.904 20 5 FFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000535361794 518176538 /nfs/dbraw/zinc/17/65/38/518176538.db2.gz IRPJTNKZLRONFD-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000567396195 518503202 /nfs/dbraw/zinc/50/32/02/518503202.db2.gz WEHNHTBIRVGPRK-SFHVURJKSA-N -1 3 355.394 2.851 20 5 FFBDHM O=C([O-])[C@@H](CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000582306279 518690013 /nfs/dbraw/zinc/69/00/13/518690013.db2.gz ISPXYGWFJHFVIE-KRWDZBQOSA-N -1 3 369.421 2.975 20 5 FFBDHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000571227661 518989675 /nfs/dbraw/zinc/98/96/75/518989675.db2.gz AHTJPAAJNBWVFZ-UHFFFAOYSA-N -1 3 351.362 2.751 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC000571288314 519022328 /nfs/dbraw/zinc/02/23/28/519022328.db2.gz XKDRCOBVLYWPKX-MRXNPFEDSA-N -1 3 356.382 2.937 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)cc1C ZINC000583226021 519138684 /nfs/dbraw/zinc/13/86/84/519138684.db2.gz LHPRKMCNCNISIH-CYBMUJFWSA-N -1 3 362.407 2.666 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCCc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000590589441 519278147 /nfs/dbraw/zinc/27/81/47/519278147.db2.gz HQYYFKUZPNUZNW-UHFFFAOYSA-N -1 3 352.387 2.953 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594472822 519983303 /nfs/dbraw/zinc/98/33/03/519983303.db2.gz GIGLGLTYKDWIAC-GJZGRUSLSA-N -1 3 368.455 2.838 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594486854 519996999 /nfs/dbraw/zinc/99/69/99/519996999.db2.gz JTLRIQKMUSWTPO-ZFWWWQNUSA-N -1 3 356.444 2.838 20 5 FFBDHM COc1cc(CN[C@@H]2CCOc3c(OC)cccc32)c([N+](=O)[O-])cc1[O-] ZINC000594524494 520014517 /nfs/dbraw/zinc/01/45/17/520014517.db2.gz ZBZCMYRQXLCCFJ-CYBMUJFWSA-N -1 3 360.366 2.931 20 5 FFBDHM CCN(C(C)=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cn1 ZINC000594743629 520128540 /nfs/dbraw/zinc/12/85/40/520128540.db2.gz TYLXCLYHUSOARY-UHFFFAOYSA-N -1 3 360.370 2.689 20 5 FFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758718 520139335 /nfs/dbraw/zinc/13/93/35/520139335.db2.gz LQFIFGRNCFMLFS-NSHDSACASA-N -1 3 367.427 2.625 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccccc2C)CC1 ZINC000592067076 520163270 /nfs/dbraw/zinc/16/32/70/520163270.db2.gz LLEFSDQNKYNMGF-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c(C(F)(F)F)c1 ZINC000594805873 520166132 /nfs/dbraw/zinc/16/61/32/520166132.db2.gz WDKWAZAJFQCDEQ-PRHODGIISA-N -1 3 350.318 2.835 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c(C(F)(F)F)c1 ZINC000594805875 520166270 /nfs/dbraw/zinc/16/62/70/520166270.db2.gz WDKWAZAJFQCDEQ-UFBFGSQYSA-N -1 3 350.318 2.835 20 5 FFBDHM CN1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000597710153 520189797 /nfs/dbraw/zinc/18/97/97/520189797.db2.gz ILNZIWHCPIYQQU-INIZCTEOSA-N -1 3 353.806 2.512 20 5 FFBDHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000592112819 520191749 /nfs/dbraw/zinc/19/17/49/520191749.db2.gz MDHGWEAUJPHOHT-GMSGAONNSA-N -1 3 370.374 2.786 20 5 FFBDHM C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccnc1 ZINC000609680041 520404311 /nfs/dbraw/zinc/40/43/11/520404311.db2.gz OHHBPUBAJSZMRM-GFCCVEGCSA-N -1 3 351.366 2.934 20 5 FFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1(F)F ZINC000595350759 520422086 /nfs/dbraw/zinc/42/20/86/520422086.db2.gz HVJWEAZGAVQDRF-GFCCVEGCSA-N -1 3 371.365 2.713 20 5 FFBDHM CCN1CCc2nc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])sc2C1 ZINC000600966008 520561787 /nfs/dbraw/zinc/56/17/87/520561787.db2.gz FAXWNRONJFVIRH-UHFFFAOYSA-N -1 3 350.375 2.821 20 5 FFBDHM CNc1ccc(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cc1[N+](=O)[O-] ZINC000604497195 520578864 /nfs/dbraw/zinc/57/88/64/520578864.db2.gz SGXCIYTYFOLULT-UHFFFAOYSA-N -1 3 367.365 2.709 20 5 FFBDHM O=c1[n-]ccc(N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c1[N+](=O)[O-] ZINC000596133726 520930910 /nfs/dbraw/zinc/93/09/10/520930910.db2.gz ZDZOSORHNZJQKC-SNVBAGLBSA-N -1 3 366.324 2.988 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)nc1 ZINC000593541550 521063192 /nfs/dbraw/zinc/06/31/92/521063192.db2.gz MHYGTMYGBQJIMN-UHFFFAOYSA-N -1 3 365.436 2.593 20 5 FFBDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CCCC2)n1 ZINC000593543464 521064042 /nfs/dbraw/zinc/06/40/42/521064042.db2.gz BAIIQBSPFQMXSZ-UHFFFAOYSA-N -1 3 368.440 2.503 20 5 FFBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000599367112 521178408 /nfs/dbraw/zinc/17/84/08/521178408.db2.gz AEPBFJRNIKUYCZ-LLVKDONJSA-N -1 3 350.824 2.732 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000599390054 521193294 /nfs/dbraw/zinc/19/32/94/521193294.db2.gz HPQXBHYKBVAOFM-ZDUSSCGKSA-N -1 3 373.500 2.650 20 5 FFBDHM O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534737 521206953 /nfs/dbraw/zinc/20/69/53/521206953.db2.gz GQISATKDSNICRY-INIZCTEOSA-N -1 3 369.421 2.942 20 5 FFBDHM O=[N+]([O-])c1ccc(Nc2ccc(O[C@@H]3CCOC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738368959 598857200 /nfs/dbraw/zinc/85/72/00/598857200.db2.gz GOIJJPIUPIBNRJ-CQSZACIVSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1ccc(Nc2ccc(O[C@@H]3CCOC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738368959 598857201 /nfs/dbraw/zinc/85/72/01/598857201.db2.gz GOIJJPIUPIBNRJ-CQSZACIVSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1ccccc1Cl ZINC000738357984 598974100 /nfs/dbraw/zinc/97/41/00/598974100.db2.gz JKJCVXQALBDBOC-CQSZACIVSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)c1ccccc1Cl ZINC000738357984 598974103 /nfs/dbraw/zinc/97/41/03/598974103.db2.gz JKJCVXQALBDBOC-CQSZACIVSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738371641 598974217 /nfs/dbraw/zinc/97/42/17/598974217.db2.gz VSSSKKFENKJEHZ-AWEZNQCLSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738371641 598974219 /nfs/dbraw/zinc/97/42/19/598974219.db2.gz VSSSKKFENKJEHZ-AWEZNQCLSA-N -1 3 360.761 2.574 20 5 FFBDHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736232463 599060658 /nfs/dbraw/zinc/06/06/58/599060658.db2.gz DLDWWEOYEDYHMC-YPMHNXCESA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736232463 599060660 /nfs/dbraw/zinc/06/06/60/599060660.db2.gz DLDWWEOYEDYHMC-YPMHNXCESA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H](COCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820287027 599079986 /nfs/dbraw/zinc/07/99/86/599079986.db2.gz JCELSXJVPYVEKR-LBPRGKRZSA-N -1 3 354.370 2.792 20 5 FFBDHM C[C@@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820287027 599079988 /nfs/dbraw/zinc/07/99/88/599079988.db2.gz JCELSXJVPYVEKR-LBPRGKRZSA-N -1 3 354.370 2.792 20 5 FFBDHM CC[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820994281 599101906 /nfs/dbraw/zinc/10/19/06/599101906.db2.gz GHCJHLBMJPOQJT-NSHDSACASA-N -1 3 371.426 2.655 20 5 FFBDHM CC[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820994281 599101907 /nfs/dbraw/zinc/10/19/07/599101907.db2.gz GHCJHLBMJPOQJT-NSHDSACASA-N -1 3 371.426 2.655 20 5 FFBDHM COc1ccc(OCCSc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000737110967 599164163 /nfs/dbraw/zinc/16/41/63/599164163.db2.gz FWOGIHMJALOVFH-UHFFFAOYSA-N -1 3 373.394 2.955 20 5 FFBDHM COc1ccc(OCCSc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000737110967 599164164 /nfs/dbraw/zinc/16/41/64/599164164.db2.gz FWOGIHMJALOVFH-UHFFFAOYSA-N -1 3 373.394 2.955 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737262281 599301963 /nfs/dbraw/zinc/30/19/63/599301963.db2.gz DGTBTZIRBVYPNK-UHFFFAOYSA-N -1 3 359.729 2.956 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737262281 599301966 /nfs/dbraw/zinc/30/19/66/599301966.db2.gz DGTBTZIRBVYPNK-UHFFFAOYSA-N -1 3 359.729 2.956 20 5 FFBDHM Cc1c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822067532 607268817 /nfs/dbraw/zinc/26/88/17/607268817.db2.gz KPFXGAMYMBSVHR-JXMROGBWSA-N -1 3 350.338 2.735 20 5 FFBDHM Cc1c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822067532 607268818 /nfs/dbraw/zinc/26/88/18/607268818.db2.gz KPFXGAMYMBSVHR-JXMROGBWSA-N -1 3 350.338 2.735 20 5 FFBDHM C[C@@H]1C[C@@H](C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736229776 599252821 /nfs/dbraw/zinc/25/28/21/599252821.db2.gz RUZNHGLVRNKHBP-GHMZBOCLSA-N -1 3 353.386 2.805 20 5 FFBDHM C[C@@H]1C[C@@H](C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736229776 599252823 /nfs/dbraw/zinc/25/28/23/599252823.db2.gz RUZNHGLVRNKHBP-GHMZBOCLSA-N -1 3 353.386 2.805 20 5 FFBDHM Cc1c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822107864 607321877 /nfs/dbraw/zinc/32/18/77/607321877.db2.gz FRXMBNGFSQKSSW-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822107864 607321878 /nfs/dbraw/zinc/32/18/78/607321878.db2.gz FRXMBNGFSQKSSW-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCOc2ccccc21 ZINC000738357958 598538198 /nfs/dbraw/zinc/53/81/98/598538198.db2.gz JJCVZSROGHGGGS-GFCCVEGCSA-N -1 3 352.354 2.753 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCOc2ccccc21 ZINC000738357958 598538199 /nfs/dbraw/zinc/53/81/99/598538199.db2.gz JJCVZSROGHGGGS-GFCCVEGCSA-N -1 3 352.354 2.753 20 5 FFBDHM CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506024 599312115 /nfs/dbraw/zinc/31/21/15/599312115.db2.gz ONWYJGWIVHZBHY-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506024 599312117 /nfs/dbraw/zinc/31/21/17/599312117.db2.gz ONWYJGWIVHZBHY-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM Cc1ccc(CCCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000822235939 599316921 /nfs/dbraw/zinc/31/69/21/599316921.db2.gz CJGHTDPPLURUMQ-UHFFFAOYSA-N -1 3 353.386 2.831 20 5 FFBDHM Cc1ccc(CCCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)c1 ZINC000822235939 599316923 /nfs/dbraw/zinc/31/69/23/599316923.db2.gz CJGHTDPPLURUMQ-UHFFFAOYSA-N -1 3 353.386 2.831 20 5 FFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738229895 599343342 /nfs/dbraw/zinc/34/33/42/599343342.db2.gz BHAVTINTZAEMFQ-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738229895 599343344 /nfs/dbraw/zinc/34/33/44/599343344.db2.gz BHAVTINTZAEMFQ-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM Cc1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822303856 599486251 /nfs/dbraw/zinc/48/62/51/599486251.db2.gz MJARHRBKRWISAA-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822303856 599486252 /nfs/dbraw/zinc/48/62/52/599486252.db2.gz MJARHRBKRWISAA-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822271246 599527587 /nfs/dbraw/zinc/52/75/87/599527587.db2.gz SRZVDCVOSYQDFU-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822271246 599527590 /nfs/dbraw/zinc/52/75/90/599527590.db2.gz SRZVDCVOSYQDFU-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM CSCC[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962663 599564118 /nfs/dbraw/zinc/56/41/18/599564118.db2.gz VINPFUVGLKUYKE-SECBINFHSA-N -1 3 359.415 2.877 20 5 FFBDHM CSCC[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962663 599564119 /nfs/dbraw/zinc/56/41/19/599564119.db2.gz VINPFUVGLKUYKE-SECBINFHSA-N -1 3 359.415 2.877 20 5 FFBDHM Cc1c(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cccc1[N+](=O)[O-] ZINC000826234003 607425745 /nfs/dbraw/zinc/42/57/45/607425745.db2.gz DBHVFWNRHIHFCY-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1c(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cccc1[N+](=O)[O-] ZINC000826234003 607425746 /nfs/dbraw/zinc/42/57/46/607425746.db2.gz DBHVFWNRHIHFCY-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1c(CC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236404 607698338 /nfs/dbraw/zinc/69/83/38/607698338.db2.gz KOAKSHUOFLCNOF-LBPRGKRZSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1c(CC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236404 607698340 /nfs/dbraw/zinc/69/83/40/607698340.db2.gz KOAKSHUOFLCNOF-LBPRGKRZSA-N -1 3 366.381 2.503 20 5 FFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000833420695 604929073 /nfs/dbraw/zinc/92/90/73/604929073.db2.gz YQKYXLMYUVFWDC-CYBMUJFWSA-N -1 3 374.397 2.968 20 5 FFBDHM CO[C@@H](C)c1nc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cs1 ZINC000821675356 606593805 /nfs/dbraw/zinc/59/38/05/606593805.db2.gz JHWSNNBQGRNYFM-QMMMGPOBSA-N -1 3 361.387 2.551 20 5 FFBDHM CO[C@@H](C)c1nc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cs1 ZINC000821675356 606593807 /nfs/dbraw/zinc/59/38/07/606593807.db2.gz JHWSNNBQGRNYFM-QMMMGPOBSA-N -1 3 361.387 2.551 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823651800 606595811 /nfs/dbraw/zinc/59/58/11/606595811.db2.gz RBFSRBAXNDVRFT-DTWKUNHWSA-N -1 3 371.323 2.951 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823651800 606595812 /nfs/dbraw/zinc/59/58/12/606595812.db2.gz RBFSRBAXNDVRFT-DTWKUNHWSA-N -1 3 371.323 2.951 20 5 FFBDHM Cc1ccc([C@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822230239 606622970 /nfs/dbraw/zinc/62/29/70/606622970.db2.gz ABMXDGSEJVQQHR-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1ccc([C@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822230239 606622972 /nfs/dbraw/zinc/62/29/72/606622972.db2.gz ABMXDGSEJVQQHR-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823336922 606632198 /nfs/dbraw/zinc/63/21/98/606632198.db2.gz CNYNHVOTTBKMAV-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823336922 606632200 /nfs/dbraw/zinc/63/22/00/606632200.db2.gz CNYNHVOTTBKMAV-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM Cn1cc([C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(C)(C)C)cn1 ZINC000822669094 606643695 /nfs/dbraw/zinc/64/36/95/606643695.db2.gz GDUOMVCOWMCFJT-AWEZNQCLSA-N -1 3 356.390 2.708 20 5 FFBDHM Cn1cc([C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(C)(C)C)cn1 ZINC000822669094 606643696 /nfs/dbraw/zinc/64/36/96/606643696.db2.gz GDUOMVCOWMCFJT-AWEZNQCLSA-N -1 3 356.390 2.708 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822271092 606660915 /nfs/dbraw/zinc/66/09/15/606660915.db2.gz MAWVXYUURXDDQY-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822271092 606660916 /nfs/dbraw/zinc/66/09/16/606660916.db2.gz MAWVXYUURXDDQY-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000822215952 606675400 /nfs/dbraw/zinc/67/54/00/606675400.db2.gz ADVZVBOKWKPDIZ-UHFFFAOYSA-N -1 3 352.354 2.655 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000822215952 606675401 /nfs/dbraw/zinc/67/54/01/606675401.db2.gz ADVZVBOKWKPDIZ-UHFFFAOYSA-N -1 3 352.354 2.655 20 5 FFBDHM C[C@@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820513206 606867143 /nfs/dbraw/zinc/86/71/43/606867143.db2.gz XMSPBIODESEOAE-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820513206 606867146 /nfs/dbraw/zinc/86/71/46/606867146.db2.gz XMSPBIODESEOAE-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM CN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000821570602 607015308 /nfs/dbraw/zinc/01/53/08/607015308.db2.gz CJWICPPFKZBJOF-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM CN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000821570602 607015310 /nfs/dbraw/zinc/01/53/10/607015310.db2.gz CJWICPPFKZBJOF-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM O=C(c1cc(-c2nnn[n-]2)cs1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823467599 607193758 /nfs/dbraw/zinc/19/37/58/607193758.db2.gz YHMGEZQHSSUGSM-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM O=C(c1cc(-c2nn[n-]n2)cs1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823467599 607193759 /nfs/dbraw/zinc/19/37/59/607193759.db2.gz YHMGEZQHSSUGSM-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc([S@](C)=O)cc1 ZINC000824655407 607902683 /nfs/dbraw/zinc/90/26/83/607902683.db2.gz CLXNYEAJRMZTJZ-ZHZWEUQESA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc([S@](C)=O)cc1 ZINC000824655407 607902684 /nfs/dbraw/zinc/90/26/84/607902684.db2.gz CLXNYEAJRMZTJZ-ZHZWEUQESA-N -1 3 372.410 2.685 20 5 FFBDHM Cc1cc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826269480 608052060 /nfs/dbraw/zinc/05/20/60/608052060.db2.gz NMNXVEMJTDOMKR-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1cc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826269480 608052061 /nfs/dbraw/zinc/05/20/61/608052061.db2.gz NMNXVEMJTDOMKR-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000826184664 608152396 /nfs/dbraw/zinc/15/23/96/608152396.db2.gz GOCLNWPQJVYNAI-UHFFFAOYSA-N -1 3 350.338 2.787 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1Cn1ccc2c1cccc2[N+](=O)[O-] ZINC000826184664 608152398 /nfs/dbraw/zinc/15/23/98/608152398.db2.gz GOCLNWPQJVYNAI-UHFFFAOYSA-N -1 3 350.338 2.787 20 5 FFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000825675151 608156614 /nfs/dbraw/zinc/15/66/14/608156614.db2.gz XWLRMIQQUWPANR-UHFFFAOYSA-N -1 3 371.382 2.534 20 5 FFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000825675151 608156616 /nfs/dbraw/zinc/15/66/16/608156616.db2.gz XWLRMIQQUWPANR-UHFFFAOYSA-N -1 3 371.382 2.534 20 5 FFBDHM CS[C@@H](C)CCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826225698 608342454 /nfs/dbraw/zinc/34/24/54/608342454.db2.gz IOFFPXDBLBYMQU-ZETCQYMHSA-N -1 3 370.822 2.899 20 5 FFBDHM CS[C@@H](C)CCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826225698 608342455 /nfs/dbraw/zinc/34/24/55/608342455.db2.gz IOFFPXDBLBYMQU-ZETCQYMHSA-N -1 3 370.822 2.899 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826500651 608866447 /nfs/dbraw/zinc/86/64/47/608866447.db2.gz GRYXLXXVYOKBRF-UHFFFAOYSA-N -1 3 362.353 2.777 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826500651 608866449 /nfs/dbraw/zinc/86/64/49/608866449.db2.gz GRYXLXXVYOKBRF-UHFFFAOYSA-N -1 3 362.353 2.777 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1COc2cc(F)cc(F)c21 ZINC000826497477 609606694 /nfs/dbraw/zinc/60/66/94/609606694.db2.gz ITXONEWJOLISSC-NSHDSACASA-N -1 3 360.280 2.599 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1COc2cc(F)cc(F)c21 ZINC000826497477 609606696 /nfs/dbraw/zinc/60/66/96/609606696.db2.gz ITXONEWJOLISSC-NSHDSACASA-N -1 3 360.280 2.599 20 5 FFBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000159431426 728907012 /nfs/dbraw/zinc/90/70/12/728907012.db2.gz NWWSPXSVGIWJIW-AWEZNQCLSA-N -1 3 370.814 2.569 20 5 FFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000170664324 728985629 /nfs/dbraw/zinc/98/56/29/728985629.db2.gz LCPKORGECFRHRD-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM O=C([N-]OCCC(F)(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC000860995957 730565585 /nfs/dbraw/zinc/56/55/85/730565585.db2.gz SBFYRXUGVKAHQN-UHFFFAOYSA-N -1 3 357.082 2.971 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000882757488 733287827 /nfs/dbraw/zinc/28/78/27/733287827.db2.gz HYNLXQODWSWOJQ-MFKMUULPSA-N -1 3 362.835 2.732 20 5 FFBDHM CCCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1=O ZINC000920245537 737896877 /nfs/dbraw/zinc/89/68/77/737896877.db2.gz PWRWZHXMBXCIQE-UHFFFAOYSA-N -1 3 371.802 2.621 20 5 FFBDHM COCc1ccccc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800051772 740478782 /nfs/dbraw/zinc/47/87/82/740478782.db2.gz RYUZDJOGOBPBEG-UHFFFAOYSA-N -1 3 354.359 2.990 20 5 FFBDHM CC[C@H](C)C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000843617869 747867040 /nfs/dbraw/zinc/86/70/40/747867040.db2.gz GXYBJKVAHBTAOQ-GWCFXTLKSA-N -1 3 358.341 2.781 20 5 FFBDHM CC(C)(C)OC(=O)NCC[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)F ZINC000853655872 750128319 /nfs/dbraw/zinc/12/83/19/750128319.db2.gz PMQMKGALAMKUQV-VIFPVBQESA-N -1 3 362.333 2.656 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(Cc3ccccc3)CCC2)c(-c2nnn[n-]2)c1 ZINC000823652012 946462889 /nfs/dbraw/zinc/46/28/89/946462889.db2.gz VWBCZNUOQIDJFU-UHFFFAOYSA-N -1 3 365.397 2.995 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(Cc3ccccc3)CCC2)c(-c2nn[n-]n2)c1 ZINC000823652012 946462899 /nfs/dbraw/zinc/46/28/99/946462899.db2.gz VWBCZNUOQIDJFU-UHFFFAOYSA-N -1 3 365.397 2.995 20 5 FFBDHM CC(=CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823943704 946525662 /nfs/dbraw/zinc/52/56/62/946525662.db2.gz REVZDFHXHJNMGD-ZHACJKMWSA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823943704 946525671 /nfs/dbraw/zinc/52/56/71/946525671.db2.gz REVZDFHXHJNMGD-ZHACJKMWSA-N -1 3 350.338 2.817 20 5 FFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001575516581 949211812 /nfs/dbraw/zinc/21/18/12/949211812.db2.gz PYUJVGFTLWZITL-SECBINFHSA-N -1 3 371.426 2.538 20 5 FFBDHM CN1CCN(Cc2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC001176676738 1013750339 /nfs/dbraw/zinc/75/03/39/1013750339.db2.gz INYJPTHRDDXUIP-UHFFFAOYSA-N -1 3 370.409 2.784 20 5 FFBDHM C[C@@](CO)(Cc1ccc(F)cc1)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592734155 979259244 /nfs/dbraw/zinc/25/92/44/979259244.db2.gz RQLKEZXGRCCYPR-SFHVURJKSA-N -1 3 362.357 2.515 20 5 FFBDHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000913295060 984234492 /nfs/dbraw/zinc/23/44/92/984234492.db2.gz AAFZEVHWJJQKHD-JTQLQIEISA-N -1 3 370.321 2.762 20 5 FFBDHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000913295060 984234497 /nfs/dbraw/zinc/23/44/97/984234497.db2.gz AAFZEVHWJJQKHD-JTQLQIEISA-N -1 3 370.321 2.762 20 5 FFBDHM CCO[C@@H]1C[C@@](NCc2cc(Cl)ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596838865 985511940 /nfs/dbraw/zinc/51/19/40/985511940.db2.gz PLXPPEQIJGCQFD-CZUORRHYSA-N -1 3 356.806 2.996 20 5 FFBDHM COc1cccc2c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)n[n-]c21 ZINC000808676613 994219338 /nfs/dbraw/zinc/21/93/38/994219338.db2.gz OVLPGJQWTBZQGM-UHFFFAOYSA-N -1 3 355.306 2.519 20 5 FFBDHM COc1cccc2c(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)[n-]nc21 ZINC000808676613 994219351 /nfs/dbraw/zinc/21/93/51/994219351.db2.gz OVLPGJQWTBZQGM-UHFFFAOYSA-N -1 3 355.306 2.519 20 5 FFBDHM O=C([N-][C@@H]1COc2ccc(F)cc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000811569336 995192966 /nfs/dbraw/zinc/19/29/66/995192966.db2.gz WLTGXKVTXIZYHM-ZDUSSCGKSA-N -1 3 366.295 2.946 20 5 FFBDHM COc1ccc(C(C)=O)c(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000727965006 996101144 /nfs/dbraw/zinc/10/11/44/996101144.db2.gz GPUFAFUSACPJBJ-UHFFFAOYSA-N -1 3 355.306 2.902 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)c([N+](=O)[O-])s1 ZINC001188837763 1006738111 /nfs/dbraw/zinc/73/81/11/1006738111.db2.gz JJVDDVYRYQSWNH-QMMMGPOBSA-N -1 3 374.465 2.966 20 5 FFBDHM Cc1ccnc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c1 ZINC001212837874 1009472765 /nfs/dbraw/zinc/47/27/65/1009472765.db2.gz CWQCGUHEOMXPRK-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1ccnc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c1 ZINC001212837874 1009472770 /nfs/dbraw/zinc/47/27/70/1009472770.db2.gz CWQCGUHEOMXPRK-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3cccc(-n4cccn4)c3)no2)cc1[N+](=O)[O-] ZINC001212844147 1009545888 /nfs/dbraw/zinc/54/58/88/1009545888.db2.gz KVPDSENOFBINLP-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM O=C1CCCc2cc(-c3noc(-c4c[n-]c(=O)c([N+](=O)[O-])c4)n3)ccc21 ZINC001212844534 1009560329 /nfs/dbraw/zinc/56/03/29/1009560329.db2.gz YWLRHEYWQFQNRU-UHFFFAOYSA-N -1 3 352.306 2.931 20 5 FFBDHM COC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000778035299 1020615175 /nfs/dbraw/zinc/61/51/75/1020615175.db2.gz LQVHQRRBVMFYSJ-AWEZNQCLSA-N -1 3 370.352 2.925 20 5 FFBDHM COc1cc(C(=O)OCCOc2ccccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC000754272755 1023447921 /nfs/dbraw/zinc/44/79/21/1023447921.db2.gz VOQPABPJNMOOOS-UHFFFAOYSA-N -1 3 363.322 2.553 20 5 FFBDHM Cn1c(-c2cc([N+](=O)[O-])c[n-]c2=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001122989047 1023586514 /nfs/dbraw/zinc/58/65/14/1023586514.db2.gz HXHIALSJTSBSPN-VXGBXAGGSA-N -1 3 358.402 2.507 20 5 FFBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000759169016 1024502221 /nfs/dbraw/zinc/50/22/21/1024502221.db2.gz KEVJBYYQSMPNKZ-UHFFFAOYSA-N -1 3 370.390 2.962 20 5 FFBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000837324027 1025725182 /nfs/dbraw/zinc/72/51/82/1025725182.db2.gz WSBSKPUEJIAAFC-UHFFFAOYSA-N -1 3 370.365 2.899 20 5 FFBDHM CC(C)(C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000837741615 1025992768 /nfs/dbraw/zinc/99/27/68/1025992768.db2.gz JLIRYVAJYAWNFY-UHFFFAOYSA-N -1 3 357.366 2.989 20 5 FFBDHM COc1cc(F)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1F ZINC001212936870 1027440747 /nfs/dbraw/zinc/44/07/47/1027440747.db2.gz BDYNECXFCCRKQO-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM C[C@H](C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001160955188 1027943019 /nfs/dbraw/zinc/94/30/19/1027943019.db2.gz OUYPNKMXPIDRRJ-JTQLQIEISA-N -1 3 370.344 2.580 20 5 FFBDHM C[C@H](C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001160955188 1027943031 /nfs/dbraw/zinc/94/30/31/1027943031.db2.gz OUYPNKMXPIDRRJ-JTQLQIEISA-N -1 3 370.344 2.580 20 5 FFBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc(Cl)c1OC ZINC001161562140 1028231566 /nfs/dbraw/zinc/23/15/66/1028231566.db2.gz PPQCIKMCZLLHFK-UHFFFAOYSA-N -1 3 353.718 2.618 20 5 FFBDHM CCc1[nH]nc(C(=O)[N-]c2sc(C)c(C)c2C(=O)OC)c1[N+](=O)[O-] ZINC001163689724 1029027291 /nfs/dbraw/zinc/02/72/91/1029027291.db2.gz LZIKSVYGNWJEDG-UHFFFAOYSA-N -1 3 352.372 2.598 20 5 FFBDHM O=C([N-]c1c(Cl)cncc1Cl)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001534430810 1069646666 /nfs/dbraw/zinc/64/66/66/1069646666.db2.gz MTSAYHBOSTZVPM-UHFFFAOYSA-N -1 3 356.121 2.700 20 5 FFBDHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001138015173 1033561476 /nfs/dbraw/zinc/56/14/76/1033561476.db2.gz TYBMEEUKXPMQLR-UHFFFAOYSA-N -1 3 373.756 2.846 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225660027 1034355303 /nfs/dbraw/zinc/35/53/03/1034355303.db2.gz BTOBNHFJOMLTTC-ZYHUDNBSSA-N -1 3 371.365 2.812 20 5 FFBDHM Cc1cc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)[n-]c(=S)n1 ZINC001226798412 1034843845 /nfs/dbraw/zinc/84/38/45/1034843845.db2.gz HYWUYDMHBVRJNA-JTQLQIEISA-N -1 3 350.375 2.779 20 5 FFBDHM O=c1cccc2oc3cc([O-])c(O[C@@H]4C[NH+]5CCC4CC5)cc3c([O-])c1-2 ZINC001227305848 1035499509 /nfs/dbraw/zinc/49/95/09/1035499509.db2.gz ASPCYEWSVKQJJX-GOSISDBHSA-N -1 3 353.374 2.830 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(OC3CCN(c4ccnc(Cl)n4)CC3)[n-]c2c1 ZINC001227746000 1035710557 /nfs/dbraw/zinc/71/05/57/1035710557.db2.gz PMJWFVVGHHHHHV-UHFFFAOYSA-N -1 3 374.788 2.962 20 5 FFBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCN(c4ccnc(Cl)n4)CC3)nc2c1 ZINC001227746000 1035710565 /nfs/dbraw/zinc/71/05/65/1035710565.db2.gz PMJWFVVGHHHHHV-UHFFFAOYSA-N -1 3 374.788 2.962 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2F)c1[N+](=O)[O-] ZINC001228685794 1036255047 /nfs/dbraw/zinc/25/50/47/1036255047.db2.gz KLIQFJQZZPHNMQ-GHMZBOCLSA-N -1 3 371.365 2.730 20 5 FFBDHM CN(C)C(=O)C1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000836812813 1036853626 /nfs/dbraw/zinc/85/36/26/1036853626.db2.gz FSJPKUSODBQZBX-UHFFFAOYSA-N -1 3 369.368 2.594 20 5 FFBDHM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@H]3CCc4nccn4C3)c12 ZINC001234747047 1037163953 /nfs/dbraw/zinc/16/39/53/1037163953.db2.gz HTVQMAIZJOUULD-ZDUSSCGKSA-N -1 3 364.357 2.948 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)c([N+](=O)[O-])s1 ZINC001208163899 1038104832 /nfs/dbraw/zinc/10/48/32/1038104832.db2.gz YZWZOFOJKYMHFD-UHFFFAOYSA-N -1 3 361.489 2.508 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC001208385645 1038274199 /nfs/dbraw/zinc/27/41/99/1038274199.db2.gz JTNCESGOAHMGRJ-CMPLNLGQSA-N -1 3 362.473 2.838 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2C=CCC2)c1 ZINC001309804624 1043535653 /nfs/dbraw/zinc/53/56/53/1043535653.db2.gz APVWHFVMWFUWHK-SECBINFHSA-N -1 3 361.217 2.602 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC001309903989 1043583090 /nfs/dbraw/zinc/58/30/90/1043583090.db2.gz DQYIHKVJTMPYJT-SNVBAGLBSA-N -1 3 355.441 2.696 20 5 FFBDHM Cc1nn(-c2cccnc2)nc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC001539612393 1070668569 /nfs/dbraw/zinc/66/85/69/1070668569.db2.gz NZYMVJSCYXASTP-UHFFFAOYSA-N -1 3 356.317 2.579 20 5 FFBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCO)s1 ZINC001542218521 1071191646 /nfs/dbraw/zinc/19/16/46/1071191646.db2.gz GUVUDRUZECOZDK-UHFFFAOYSA-N -1 3 368.440 2.736 20 5 FFBDHM O=C1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1c1ccc(Cl)c(F)c1 ZINC001307072896 1052247310 /nfs/dbraw/zinc/24/73/10/1052247310.db2.gz NSNXBEHRGPBKMC-QMMMGPOBSA-N -1 3 366.736 2.705 20 5 FFBDHM COc1ccc([N-]C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC001348467179 1054718130 /nfs/dbraw/zinc/71/81/30/1054718130.db2.gz FDISUJBBGFDBFJ-UHFFFAOYSA-N -1 3 365.273 2.912 20 5 FFBDHM O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1[O-] ZINC001546000097 1058700039 /nfs/dbraw/zinc/70/00/39/1058700039.db2.gz ASSWJOJSBILJJE-UHFFFAOYSA-N -1 3 364.745 2.714 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(F)cc1[N+](=O)[O-] ZINC001462932860 1061851149 /nfs/dbraw/zinc/85/11/49/1061851149.db2.gz AMDVKQKDJIFCIJ-UHFFFAOYSA-N -1 3 360.313 2.799 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001532769936 1063168143 /nfs/dbraw/zinc/16/81/43/1063168143.db2.gz FSWRNCGSHAARDW-ZDUSSCGKSA-N -1 3 356.382 2.639 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC001471122632 1064566182 /nfs/dbraw/zinc/56/61/82/1064566182.db2.gz GCNDOLUBTXKKQJ-QGZVFWFLSA-N -1 3 362.407 2.660 20 5 FFBDHM COc1cc(CNc2cccc(N3CCCNC3=O)c2)c([N+](=O)[O-])cc1[O-] ZINC001474056213 1065448821 /nfs/dbraw/zinc/44/88/21/1065448821.db2.gz ISEJXOKAJOBVHX-UHFFFAOYSA-N -1 3 372.381 2.841 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)nc1 ZINC001474914008 1065646081 /nfs/dbraw/zinc/64/60/81/1065646081.db2.gz UMUGTSAPUZIVHR-UHFFFAOYSA-N -1 3 355.803 2.554 20 5 FFBDHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1(C)C ZINC001475014456 1065672922 /nfs/dbraw/zinc/67/29/22/1065672922.db2.gz MIDMRFLJYJPQBT-DZGCQCFKSA-N -1 3 360.407 2.524 20 5 FFBDHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001577109847 1078304694 /nfs/dbraw/zinc/30/46/94/1078304694.db2.gz DPWXRQJMIYGGKM-LSDHHAIUSA-N -1 3 360.418 2.805 20 5 FFBDHM CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001577109847 1078304696 /nfs/dbraw/zinc/30/46/96/1078304696.db2.gz DPWXRQJMIYGGKM-LSDHHAIUSA-N -1 3 360.418 2.805 20 5 FFBDHM CCCN(C(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001577541143 1078375804 /nfs/dbraw/zinc/37/58/04/1078375804.db2.gz PDMMQAIEVYJHFM-UHFFFAOYSA-N -1 3 367.369 2.535 20 5 FFBDHM CCCN(C(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001577541143 1078375805 /nfs/dbraw/zinc/37/58/05/1078375805.db2.gz PDMMQAIEVYJHFM-UHFFFAOYSA-N -1 3 367.369 2.535 20 5 FFBDHM Cc1cc(C)c2c(c1)CN(c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CC2 ZINC001580904171 1078890109 /nfs/dbraw/zinc/89/01/09/1078890109.db2.gz JIHLMAFFXUJHJO-UHFFFAOYSA-N -1 3 365.397 2.537 20 5 FFBDHM Cc1cc(C)c2c(c1)CN(c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CC2 ZINC001580904171 1078890115 /nfs/dbraw/zinc/89/01/15/1078890115.db2.gz JIHLMAFFXUJHJO-UHFFFAOYSA-N -1 3 365.397 2.537 20 5 FFBDHM Cc1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001581200869 1078935116 /nfs/dbraw/zinc/93/51/16/1078935116.db2.gz WZQCKHPBORDFGL-UHFFFAOYSA-N -1 3 373.304 2.743 20 5 FFBDHM Cc1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001581200869 1078935119 /nfs/dbraw/zinc/93/51/19/1078935119.db2.gz WZQCKHPBORDFGL-UHFFFAOYSA-N -1 3 373.304 2.743 20 5 FFBDHM Cc1ccc(OCCN(C)c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001581210069 1078938858 /nfs/dbraw/zinc/93/88/58/1078938858.db2.gz DLUIWCCGMGADGP-UHFFFAOYSA-N -1 3 372.360 2.738 20 5 FFBDHM Cc1ccc(OCCN(C)c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001581210069 1078938861 /nfs/dbraw/zinc/93/88/61/1078938861.db2.gz DLUIWCCGMGADGP-UHFFFAOYSA-N -1 3 372.360 2.738 20 5 FFBDHM O=C(c1cc(-c2nnn[n-]2)ccc1F)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001582684942 1079097402 /nfs/dbraw/zinc/09/74/02/1079097402.db2.gz MFXQLHMYQVLCTK-UHFFFAOYSA-N -1 3 368.328 2.507 20 5 FFBDHM O=C(c1cc(-c2nn[n-]n2)ccc1F)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC001582684942 1079097404 /nfs/dbraw/zinc/09/74/04/1079097404.db2.gz MFXQLHMYQVLCTK-UHFFFAOYSA-N -1 3 368.328 2.507 20 5 FFBDHM O=C(c1cc(F)cc2n[n-]nc21)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001585124734 1079428850 /nfs/dbraw/zinc/42/88/50/1079428850.db2.gz FHZSBARTNOFCAD-UHFFFAOYSA-N -1 3 355.329 2.988 20 5 FFBDHM Cc1cc2n[n-]c(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)c2c(=O)n1C ZINC001557136734 1075812492 /nfs/dbraw/zinc/81/24/92/1075812492.db2.gz LFWCIUUKSZLYTH-UHFFFAOYSA-N -1 3 369.381 2.854 20 5 FFBDHM Cn1ncc2c1nc(SCc1cc([N+](=O)[O-])ccc1Cl)[n-]c2=O ZINC001559441031 1076160494 /nfs/dbraw/zinc/16/04/94/1076160494.db2.gz SKWDPXYUBJOOLQ-UHFFFAOYSA-N -1 3 351.775 2.923 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1cccc(F)c1 ZINC001561918146 1076444589 /nfs/dbraw/zinc/44/45/89/1076444589.db2.gz IFAOLAFVWHCZCT-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM Cc1c(CC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cccc1[N+](=O)[O-] ZINC001570609963 1077217739 /nfs/dbraw/zinc/21/77/39/1077217739.db2.gz XYKUYOMTWJQQFC-UHFFFAOYSA-N -1 3 360.370 2.763 20 5 FFBDHM Cc1c(CC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cccc1[N+](=O)[O-] ZINC001570609963 1077217741 /nfs/dbraw/zinc/21/77/41/1077217741.db2.gz XYKUYOMTWJQQFC-UHFFFAOYSA-N -1 3 360.370 2.763 20 5 FFBDHM CC(C)(C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589061859 1080334308 /nfs/dbraw/zinc/33/43/08/1080334308.db2.gz MXBSFVQCYPDUPE-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM CC(C)(C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589061859 1080334315 /nfs/dbraw/zinc/33/43/15/1080334315.db2.gz MXBSFVQCYPDUPE-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM CC(C)(C)[C@@H]1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001589105406 1080357318 /nfs/dbraw/zinc/35/73/18/1080357318.db2.gz WCTIDNGBWKXVPN-AWEZNQCLSA-N -1 3 364.381 2.555 20 5 FFBDHM CC(C)(C)[C@@H]1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001589105406 1080357327 /nfs/dbraw/zinc/35/73/27/1080357327.db2.gz WCTIDNGBWKXVPN-AWEZNQCLSA-N -1 3 364.381 2.555 20 5 FFBDHM CC(C)(C)c1coc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)n1 ZINC001589234945 1080437480 /nfs/dbraw/zinc/43/74/80/1080437480.db2.gz YUTHPTHXKMXZAY-UHFFFAOYSA-N -1 3 361.387 2.794 20 5 FFBDHM CC(C)(C)c1coc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)n1 ZINC001589234945 1080437485 /nfs/dbraw/zinc/43/74/85/1080437485.db2.gz YUTHPTHXKMXZAY-UHFFFAOYSA-N -1 3 361.387 2.794 20 5 FFBDHM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1cccnc1 ZINC001589457035 1080543172 /nfs/dbraw/zinc/54/31/72/1080543172.db2.gz PDQDLYLIMURHIV-GFCCVEGCSA-N -1 3 368.401 2.604 20 5 FFBDHM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1cccnc1 ZINC001589457035 1080543177 /nfs/dbraw/zinc/54/31/77/1080543177.db2.gz PDQDLYLIMURHIV-GFCCVEGCSA-N -1 3 368.401 2.604 20 5 FFBDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC001589702169 1080679298 /nfs/dbraw/zinc/67/92/98/1080679298.db2.gz UZOOVFFDNWKRAZ-UHFFFAOYSA-N -1 3 366.381 2.826 20 5 FFBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC001589702169 1080679301 /nfs/dbraw/zinc/67/93/01/1080679301.db2.gz UZOOVFFDNWKRAZ-UHFFFAOYSA-N -1 3 366.381 2.826 20 5 FFBDHM C[C@@H](Cc1cccc(F)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589899317 1080848124 /nfs/dbraw/zinc/84/81/24/1080848124.db2.gz IMPOBQIWURANNP-NSHDSACASA-N -1 3 356.361 2.981 20 5 FFBDHM C[C@@H](Cc1cccc(F)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589899317 1080848129 /nfs/dbraw/zinc/84/81/29/1080848129.db2.gz IMPOBQIWURANNP-NSHDSACASA-N -1 3 356.361 2.981 20 5 FFBDHM C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920568 1080860524 /nfs/dbraw/zinc/86/05/24/1080860524.db2.gz XVKDQZIJLUPVDS-RYUDHWBXSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920568 1080860533 /nfs/dbraw/zinc/86/05/33/1080860533.db2.gz XVKDQZIJLUPVDS-RYUDHWBXSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590224777 1081106029 /nfs/dbraw/zinc/10/60/29/1081106029.db2.gz YLGFOKIZLHBBMU-ICGCDAGXSA-N -1 3 357.370 2.500 20 5 FFBDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590224777 1081106040 /nfs/dbraw/zinc/10/60/40/1081106040.db2.gz YLGFOKIZLHBBMU-ICGCDAGXSA-N -1 3 357.370 2.500 20 5 FFBDHM C[C@H]1CCCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590256057 1081126532 /nfs/dbraw/zinc/12/65/32/1081126532.db2.gz ZNNVREDAIIDZSA-NSHDSACASA-N -1 3 353.386 2.950 20 5 FFBDHM C[C@H]1CCCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590256057 1081126535 /nfs/dbraw/zinc/12/65/35/1081126535.db2.gz ZNNVREDAIIDZSA-NSHDSACASA-N -1 3 353.386 2.950 20 5 FFBDHM COc1cc(CNC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000101588792 250081630 /nfs/dbraw/zinc/08/16/30/250081630.db2.gz RWZSSMSAKFMPNX-HNNXBMFYSA-N -1 3 361.398 2.829 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C ZINC000273417626 252303030 /nfs/dbraw/zinc/30/30/30/252303030.db2.gz JHHAJSDGQYBRJR-NSHDSACASA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000273417626 252303035 /nfs/dbraw/zinc/30/30/35/252303035.db2.gz JHHAJSDGQYBRJR-NSHDSACASA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCN(C)C ZINC000275799270 256049401 /nfs/dbraw/zinc/04/94/01/256049401.db2.gz OOZNGZLTRCSSOD-UHFFFAOYSA-N -1 3 363.439 2.808 20 5 FFBDHM COCc1nc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cs1 ZINC000276748124 256127086 /nfs/dbraw/zinc/12/70/86/256127086.db2.gz FVWWVKMFKBBAAE-UHFFFAOYSA-N -1 3 365.367 2.545 20 5 FFBDHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277915998 256255391 /nfs/dbraw/zinc/25/53/91/256255391.db2.gz PMFWMTQSWCMTLI-AWEZNQCLSA-N -1 3 359.338 2.506 20 5 FFBDHM NC(=O)c1cc([N+](=O)[O-])cnc1[N-]c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000301421984 258048858 /nfs/dbraw/zinc/04/88/58/258048858.db2.gz DBSHKWGZEXANHZ-UHFFFAOYSA-N -1 3 372.772 2.731 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(C[C@@H]2CCCO2)c1 ZINC000301680656 258062905 /nfs/dbraw/zinc/06/29/05/258062905.db2.gz JOINQXAPIHZAEO-NSHDSACASA-N -1 3 368.191 2.871 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331125421 258177846 /nfs/dbraw/zinc/17/78/46/258177846.db2.gz YOEUWRGQWFIQLD-KGLIPLIRSA-N -1 3 356.444 2.694 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000331183532 258179206 /nfs/dbraw/zinc/17/92/06/258179206.db2.gz SLPAYPYVSIKLLA-DGCLKSJQSA-N -1 3 374.484 2.946 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)c(Br)c1 ZINC000331353912 258182900 /nfs/dbraw/zinc/18/29/00/258182900.db2.gz YUIXATZKNIBHQL-VIFPVBQESA-N -1 3 361.217 2.744 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000032410934 506249671 /nfs/dbraw/zinc/24/96/71/506249671.db2.gz XPNZGBJQWUPULD-UHFFFAOYSA-N -1 3 362.407 2.614 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1F ZINC000053671180 506426627 /nfs/dbraw/zinc/42/66/27/506426627.db2.gz YXNXTLFIKHRJES-NSHDSACASA-N -1 3 368.386 2.652 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067434135 506878221 /nfs/dbraw/zinc/87/82/21/506878221.db2.gz RIVLYPAKTOLYJG-UONOGXRCSA-N -1 3 366.370 2.577 20 5 FFBDHM CCCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025108424 507467676 /nfs/dbraw/zinc/46/76/76/507467676.db2.gz WENTYWUHRWDDAZ-JTQLQIEISA-N -1 3 365.415 2.811 20 5 FFBDHM Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000060950027 507587168 /nfs/dbraw/zinc/58/71/68/507587168.db2.gz ORVKMCFXQXUJQG-UHFFFAOYSA-N -1 3 374.422 2.622 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000079262039 507948845 /nfs/dbraw/zinc/94/88/45/507948845.db2.gz SFIGBHHDDYLPIM-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)cc1C ZINC000092264487 508055826 /nfs/dbraw/zinc/05/58/26/508055826.db2.gz POMSXSDWUMNHAZ-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000075181018 508087971 /nfs/dbraw/zinc/08/79/71/508087971.db2.gz URXAJHDTMJKXAF-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000111358752 508093811 /nfs/dbraw/zinc/09/38/11/508093811.db2.gz LHVKYEPWWNFWJT-UKRRQHHQSA-N -1 3 362.407 2.685 20 5 FFBDHM CCc1cccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000081784449 508211032 /nfs/dbraw/zinc/21/10/32/508211032.db2.gz GKYBJZLCKLQMHB-ZDUSSCGKSA-N -1 3 356.382 2.584 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c(F)c1 ZINC000096996762 508216984 /nfs/dbraw/zinc/21/69/84/508216984.db2.gz YRIULXMYZQQBCB-UHFFFAOYSA-N -1 3 363.370 2.736 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1F ZINC000101570911 508247930 /nfs/dbraw/zinc/24/79/30/508247930.db2.gz YPKZMGQJOYPJPL-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC(=O)c1cccs1 ZINC000152384213 508435358 /nfs/dbraw/zinc/43/53/58/508435358.db2.gz AVHDKXGTQKZEQS-LLVKDONJSA-N -1 3 368.436 2.905 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000123194792 508650437 /nfs/dbraw/zinc/65/04/37/508650437.db2.gz MTSXMEPIVDTSSM-UHFFFAOYSA-N -1 3 371.440 2.625 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2coc(Br)c2)cc([N+](=O)[O-])c1 ZINC000136152926 508674462 /nfs/dbraw/zinc/67/44/62/508674462.db2.gz XFAWGIHPCMSGAP-UHFFFAOYSA-N -1 3 369.127 2.989 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(F)cccc2CO)c1C ZINC000158895103 508765066 /nfs/dbraw/zinc/76/50/66/508765066.db2.gz JMVLVZYOGYCKIU-UHFFFAOYSA-N -1 3 354.359 2.644 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)on1 ZINC000129779212 508765176 /nfs/dbraw/zinc/76/51/76/508765176.db2.gz IFEDVIZWEOXCBN-UHFFFAOYSA-N -1 3 359.363 2.728 20 5 FFBDHM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CN1Cc1ccccc1 ZINC000137881811 508766536 /nfs/dbraw/zinc/76/65/36/508766536.db2.gz GQRLLNBHDPFYAT-CJNGLKHVSA-N -1 3 355.394 2.693 20 5 FFBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124122997 508785805 /nfs/dbraw/zinc/78/58/05/508785805.db2.gz WQIKOYGPXXHAJF-VHSXEESVSA-N -1 3 350.487 2.917 20 5 FFBDHM O=C(c1ccc([O-])cc1)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154480654 508793563 /nfs/dbraw/zinc/79/35/63/508793563.db2.gz PPXIGGLCJNTXCU-LJQANCHMSA-N -1 3 370.405 2.929 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)[n-]c21 ZINC000159306835 508821911 /nfs/dbraw/zinc/82/19/11/508821911.db2.gz KABVPZPSBMKDBZ-UHFFFAOYSA-N -1 3 372.312 2.578 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)nc21 ZINC000159306835 508821912 /nfs/dbraw/zinc/82/19/12/508821912.db2.gz KABVPZPSBMKDBZ-UHFFFAOYSA-N -1 3 372.312 2.578 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131303905 508912932 /nfs/dbraw/zinc/91/29/32/508912932.db2.gz JRVBZRMWGUHCAM-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c1C ZINC000160126912 508941994 /nfs/dbraw/zinc/94/19/94/508941994.db2.gz KYSSKKKUPYGQAS-LBPRGKRZSA-N -1 3 350.396 2.957 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000125749983 509025474 /nfs/dbraw/zinc/02/54/74/509025474.db2.gz KIKNXQWCINLEHT-BXKDBHETSA-N -1 3 368.436 2.808 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000151485180 509027082 /nfs/dbraw/zinc/02/70/82/509027082.db2.gz KCRNJNBLINSBCD-CQSZACIVSA-N -1 3 371.440 2.664 20 5 FFBDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000127085438 509165453 /nfs/dbraw/zinc/16/54/53/509165453.db2.gz FMMJREIFYQMKNI-SSDOTTSWSA-N -1 3 361.470 2.812 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000198844067 509230049 /nfs/dbraw/zinc/23/00/49/509230049.db2.gz PANQPHRQNUXGFL-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000191951675 509260354 /nfs/dbraw/zinc/26/03/54/509260354.db2.gz AHDQZADCFZBDID-UHFFFAOYSA-N -1 3 373.409 2.513 20 5 FFBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000189149938 509436378 /nfs/dbraw/zinc/43/63/78/509436378.db2.gz COHDEJZHTTVUQA-SECBINFHSA-N -1 3 371.802 2.691 20 5 FFBDHM Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000264490030 509558646 /nfs/dbraw/zinc/55/86/46/509558646.db2.gz SJEJAUCAYHQFFJ-UHFFFAOYSA-N -1 3 356.382 2.859 20 5 FFBDHM COc1cc(C)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000179658074 509559306 /nfs/dbraw/zinc/55/93/06/509559306.db2.gz GUVRBIYMMWNPKI-UHFFFAOYSA-N -1 3 350.396 2.896 20 5 FFBDHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000173466171 509619481 /nfs/dbraw/zinc/61/94/81/509619481.db2.gz IBFDEUDGWZOKMU-CQSZACIVSA-N -1 3 367.452 2.930 20 5 FFBDHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176691780 509645084 /nfs/dbraw/zinc/64/50/84/509645084.db2.gz AVHZKASJMPYTMI-JTQLQIEISA-N -1 3 372.834 2.638 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000170735711 509747450 /nfs/dbraw/zinc/74/74/50/509747450.db2.gz BRPPIUFWKBSBAD-OAHLLOKOSA-N -1 3 350.396 2.569 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000189937165 509839686 /nfs/dbraw/zinc/83/96/86/509839686.db2.gz LGAUAYIODQIEKZ-OAHLLOKOSA-N -1 3 364.423 2.878 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000186701200 509859966 /nfs/dbraw/zinc/85/99/66/509859966.db2.gz BMRIOHFNJSQZPV-SECBINFHSA-N -1 3 372.374 2.992 20 5 FFBDHM Cc1ccccc1CCc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000193946087 510143893 /nfs/dbraw/zinc/14/38/93/510143893.db2.gz TYOUJVIUHUVJIE-UHFFFAOYSA-N -1 3 367.365 2.764 20 5 FFBDHM Cc1cc(C(=O)NCC(=O)Nc2ccc(Cl)cc2[O-])ccc1[N+](=O)[O-] ZINC000184136424 510156168 /nfs/dbraw/zinc/15/61/68/510156168.db2.gz YYBZXLZLURNUNJ-UHFFFAOYSA-N -1 3 363.757 2.631 20 5 FFBDHM COc1cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000270126560 510685148 /nfs/dbraw/zinc/68/51/48/510685148.db2.gz PAIZAILWGXYXKP-NDHGSNPTSA-N -1 3 364.423 2.897 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CN3CCCCC3)cs2)n1 ZINC000191782623 510829478 /nfs/dbraw/zinc/82/94/78/510829478.db2.gz VYKQSTANTQNJJX-UHFFFAOYSA-N -1 3 364.431 2.506 20 5 FFBDHM C[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185430488 510843052 /nfs/dbraw/zinc/84/30/52/510843052.db2.gz QRGNUYPUCGANSN-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185430488 510843056 /nfs/dbraw/zinc/84/30/56/510843056.db2.gz QRGNUYPUCGANSN-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000185430488 510843058 /nfs/dbraw/zinc/84/30/58/510843058.db2.gz QRGNUYPUCGANSN-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM Cn1cc2c(n1)CCC[C@@H]2[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000282332401 510935228 /nfs/dbraw/zinc/93/52/28/510935228.db2.gz ABZZFRNKZWSFJB-ZDUSSCGKSA-N -1 3 350.325 2.614 20 5 FFBDHM Cc1nc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc2c1CCCC2 ZINC000297939487 511116963 /nfs/dbraw/zinc/11/69/63/511116963.db2.gz DBUGNXAAIXUGJS-UHFFFAOYSA-N -1 3 352.354 2.701 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCSC2)c(C(F)(F)F)c1 ZINC000279751071 511201317 /nfs/dbraw/zinc/20/13/17/511201317.db2.gz LKARCYRYMXXGMJ-MRVPVSSYSA-N -1 3 370.374 2.645 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(C)c(C(=O)OC)s1 ZINC000279840136 511235664 /nfs/dbraw/zinc/23/56/64/511235664.db2.gz ZVNHDNUBTUQEOI-UHFFFAOYSA-N -1 3 365.367 2.797 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000363077146 511338542 /nfs/dbraw/zinc/33/85/42/511338542.db2.gz IENCLBVRUXPBOU-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000363077146 511338546 /nfs/dbraw/zinc/33/85/46/511338546.db2.gz IENCLBVRUXPBOU-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)o1 ZINC000291850156 511364120 /nfs/dbraw/zinc/36/41/20/511364120.db2.gz DGWPDDIZUGQWON-UHFFFAOYSA-N -1 3 373.818 2.894 20 5 FFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295484181 511421348 /nfs/dbraw/zinc/42/13/48/511421348.db2.gz FBOQMEYOVVYTSE-UHFFFAOYSA-N -1 3 364.276 2.617 20 5 FFBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280889563 511642336 /nfs/dbraw/zinc/64/23/36/511642336.db2.gz BPARYPGOHGQAGQ-UHFFFAOYSA-N -1 3 355.394 2.695 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000323948305 511832866 /nfs/dbraw/zinc/83/28/66/511832866.db2.gz WCXVXRHXEAFPAG-HNNXBMFYSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c1C ZINC000434767353 513423733 /nfs/dbraw/zinc/42/37/33/513423733.db2.gz WGKDWURYUKUCED-OAHLLOKOSA-N -1 3 367.471 2.507 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c1C ZINC000434767352 513424185 /nfs/dbraw/zinc/42/41/85/513424185.db2.gz WGKDWURYUKUCED-HNNXBMFYSA-N -1 3 367.471 2.507 20 5 FFBDHM CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000416551057 513830269 /nfs/dbraw/zinc/83/02/69/513830269.db2.gz RRVWSVOEGIVVGC-GXSJLCMTSA-N -1 3 363.233 2.680 20 5 FFBDHM Cc1nc(NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000436833467 514000480 /nfs/dbraw/zinc/00/04/80/514000480.db2.gz LZXLWKDTJLMVLY-UHFFFAOYSA-N -1 3 356.382 2.721 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000451819944 514002953 /nfs/dbraw/zinc/00/29/53/514002953.db2.gz XGAKCYZAAIJYDL-GJZGRUSLSA-N -1 3 370.471 2.941 20 5 FFBDHM COc1cc(-c2noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)ccc1[O-] ZINC000436930995 514039907 /nfs/dbraw/zinc/03/99/07/514039907.db2.gz ZWFWXYPULXEXKD-UHFFFAOYSA-N -1 3 357.278 2.755 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2n[n-]nc2c1 ZINC000427604649 514262276 /nfs/dbraw/zinc/26/22/76/514262276.db2.gz QFLSSJFGOBULFX-UHFFFAOYSA-N -1 3 365.271 2.815 20 5 FFBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427910272 514345235 /nfs/dbraw/zinc/34/52/35/514345235.db2.gz AYKCYFISWPXBRS-GOSISDBHSA-N -1 3 355.394 2.867 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)N=c2cc(-c3cc(C)c(C)cc3C)[n-][nH]2)n1 ZINC000427949952 514354136 /nfs/dbraw/zinc/35/41/36/514354136.db2.gz KWZZJWRGOJBZJX-UHFFFAOYSA-N -1 3 368.397 2.801 20 5 FFBDHM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccc([O-])c(F)c1 ZINC000428030189 514380872 /nfs/dbraw/zinc/38/08/72/514380872.db2.gz GZMONNWSMYBSNP-UHFFFAOYSA-N -1 3 371.324 2.683 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000433462864 514499275 /nfs/dbraw/zinc/49/92/75/514499275.db2.gz MIQDHXCARCVMPY-UONOGXRCSA-N -1 3 350.371 2.877 20 5 FFBDHM COc1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000445699653 514507119 /nfs/dbraw/zinc/50/71/19/514507119.db2.gz MPBZOKQBSCJONV-SNVBAGLBSA-N -1 3 370.349 2.859 20 5 FFBDHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452859773 514521678 /nfs/dbraw/zinc/52/16/78/514521678.db2.gz BQDDJXVEVSYXMY-CQSZACIVSA-N -1 3 351.366 2.886 20 5 FFBDHM COc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc([N+](=O)[O-])c1OC ZINC000479477684 514599064 /nfs/dbraw/zinc/59/90/64/514599064.db2.gz ULFMUNKLVCRCGK-UHFFFAOYSA-N -1 3 373.325 2.551 20 5 FFBDHM COc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc([N+](=O)[O-])c1OC ZINC000479477684 514599080 /nfs/dbraw/zinc/59/90/80/514599080.db2.gz ULFMUNKLVCRCGK-UHFFFAOYSA-N -1 3 373.325 2.551 20 5 FFBDHM COc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc([N+](=O)[O-])c1OC ZINC000479477684 514599087 /nfs/dbraw/zinc/59/90/87/514599087.db2.gz ULFMUNKLVCRCGK-UHFFFAOYSA-N -1 3 373.325 2.551 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1ccccc1F ZINC000479924630 514777865 /nfs/dbraw/zinc/77/78/65/514777865.db2.gz ZPQOAMGNNBOSLP-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])nc2c1 ZINC000466910598 514822562 /nfs/dbraw/zinc/82/25/62/514822562.db2.gz IDBQVCUJEBDFLF-UHFFFAOYSA-N -1 3 360.395 2.566 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000466910598 514822572 /nfs/dbraw/zinc/82/25/72/514822572.db2.gz IDBQVCUJEBDFLF-UHFFFAOYSA-N -1 3 360.395 2.566 20 5 FFBDHM CC(C)(COCC(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000471320951 514838465 /nfs/dbraw/zinc/83/84/65/514838465.db2.gz FSUIMQPAVCXNHF-UHFFFAOYSA-N -1 3 368.340 2.653 20 5 FFBDHM Cc1ccc(-n2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn2)c(C)c1 ZINC000471343197 514844363 /nfs/dbraw/zinc/84/43/63/514844363.db2.gz VZCMHXPQKZAXRR-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467083052 514892376 /nfs/dbraw/zinc/89/23/76/514892376.db2.gz DYRPUGHBCNGLNP-STQMWFEESA-N -1 3 352.437 2.874 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000489772407 514969604 /nfs/dbraw/zinc/96/96/04/514969604.db2.gz SZKAKIZAUVXAGO-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCN2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000467423373 515001840 /nfs/dbraw/zinc/00/18/40/515001840.db2.gz MLVGPKFYWDICTK-QWRGUYRKSA-N -1 3 361.489 2.506 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H]1C1CCCCC1 ZINC000462492869 515082559 /nfs/dbraw/zinc/08/25/59/515082559.db2.gz VVDXWXMVEIMFAC-KBPBESRZSA-N -1 3 354.428 2.851 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000462599584 515145717 /nfs/dbraw/zinc/14/57/17/515145717.db2.gz BMAQPUCZGZFHBM-CYBMUJFWSA-N -1 3 366.443 2.683 20 5 FFBDHM Cc1cc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)ccc1[N+](=O)[O-] ZINC000481112750 515211552 /nfs/dbraw/zinc/21/15/52/515211552.db2.gz AJRRXZQGIQGHSN-UHFFFAOYSA-N -1 3 372.381 2.550 20 5 FFBDHM COC(=O)COc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c2cccnc12 ZINC000490724988 515292248 /nfs/dbraw/zinc/29/22/48/515292248.db2.gz QKFIKVOAGARMMT-UHFFFAOYSA-N -1 3 371.305 2.540 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)COc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000509804378 515329562 /nfs/dbraw/zinc/32/95/62/515329562.db2.gz QLGCBXRMNLQCJG-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000509808689 515332330 /nfs/dbraw/zinc/33/23/30/515332330.db2.gz VVYCZKMITMQQMU-UHFFFAOYSA-N -1 3 371.418 2.972 20 5 FFBDHM COc1cccc(C2([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)c1 ZINC000510395598 515528438 /nfs/dbraw/zinc/52/84/38/515528438.db2.gz NGJGOFLOBQPJCO-UHFFFAOYSA-N -1 3 368.436 2.941 20 5 FFBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000486636774 515573392 /nfs/dbraw/zinc/57/33/92/515573392.db2.gz GLGCGYYKHHWCEA-KOLCDFICSA-N -1 3 367.431 2.574 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000463864831 515646373 /nfs/dbraw/zinc/64/63/73/515646373.db2.gz KEIMIMXTOURGIJ-LSDHHAIUSA-N -1 3 356.444 2.774 20 5 FFBDHM O=C(NCc1ncccc1[O-])c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000473640240 515700154 /nfs/dbraw/zinc/70/01/54/515700154.db2.gz SJIUZFDLZJQNOZ-UHFFFAOYSA-N -1 3 371.271 2.567 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000505929495 515726707 /nfs/dbraw/zinc/72/67/07/515726707.db2.gz DOCMPUOMVGAASJ-BBRMVZONSA-N -1 3 355.394 2.866 20 5 FFBDHM O=C(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000464188543 515734422 /nfs/dbraw/zinc/73/44/22/515734422.db2.gz VGVTZWIZXSQCJC-UHFFFAOYSA-N -1 3 368.798 2.551 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000474149127 515905139 /nfs/dbraw/zinc/90/51/39/515905139.db2.gz ZJCXALVFVJOKJO-GOSISDBHSA-N -1 3 354.366 2.570 20 5 FFBDHM O=C([N-]c1nnc(SCc2cccs2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000487566965 515907174 /nfs/dbraw/zinc/90/71/74/515907174.db2.gz DLRPBPSTFYOVAW-UHFFFAOYSA-N -1 3 368.425 2.776 20 5 FFBDHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc([N+](=O)[O-])c1)c2=O ZINC000507819370 516307205 /nfs/dbraw/zinc/30/72/05/516307205.db2.gz PKJPRVSPMFIHAF-UHFFFAOYSA-N -1 3 357.297 2.836 20 5 FFBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000535443389 516357791 /nfs/dbraw/zinc/35/77/91/516357791.db2.gz RBXJBZZGYIZGHK-SNVBAGLBSA-N -1 3 367.793 2.825 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CC(=O)NC3CCCC3)c2)n1 ZINC000543791139 516431063 /nfs/dbraw/zinc/43/10/63/516431063.db2.gz CSAVTHXTKPKZFC-UHFFFAOYSA-N -1 3 358.402 2.606 20 5 FFBDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000523622363 516521858 /nfs/dbraw/zinc/52/18/58/516521858.db2.gz BLMJQBRIXWEUNS-HNNXBMFYSA-N -1 3 369.487 2.836 20 5 FFBDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000540484260 516577274 /nfs/dbraw/zinc/57/72/74/516577274.db2.gz CEDJLEGVBNCNSU-MEDUHNTESA-N -1 3 368.386 2.788 20 5 FFBDHM O=C(NC1CCCC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000551396685 516692003 /nfs/dbraw/zinc/69/20/03/516692003.db2.gz WRCSNHJWYBXUNM-UHFFFAOYSA-N -1 3 370.365 2.620 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c1C ZINC000541311936 516981554 /nfs/dbraw/zinc/98/15/54/516981554.db2.gz BKGBVDJXWXQKFY-TZMCWYRMSA-N -1 3 356.444 2.695 20 5 FFBDHM CC(=O)Nc1sc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000559027407 517048448 /nfs/dbraw/zinc/04/84/48/517048448.db2.gz DMRRGEGOCNXEBK-UHFFFAOYSA-N -1 3 372.366 2.652 20 5 FFBDHM Cc1cc(=NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)[nH]n1[C@H](C)C1CC1 ZINC000541456837 517056686 /nfs/dbraw/zinc/05/66/86/517056686.db2.gz SHHMWGHTHLYVMX-SNVBAGLBSA-N -1 3 354.370 2.621 20 5 FFBDHM Cc1cc(=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)[nH]n1[C@H](C)C1CC1 ZINC000541456837 517056695 /nfs/dbraw/zinc/05/66/95/517056695.db2.gz SHHMWGHTHLYVMX-SNVBAGLBSA-N -1 3 354.370 2.621 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000525701976 517125125 /nfs/dbraw/zinc/12/51/25/517125125.db2.gz GCNMUSGENXPZMR-DLBZAZTESA-N -1 3 362.407 2.612 20 5 FFBDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000545386463 517213175 /nfs/dbraw/zinc/21/31/75/517213175.db2.gz SSIFJYPVBHXPBL-RISCZKNCSA-N -1 3 350.396 2.931 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)c1 ZINC000520028158 517261112 /nfs/dbraw/zinc/26/11/12/517261112.db2.gz ZVWWYDJTIPPYOM-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000515487325 517375972 /nfs/dbraw/zinc/37/59/72/517375972.db2.gz UNWUHDYRBQKSDY-ZYHUDNBSSA-N -1 3 353.806 2.653 20 5 FFBDHM COc1ccc(-c2ccc(CNCc3cnc(C)[n-]c3=O)o2)c([N+](=O)[O-])c1 ZINC000542309748 517498485 /nfs/dbraw/zinc/49/84/85/517498485.db2.gz FMBYKMYSHSETFZ-UHFFFAOYSA-N -1 3 370.365 2.957 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000546068229 517525907 /nfs/dbraw/zinc/52/59/07/517525907.db2.gz AJAQQMFFMLNQKD-HNNXBMFYSA-N -1 3 368.386 2.541 20 5 FFBDHM COc1cc2c(cc1F)[n-]cc(C(=O)NCc1ccc([N+](=O)[O-])cc1)c2=O ZINC000538314361 517559060 /nfs/dbraw/zinc/55/90/60/517559060.db2.gz DJZFGQQWYGTXLU-UHFFFAOYSA-N -1 3 371.324 2.514 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1[N-]c1cc2n(n1)CCCC2 ZINC000553389923 517685572 /nfs/dbraw/zinc/68/55/72/517685572.db2.gz OFNVQJWOFUINNU-UHFFFAOYSA-N -1 3 350.762 2.733 20 5 FFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(-c2ccccn2)no1 ZINC000534009763 517706529 /nfs/dbraw/zinc/70/65/29/517706529.db2.gz KSQOGZHQHLPYRH-UHFFFAOYSA-N -1 3 350.294 2.773 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000530729709 517947060 /nfs/dbraw/zinc/94/70/60/517947060.db2.gz IHSAFFFNCQVPDZ-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)c2ncccc2C)c([N+](=O)[O-])c1 ZINC000564404372 518436493 /nfs/dbraw/zinc/43/64/93/518436493.db2.gz VOMWAQMFLXCLNO-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000588132963 518733027 /nfs/dbraw/zinc/73/30/27/518733027.db2.gz CKDLXGXZOJCCSK-VIFPVBQESA-N -1 3 371.802 2.691 20 5 FFBDHM Cc1cc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565037984 518756507 /nfs/dbraw/zinc/75/65/07/518756507.db2.gz GXGSFMUCVCHKAY-KBPBESRZSA-N -1 3 365.430 2.903 20 5 FFBDHM CN(C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000580077981 518998315 /nfs/dbraw/zinc/99/83/15/518998315.db2.gz NESBSKMSYIGBAW-UHFFFAOYSA-N -1 3 355.822 2.900 20 5 FFBDHM C[C@H]1CN(CCCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000577518381 519120907 /nfs/dbraw/zinc/12/09/07/519120907.db2.gz UPXGOSFFIWLQCU-KBPBESRZSA-N -1 3 365.430 2.523 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000590588194 519276383 /nfs/dbraw/zinc/27/63/83/519276383.db2.gz GBYFMYYCCAUZIW-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000581143059 519544817 /nfs/dbraw/zinc/54/48/17/519544817.db2.gz YTKUJOCGBMCBDP-UHFFFAOYSA-N -1 3 374.312 2.609 20 5 FFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(CCCN2CCOCC2)CC1 ZINC000572345491 519566494 /nfs/dbraw/zinc/56/64/94/519566494.db2.gz NPBSXJJPEGHUFE-UHFFFAOYSA-N -1 3 363.458 2.625 20 5 FFBDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000581201003 519574219 /nfs/dbraw/zinc/57/42/19/519574219.db2.gz USOZBTGXNXCELS-KRWDZBQOSA-N -1 3 372.406 2.856 20 5 FFBDHM CC[C@H](CSC)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594773859 520149436 /nfs/dbraw/zinc/14/94/36/520149436.db2.gz UWKCGJAMCWSOIR-SNVBAGLBSA-N -1 3 355.441 2.563 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000594777776 520151869 /nfs/dbraw/zinc/15/18/69/520151869.db2.gz BROISMDAUQQLCQ-LLVKDONJSA-N -1 3 367.452 2.565 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c1 ZINC000594801770 520164838 /nfs/dbraw/zinc/16/48/38/520164838.db2.gz GISRCQJNHLUDTI-PRHODGIISA-N -1 3 361.217 2.578 20 5 FFBDHM CN1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000597710154 520189750 /nfs/dbraw/zinc/18/97/50/520189750.db2.gz ILNZIWHCPIYQQU-MRXNPFEDSA-N -1 3 353.806 2.512 20 5 FFBDHM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592111202 520190457 /nfs/dbraw/zinc/19/04/57/520190457.db2.gz JAFJBDFFGRULBY-CBAPKCEASA-N -1 3 370.374 2.786 20 5 FFBDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)CC1(F)F ZINC000594856523 520192166 /nfs/dbraw/zinc/19/21/66/520192166.db2.gz GUVVPVSBDIECOI-CQSZACIVSA-N -1 3 371.365 2.857 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2cccc(C)c2[N+](=O)[O-])[nH][n-]1 ZINC000609201594 520230158 /nfs/dbraw/zinc/23/01/58/520230158.db2.gz QLDQBYUSZHWLFA-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000597841542 520272195 /nfs/dbraw/zinc/27/21/95/520272195.db2.gz HSNWLWPZMAJPPO-GFCCVEGCSA-N -1 3 350.762 2.805 20 5 FFBDHM Cn1cnnc1Sc1ccc(C(=O)Nc2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000603482054 520276950 /nfs/dbraw/zinc/27/69/50/520276950.db2.gz AWHBMNCHTLADRP-UHFFFAOYSA-N -1 3 371.378 2.832 20 5 FFBDHM CN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000603955911 520414536 /nfs/dbraw/zinc/41/45/36/520414536.db2.gz FTLUHTDNRQZDTP-UHFFFAOYSA-N -1 3 367.402 2.539 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c(F)c1 ZINC000609802341 520439572 /nfs/dbraw/zinc/43/95/72/520439572.db2.gz STMSLSKHONBBFR-GFCCVEGCSA-N -1 3 354.384 2.859 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)O)c1[N+](=O)[O-] ZINC000595406976 520450140 /nfs/dbraw/zinc/45/01/40/520450140.db2.gz LSCGYJVHIWEALQ-ZFWWWQNUSA-N -1 3 364.423 2.612 20 5 FFBDHM COCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000604199573 520483271 /nfs/dbraw/zinc/48/32/71/520483271.db2.gz QCEVQRJKNLWKOB-UHFFFAOYSA-N -1 3 367.745 2.626 20 5 FFBDHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000598195831 520487835 /nfs/dbraw/zinc/48/78/35/520487835.db2.gz UHBXDUMVTXMFPS-MRXNPFEDSA-N -1 3 369.421 2.689 20 5 FFBDHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610086958 520535336 /nfs/dbraw/zinc/53/53/36/520535336.db2.gz HMVONAAYQDWLPY-VIFPVBQESA-N -1 3 365.249 2.928 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])cc1C ZINC000598323400 520557318 /nfs/dbraw/zinc/55/73/18/520557318.db2.gz POQDEVXELILDDB-UHFFFAOYSA-N -1 3 352.372 2.679 20 5 FFBDHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610265753 520610822 /nfs/dbraw/zinc/61/08/22/520610822.db2.gz ZMLWYTXUBGAECH-HOTGVXAUSA-N -1 3 350.371 2.742 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@]1(C)c1ccccc1 ZINC000610265340 520611042 /nfs/dbraw/zinc/61/10/42/520611042.db2.gz BPDBQAHWFNJOKM-DLBZAZTESA-N -1 3 362.407 2.612 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)c1ccccc1 ZINC000610265368 520611539 /nfs/dbraw/zinc/61/15/39/520611539.db2.gz FWJBUPIEPXTBGJ-IAGOWNOFSA-N -1 3 362.407 2.612 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2cc(C)ccc2[N+](=O)[O-])[nH][n-]1 ZINC000610337553 520640344 /nfs/dbraw/zinc/64/03/44/520640344.db2.gz IDYPZIATIDXYOW-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM Cc1ccccc1CN1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000592968679 520664951 /nfs/dbraw/zinc/66/49/51/520664951.db2.gz ANLHWURBMKGOCO-UHFFFAOYSA-N -1 3 370.409 2.709 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601383471 520768140 /nfs/dbraw/zinc/76/81/40/520768140.db2.gz QLQMXWBADHFKLG-CMPLNLGQSA-N -1 3 362.473 2.837 20 5 FFBDHM O=c1[n-]ccc(NC[C@H](O)COc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000596089029 520905959 /nfs/dbraw/zinc/90/59/59/520905959.db2.gz RFLCQQDGOYXVBW-JTQLQIEISA-N -1 3 373.287 2.566 20 5 FFBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610955532 520920141 /nfs/dbraw/zinc/92/01/41/520920141.db2.gz AZWACFLYWOXOJM-MRVPVSSYSA-N -1 3 351.222 2.824 20 5 FFBDHM Cc1c2occ([O-])c2ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000601924509 521028780 /nfs/dbraw/zinc/02/87/80/521028780.db2.gz ABURTNVVRAFIPH-UHFFFAOYSA-N -1 3 357.318 2.924 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c1C ZINC000593631995 521119880 /nfs/dbraw/zinc/11/98/80/521119880.db2.gz PKGMAIXVLPCGSQ-MRXNPFEDSA-N -1 3 368.455 2.695 20 5 FFBDHM CC(C)(C)n1nnc(C(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000597179662 521558987 /nfs/dbraw/zinc/55/89/87/521558987.db2.gz IHQTULAULJCUKN-UHFFFAOYSA-N -1 3 373.398 2.712 20 5 FFBDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619481610 521591302 /nfs/dbraw/zinc/59/13/02/521591302.db2.gz LNBQCOYKYYHYFA-AWEZNQCLSA-N -1 3 364.423 2.903 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1c(C)noc1C ZINC000619493682 521596042 /nfs/dbraw/zinc/59/60/42/521596042.db2.gz COVWBORBUQFJBS-LLVKDONJSA-N -1 3 369.399 2.638 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000619714581 521835167 /nfs/dbraw/zinc/83/51/67/521835167.db2.gz ZIBSIWNTODONOA-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM COc1cc(C)cnc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000489004935 561401481 /nfs/dbraw/zinc/40/14/81/561401481.db2.gz CSEMICLNBWNGQH-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](Oc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738368961 598831032 /nfs/dbraw/zinc/83/10/32/598831032.db2.gz GPVILAHJMBVKPI-HNNXBMFYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](Oc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738368961 598831033 /nfs/dbraw/zinc/83/10/33/598831033.db2.gz GPVILAHJMBVKPI-HNNXBMFYSA-N -1 3 366.381 2.823 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000737288629 598832254 /nfs/dbraw/zinc/83/22/54/598832254.db2.gz MAQAYTOLXOLMFE-UHFFFAOYSA-N -1 3 366.381 3.000 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000737288629 598832257 /nfs/dbraw/zinc/83/22/57/598832257.db2.gz MAQAYTOLXOLMFE-UHFFFAOYSA-N -1 3 366.381 3.000 20 5 FFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000821110247 607305352 /nfs/dbraw/zinc/30/53/52/607305352.db2.gz YPVRQWSIHPSPFE-UHFFFAOYSA-N -1 3 353.386 2.895 20 5 FFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000821110247 607305353 /nfs/dbraw/zinc/30/53/53/607305353.db2.gz YPVRQWSIHPSPFE-UHFFFAOYSA-N -1 3 353.386 2.895 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737373294 598322023 /nfs/dbraw/zinc/32/20/23/598322023.db2.gz SYNNPTBKZCUQRC-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737373294 598322025 /nfs/dbraw/zinc/32/20/25/598322025.db2.gz SYNNPTBKZCUQRC-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1c(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000737218947 598322476 /nfs/dbraw/zinc/32/24/76/598322476.db2.gz NIPPYZHKEQKHPY-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1c(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000737218947 598322479 /nfs/dbraw/zinc/32/24/79/598322479.db2.gz NIPPYZHKEQKHPY-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM CNc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736885763 598489729 /nfs/dbraw/zinc/48/97/29/598489729.db2.gz DFQHBFUOXZNZKO-JTQLQIEISA-N -1 3 368.353 2.735 20 5 FFBDHM CNc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736885763 598489730 /nfs/dbraw/zinc/48/97/30/598489730.db2.gz DFQHBFUOXZNZKO-JTQLQIEISA-N -1 3 368.353 2.735 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737293304 598656004 /nfs/dbraw/zinc/65/60/04/598656004.db2.gz AXMIHDUOQSJRBH-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000737293304 598656006 /nfs/dbraw/zinc/65/60/06/598656006.db2.gz AXMIHDUOQSJRBH-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000738371632 598756608 /nfs/dbraw/zinc/75/66/08/598756608.db2.gz VIHOYDPLGHWOEW-UHFFFAOYSA-N -1 3 372.410 2.884 20 5 FFBDHM Cc1cccc(OCCN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822327569 599339724 /nfs/dbraw/zinc/33/97/24/599339724.db2.gz IHRMKFORWAJKNG-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1cccc(OCCN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822327569 599339729 /nfs/dbraw/zinc/33/97/29/599339729.db2.gz IHRMKFORWAJKNG-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737262335 599342223 /nfs/dbraw/zinc/34/22/23/599342223.db2.gz DPOCHRFGXGPAKQ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737262335 599342225 /nfs/dbraw/zinc/34/22/25/599342225.db2.gz DPOCHRFGXGPAKQ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212846 599526915 /nfs/dbraw/zinc/52/69/15/599526915.db2.gz JPPYCILYGPYXGG-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212846 599526918 /nfs/dbraw/zinc/52/69/18/599526918.db2.gz JPPYCILYGPYXGG-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820396385 599544680 /nfs/dbraw/zinc/54/46/80/599544680.db2.gz FUYADWHAFFPPKY-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820396385 599544682 /nfs/dbraw/zinc/54/46/82/599544682.db2.gz FUYADWHAFFPPKY-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM Cc1c(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000826236564 607428806 /nfs/dbraw/zinc/42/88/06/607428806.db2.gz RQDPSISTMWXNIJ-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1c(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000826236564 607428807 /nfs/dbraw/zinc/42/88/07/607428807.db2.gz RQDPSISTMWXNIJ-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826247265 607702503 /nfs/dbraw/zinc/70/25/03/607702503.db2.gz YEVCTOZTPKPTRD-LBPRGKRZSA-N -1 3 366.381 2.883 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826247265 607702505 /nfs/dbraw/zinc/70/25/05/607702505.db2.gz YEVCTOZTPKPTRD-LBPRGKRZSA-N -1 3 366.381 2.883 20 5 FFBDHM CCOc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821400398 606059512 /nfs/dbraw/zinc/05/95/12/606059512.db2.gz IXLPEOFZMRWPCE-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM CCOc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821400398 606059516 /nfs/dbraw/zinc/05/95/16/606059516.db2.gz IXLPEOFZMRWPCE-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508502 606354756 /nfs/dbraw/zinc/35/47/56/606354756.db2.gz QJJXGHWRPLKOCL-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508502 606354757 /nfs/dbraw/zinc/35/47/57/606354757.db2.gz QJJXGHWRPLKOCL-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574776 606414471 /nfs/dbraw/zinc/41/44/71/606414471.db2.gz WPBUKQWPECJRHL-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574776 606414472 /nfs/dbraw/zinc/41/44/72/606414472.db2.gz WPBUKQWPECJRHL-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1c(F)c(F)cc(F)c1F ZINC000823629993 606431882 /nfs/dbraw/zinc/43/18/82/606431882.db2.gz OXIWPRZOEKTYEO-UHFFFAOYSA-N -1 3 368.250 2.943 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1c(F)c(F)cc(F)c1F ZINC000823629993 606431883 /nfs/dbraw/zinc/43/18/83/606431883.db2.gz OXIWPRZOEKTYEO-UHFFFAOYSA-N -1 3 368.250 2.943 20 5 FFBDHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919315 606588404 /nfs/dbraw/zinc/58/84/04/606588404.db2.gz BMZASOGEIFJFHR-OAHLLOKOSA-N -1 3 352.354 2.656 20 5 FFBDHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820919315 606588405 /nfs/dbraw/zinc/58/84/05/606588405.db2.gz BMZASOGEIFJFHR-OAHLLOKOSA-N -1 3 352.354 2.656 20 5 FFBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823357398 606622987 /nfs/dbraw/zinc/62/29/87/606622987.db2.gz UGTPZOTYXJCYFM-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823357398 606622989 /nfs/dbraw/zinc/62/29/89/606622989.db2.gz UGTPZOTYXJCYFM-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM Cc1ccc([C@@H](C)OC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822230297 606623141 /nfs/dbraw/zinc/62/31/41/606623141.db2.gz BPHVCLJBWABADS-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1ccc([C@@H](C)OC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822230297 606623143 /nfs/dbraw/zinc/62/31/43/606623143.db2.gz BPHVCLJBWABADS-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1nc2ccccc2n1CCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822462086 606644943 /nfs/dbraw/zinc/64/49/43/606644943.db2.gz DTRXXJQZGGOUSX-UHFFFAOYSA-N -1 3 364.369 2.545 20 5 FFBDHM Cc1nc2ccccc2n1CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822462086 606644944 /nfs/dbraw/zinc/64/49/44/606644944.db2.gz DTRXXJQZGGOUSX-UHFFFAOYSA-N -1 3 364.369 2.545 20 5 FFBDHM CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nnn[n-]1 ZINC000821570985 606975037 /nfs/dbraw/zinc/97/50/37/606975037.db2.gz USTNPBNBJDKCIC-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM CN(C(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccccc1-c1nn[n-]n1 ZINC000821570985 606975039 /nfs/dbraw/zinc/97/50/39/606975039.db2.gz USTNPBNBJDKCIC-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM Cc1nn(Cc2cn3ccccc3c2-c2nnn[n-]2)c2ccc([N+](=O)[O-])cc12 ZINC000822505545 606984527 /nfs/dbraw/zinc/98/45/27/606984527.db2.gz NPISVDVBTQLEPR-UHFFFAOYSA-N -1 3 374.364 2.734 20 5 FFBDHM Cc1nn(Cc2cn3ccccc3c2-c2nn[n-]n2)c2ccc([N+](=O)[O-])cc12 ZINC000822505545 606984529 /nfs/dbraw/zinc/98/45/29/606984529.db2.gz NPISVDVBTQLEPR-UHFFFAOYSA-N -1 3 374.364 2.734 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820232501 607041381 /nfs/dbraw/zinc/04/13/81/607041381.db2.gz GOOWZCODYAVFPZ-HWPZZCPQSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820232501 607041383 /nfs/dbraw/zinc/04/13/83/607041383.db2.gz GOOWZCODYAVFPZ-HWPZZCPQSA-N -1 3 372.360 2.838 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000821305130 607099752 /nfs/dbraw/zinc/09/97/52/607099752.db2.gz YHNDYWVPBMQZQD-UHFFFAOYSA-N -1 3 367.369 2.767 20 5 FFBDHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000820636549 607116120 /nfs/dbraw/zinc/11/61/20/607116120.db2.gz UDKMPIBLSGPKPK-GOSISDBHSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000820636549 607116122 /nfs/dbraw/zinc/11/61/22/607116122.db2.gz UDKMPIBLSGPKPK-GOSISDBHSA-N -1 3 366.381 2.527 20 5 FFBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380864 607800228 /nfs/dbraw/zinc/80/02/28/607800228.db2.gz WDDUVJPBLYTPQY-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCN(C(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380864 607800229 /nfs/dbraw/zinc/80/02/29/607800229.db2.gz WDDUVJPBLYTPQY-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCC(CC)(CO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825090083 607810098 /nfs/dbraw/zinc/81/00/98/607810098.db2.gz SLHKEYNKJLRHMY-UHFFFAOYSA-N -1 3 371.401 2.534 20 5 FFBDHM CCC(CC)(CO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825090083 607810099 /nfs/dbraw/zinc/81/00/99/607810099.db2.gz SLHKEYNKJLRHMY-UHFFFAOYSA-N -1 3 371.401 2.534 20 5 FFBDHM CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(-c2nnn[n-]2)c1 ZINC000825825968 608106509 /nfs/dbraw/zinc/10/65/09/608106509.db2.gz QCPXECOAEGNLBJ-UHFFFAOYSA-N -1 3 363.337 2.533 20 5 FFBDHM CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1cccc(-c2nn[n-]n2)c1 ZINC000825825968 608106510 /nfs/dbraw/zinc/10/65/10/608106510.db2.gz QCPXECOAEGNLBJ-UHFFFAOYSA-N -1 3 363.337 2.533 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CC12CCCC2 ZINC000826450550 608164053 /nfs/dbraw/zinc/16/40/53/608164053.db2.gz QXXHJIRSFKBQSO-SECBINFHSA-N -1 3 362.777 2.947 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CC12CCCC2 ZINC000826450550 608164055 /nfs/dbraw/zinc/16/40/55/608164055.db2.gz QXXHJIRSFKBQSO-SECBINFHSA-N -1 3 362.777 2.947 20 5 FFBDHM CCCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825291011 608164380 /nfs/dbraw/zinc/16/43/80/608164380.db2.gz LMIBWBNPBLUJLE-MRVPVSSYSA-N -1 3 368.781 2.572 20 5 FFBDHM CCCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825291011 608164381 /nfs/dbraw/zinc/16/43/81/608164381.db2.gz LMIBWBNPBLUJLE-MRVPVSSYSA-N -1 3 368.781 2.572 20 5 FFBDHM C[C@@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884522 608195544 /nfs/dbraw/zinc/19/55/44/608195544.db2.gz OCJRNJZWUOZBDN-MNOVXSKESA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884522 608195545 /nfs/dbraw/zinc/19/55/45/608195545.db2.gz OCJRNJZWUOZBDN-MNOVXSKESA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000824648444 608415903 /nfs/dbraw/zinc/41/59/03/608415903.db2.gz GMALBRIXQILWCF-SECBINFHSA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000824648444 608415904 /nfs/dbraw/zinc/41/59/04/608415904.db2.gz GMALBRIXQILWCF-SECBINFHSA-N -1 3 355.314 2.856 20 5 FFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826451679 608574291 /nfs/dbraw/zinc/57/42/91/608574291.db2.gz QSYPGVCLAQPTEI-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826451679 608574293 /nfs/dbraw/zinc/57/42/93/608574293.db2.gz QSYPGVCLAQPTEI-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000826421058 608817555 /nfs/dbraw/zinc/81/75/55/608817555.db2.gz PTHIDWTZLJMJPU-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000826421058 608817557 /nfs/dbraw/zinc/81/75/57/608817557.db2.gz PTHIDWTZLJMJPU-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccccc1-c1nnn[n-]1 ZINC000826420954 608817774 /nfs/dbraw/zinc/81/77/74/608817774.db2.gz KTMXUDKGNUBNPG-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccccc1-c1nn[n-]n1 ZINC000826420954 608817775 /nfs/dbraw/zinc/81/77/75/608817775.db2.gz KTMXUDKGNUBNPG-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM CC1CCC2(CC1)OC[C@@H](CNc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])O2 ZINC000824919159 609172603 /nfs/dbraw/zinc/17/26/03/609172603.db2.gz SEIDVLHLDVBUNW-OFKYTCTHSA-N -1 3 374.401 2.509 20 5 FFBDHM CC1CCC2(CC1)OC[C@@H](CNc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])O2 ZINC000824919159 609172604 /nfs/dbraw/zinc/17/26/04/609172604.db2.gz SEIDVLHLDVBUNW-OFKYTCTHSA-N -1 3 374.401 2.509 20 5 FFBDHM Cc1c(Cl)cnc(N2CCc3c(cccc3[N+](=O)[O-])C2)c1-c1nnn[n-]1 ZINC000826238847 609582880 /nfs/dbraw/zinc/58/28/80/609582880.db2.gz QTZLRQYJJYLVEJ-UHFFFAOYSA-N -1 3 371.788 2.694 20 5 FFBDHM Cc1c(Cl)cnc(N2CCc3c(cccc3[N+](=O)[O-])C2)c1-c1nn[n-]n1 ZINC000826238847 609582882 /nfs/dbraw/zinc/58/28/82/609582882.db2.gz QTZLRQYJJYLVEJ-UHFFFAOYSA-N -1 3 371.788 2.694 20 5 FFBDHM COc1ccc2c(c1)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000826212170 609590416 /nfs/dbraw/zinc/59/04/16/609590416.db2.gz IMNOAYXOZDMXHK-CYBMUJFWSA-N -1 3 366.381 2.753 20 5 FFBDHM COc1ccc2c(c1)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000826212170 609590419 /nfs/dbraw/zinc/59/04/19/609590419.db2.gz IMNOAYXOZDMXHK-CYBMUJFWSA-N -1 3 366.381 2.753 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000826465301 609616143 /nfs/dbraw/zinc/61/61/43/609616143.db2.gz HJHRECCUYSOAFD-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000826465301 609616145 /nfs/dbraw/zinc/61/61/45/609616145.db2.gz HJHRECCUYSOAFD-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180107468 729203860 /nfs/dbraw/zinc/20/38/60/729203860.db2.gz ZLDXYISSCBOAFM-UHFFFAOYSA-N -1 3 371.390 2.634 20 5 FFBDHM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000180339452 729211731 /nfs/dbraw/zinc/21/17/31/729211731.db2.gz LWEDMHNETJTZDN-UHFFFAOYSA-N -1 3 365.367 2.796 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000882757489 733287741 /nfs/dbraw/zinc/28/77/41/733287741.db2.gz HYNLXQODWSWOJQ-ZWNOBZJWSA-N -1 3 362.835 2.732 20 5 FFBDHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000731915959 734705430 /nfs/dbraw/zinc/70/54/30/734705430.db2.gz OWBIKKIOTQDTMX-QMMMGPOBSA-N -1 3 365.729 2.533 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)c1 ZINC000783835408 738840741 /nfs/dbraw/zinc/84/07/41/738840741.db2.gz LJWSFBCWEYQRCK-UHFFFAOYSA-N -1 3 357.775 2.766 20 5 FFBDHM O=c1cc([C@H]2CCN(c3cccc(Br)c3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894375561 734848072 /nfs/dbraw/zinc/84/80/72/734848072.db2.gz QSBDFEYMKQFFQY-QMMMGPOBSA-N -1 3 353.176 2.780 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000742703381 735250301 /nfs/dbraw/zinc/25/03/01/735250301.db2.gz JIPUDBIJSUIYFP-LLVKDONJSA-N -1 3 364.379 2.884 20 5 FFBDHM Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cs1 ZINC000752234868 735969475 /nfs/dbraw/zinc/96/94/75/735969475.db2.gz MWVFKZJZBFEAGN-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM O=C([O-])[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000903607315 736122748 /nfs/dbraw/zinc/12/27/48/736122748.db2.gz RDDIQGDSEJAPSK-LSDHHAIUSA-N -1 3 361.785 2.943 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccccc2)c(Cl)c1 ZINC000760597487 736653888 /nfs/dbraw/zinc/65/38/88/736653888.db2.gz SEENRVKUVLLACW-UHFFFAOYSA-N -1 3 355.803 2.639 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000921646964 738017931 /nfs/dbraw/zinc/01/79/31/738017931.db2.gz IWJSIOJLXYWNAH-IUODEOHRSA-N -1 3 368.361 2.922 20 5 FFBDHM O=c1ccnc(C=Cc2cc(I)cc([N+](=O)[O-])c2)[n-]1 ZINC000811690669 741548604 /nfs/dbraw/zinc/54/86/04/741548604.db2.gz DMOXYTCKVPIRMC-OWOJBTEDSA-N -1 3 369.118 2.865 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC=CO1 ZINC000841516304 747379690 /nfs/dbraw/zinc/37/96/90/747379690.db2.gz XACPZCWSGPAZDH-JTQLQIEISA-N -1 3 366.317 2.585 20 5 FFBDHM Nc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000176432081 845710110 /nfs/dbraw/zinc/71/01/10/845710110.db2.gz AROHNLKDNYIVPI-UHFFFAOYSA-N -1 3 352.144 2.897 20 5 FFBDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001573554450 946900438 /nfs/dbraw/zinc/90/04/38/946900438.db2.gz UJQZXFILKZKAAB-UHFFFAOYSA-N -1 3 366.337 2.538 20 5 FFBDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC001573554450 946900445 /nfs/dbraw/zinc/90/04/45/946900445.db2.gz UJQZXFILKZKAAB-UHFFFAOYSA-N -1 3 366.337 2.538 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](COc2ccccc2)C1 ZINC000826497607 948411722 /nfs/dbraw/zinc/41/17/22/948411722.db2.gz NDLHCXQQBAULGW-ZDUSSCGKSA-N -1 3 366.381 2.680 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](COc2ccccc2)C1 ZINC000826497607 948411727 /nfs/dbraw/zinc/41/17/27/948411727.db2.gz NDLHCXQQBAULGW-ZDUSSCGKSA-N -1 3 366.381 2.680 20 5 FFBDHM O=[N+]([O-])c1cccc2c1ccn2CCOc1cccc(-c2nnn[n-]2)c1 ZINC000826499959 948415752 /nfs/dbraw/zinc/41/57/52/948415752.db2.gz GEJWONZKUFIDRY-UHFFFAOYSA-N -1 3 350.338 2.809 20 5 FFBDHM O=[N+]([O-])c1cccc2c1ccn2CCOc1cccc(-c2nn[n-]n2)c1 ZINC000826499959 948415755 /nfs/dbraw/zinc/41/57/55/948415755.db2.gz GEJWONZKUFIDRY-UHFFFAOYSA-N -1 3 350.338 2.809 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c([O-])c1 ZINC000760209454 980374597 /nfs/dbraw/zinc/37/45/97/980374597.db2.gz OGRMFOXZPPJGDH-UHFFFAOYSA-N -1 3 373.365 2.795 20 5 FFBDHM CCO[C@H]1C[C@](NCc2cc([N+](=O)[O-])ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596839529 985519499 /nfs/dbraw/zinc/51/94/99/985519499.db2.gz UBLGKPUGNYUTKX-BBRMVZONSA-N -1 3 356.806 2.996 20 5 FFBDHM CN(C)[C@@H]1CCOc2c(Nc3nccc(C(=O)[O-])c3[N+](=O)[O-])cccc21 ZINC001598193958 990797832 /nfs/dbraw/zinc/79/78/32/990797832.db2.gz QFPJONXFFWSYSC-CYBMUJFWSA-N -1 3 358.354 2.817 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)n1 ZINC001144392694 998440164 /nfs/dbraw/zinc/44/01/64/998440164.db2.gz MSAFLTUIFYRWDT-UHFFFAOYSA-N -1 3 355.354 2.545 20 5 FFBDHM COc1ccc(CC(=O)[N-]OCc2c(F)cccc2[N+](=O)[O-])cc1OC ZINC000732806818 998783358 /nfs/dbraw/zinc/78/33/58/998783358.db2.gz XOPDVXYACAVZDG-UHFFFAOYSA-N -1 3 364.329 2.542 20 5 FFBDHM COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)c([N+](=O)[O-])c1 ZINC000786029328 1001513418 /nfs/dbraw/zinc/51/34/18/1001513418.db2.gz MHBKMEYBQUOQIS-SECBINFHSA-N -1 3 373.321 2.862 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOCC12CCCC2 ZINC001196072177 1003661069 /nfs/dbraw/zinc/66/10/69/1003661069.db2.gz ZUWAUNRPLDHPDS-CQSZACIVSA-N -1 3 374.846 2.876 20 5 FFBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cnn[n-]2)cc1OC ZINC000805608205 1004087186 /nfs/dbraw/zinc/08/71/86/1004087186.db2.gz ARONIYHRFCSSGC-JTQLQIEISA-N -1 3 364.358 2.503 20 5 FFBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2c[n-]nn2)cc1OC ZINC000805608205 1004087197 /nfs/dbraw/zinc/08/71/97/1004087197.db2.gz ARONIYHRFCSSGC-JTQLQIEISA-N -1 3 364.358 2.503 20 5 FFBDHM C[C@@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)C[C@@H](C)O1 ZINC000747473971 1004791919 /nfs/dbraw/zinc/79/19/19/1004791919.db2.gz BNVLMOQAJPNUCS-VXGBXAGGSA-N -1 3 372.381 2.561 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(OCCN3CCOCC3)cc2)c1 ZINC001201223493 1005186956 /nfs/dbraw/zinc/18/69/56/1005186956.db2.gz ZOBPXAAREQJQGE-UHFFFAOYSA-N -1 3 359.382 2.755 20 5 FFBDHM 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XNHXSBBDXAKNKC-UHFFFAOYSA-N -1 3 369.333 2.945 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661105 1034355805 /nfs/dbraw/zinc/35/58/05/1034355805.db2.gz JCNBIXUNCSLADC-ZYHUDNBSSA-N -1 3 371.365 2.812 20 5 FFBDHM CS(=O)(=O)C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC001225667087 1034359057 /nfs/dbraw/zinc/35/90/57/1034359057.db2.gz PBMPCVXTDYPVEL-LBPRGKRZSA-N -1 3 372.786 2.514 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667318 1034359408 /nfs/dbraw/zinc/35/94/08/1034359408.db2.gz REAHVNANYTWIHL-BVUQATHDSA-N -1 3 365.386 2.720 20 5 FFBDHM O=[N+]([O-])c1c(F)cccc1N1CCC(Oc2ccnc(=S)[n-]2)CC1 ZINC001226941390 1034889163 /nfs/dbraw/zinc/88/91/63/1034889163.db2.gz CCQSRYMGGIBLJX-UHFFFAOYSA-N -1 3 350.375 2.860 20 5 FFBDHM CCCCOC[C@H](C)OC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690211 1035676058 /nfs/dbraw/zinc/67/60/58/1035676058.db2.gz HEMZUGFTEQMPBA-NWDGAFQWSA-N -1 3 352.391 2.855 20 5 FFBDHM C[C@@H]1C[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CN1C(=O)OC(C)(C)C ZINC001227693058 1035677572 /nfs/dbraw/zinc/67/75/72/1035677572.db2.gz JRHSYUWSVHDFTJ-NXEZZACHSA-N -1 3 363.374 2.643 20 5 FFBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693241 1035678153 /nfs/dbraw/zinc/67/81/53/1035678153.db2.gz PXRUOOBELIESJS-KOLCDFICSA-N -1 3 363.374 2.500 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228687606 1036258210 /nfs/dbraw/zinc/25/82/10/1036258210.db2.gz ZAKGERUAWOFHCZ-LLVKDONJSA-N -1 3 353.375 2.782 20 5 FFBDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001228714012 1036282011 /nfs/dbraw/zinc/28/20/11/1036282011.db2.gz OYXZRSXPTXHMAP-JTQLQIEISA-N -1 3 363.395 2.919 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1F ZINC001209232001 1038725071 /nfs/dbraw/zinc/72/50/71/1038725071.db2.gz XIWIFXYLOSBYDW-UHFFFAOYSA-N -1 3 374.415 2.633 20 5 FFBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1cccc([N+](=O)[O-])c1F)OCC ZINC001210381065 1039512665 /nfs/dbraw/zinc/51/26/65/1039512665.db2.gz GMYAGIXIFNQQSQ-UHFFFAOYSA-N -1 3 366.349 2.915 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC001213229231 1040354616 /nfs/dbraw/zinc/35/46/16/1040354616.db2.gz ZAMPAKFJJKWWLD-ZDUSSCGKSA-N -1 3 362.835 2.732 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@H]1CCOC1 ZINC001213450551 1040563719 /nfs/dbraw/zinc/56/37/19/1040563719.db2.gz CFVOBISEWMUBHA-XHDPSFHLSA-N -1 3 374.846 2.732 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC(C)(C)CO2)c(F)cc1[N+](=O)[O-] ZINC001213682289 1040789485 /nfs/dbraw/zinc/78/94/85/1040789485.db2.gz FRXBZMNZUGLRKW-NSHDSACASA-N -1 3 360.407 2.526 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC(C)(C)CO2)c(F)cc1[N+](=O)[O-] ZINC001213682288 1040789677 /nfs/dbraw/zinc/78/96/77/1040789677.db2.gz FRXBZMNZUGLRKW-LLVKDONJSA-N -1 3 360.407 2.526 20 5 FFBDHM C[S@@](=O)(=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC001538080529 1070336128 /nfs/dbraw/zinc/33/61/28/1070336128.db2.gz UPXIWSAPPBXDEC-VWLOTQADSA-N -1 3 362.342 2.907 20 5 FFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001309918011 1043588778 /nfs/dbraw/zinc/58/87/78/1043588778.db2.gz SADBEJWTFZXVRA-WCBMZHEXSA-N -1 3 350.849 2.811 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cnn(C)c3)ns2)c1C ZINC001539662254 1070676185 /nfs/dbraw/zinc/67/61/85/1070676185.db2.gz XYLJTVLHXGUZJY-UHFFFAOYSA-N -1 3 358.383 2.716 20 5 FFBDHM C[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc(C(F)(F)F)n[n-]1 ZINC001304131383 1051549752 /nfs/dbraw/zinc/54/97/52/1051549752.db2.gz HXJRVBGLDJWLGH-ZCFIWIBFSA-N -1 3 368.275 2.704 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001309233031 1052579820 /nfs/dbraw/zinc/57/98/20/1052579820.db2.gz MJVQIYSPFAVNON-GFCCVEGCSA-N -1 3 374.415 2.770 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])s1 ZINC001309381713 1052609318 /nfs/dbraw/zinc/60/93/18/1052609318.db2.gz OWWYWUNABTVCOD-VXGBXAGGSA-N -1 3 362.473 2.835 20 5 FFBDHM CC(C)(C)OC(=O)NCC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001347238170 1053746250 /nfs/dbraw/zinc/74/62/50/1053746250.db2.gz OYQRVNRJDPLXQZ-GFCCVEGCSA-N -1 3 366.418 2.827 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001544996467 1071720060 /nfs/dbraw/zinc/72/00/60/1071720060.db2.gz LZPPGDPKZAABGZ-SNVBAGLBSA-N -1 3 360.395 2.550 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)c([N+](=O)[O-])s1 ZINC001475539806 1061131474 /nfs/dbraw/zinc/13/14/74/1061131474.db2.gz LMJRCIYQPNYMFD-DGCLKSJQSA-N -1 3 360.457 2.591 20 5 FFBDHM COc1ccc(CCC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1 ZINC001462893278 1061826737 /nfs/dbraw/zinc/82/67/37/1061826737.db2.gz KGFIQMILQBOYHA-UHFFFAOYSA-N -1 3 370.452 2.884 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c([N+](=O)[O-])s1 ZINC001463372561 1062074034 /nfs/dbraw/zinc/07/40/34/1062074034.db2.gz BWXAORYXUNPRBQ-UHFFFAOYSA-N -1 3 359.454 2.777 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCSC(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001463379889 1062077238 /nfs/dbraw/zinc/07/72/38/1062077238.db2.gz SKNHDWMLAITKED-UHFFFAOYSA-N -1 3 350.437 2.852 20 5 FFBDHM Cc1nc(C)c(CCC(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001437522568 1062870990 /nfs/dbraw/zinc/87/09/90/1062870990.db2.gz HCJOQYOZMNGNRB-UHFFFAOYSA-N -1 3 367.365 2.827 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001442674498 1063555443 /nfs/dbraw/zinc/55/54/43/1063555443.db2.gz IEFLZRKHSZURKF-GJZGRUSLSA-N -1 3 350.338 2.517 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001442674498 1063555462 /nfs/dbraw/zinc/55/54/62/1063555462.db2.gz IEFLZRKHSZURKF-GJZGRUSLSA-N -1 3 350.338 2.517 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ncnc2sccc21 ZINC001472503879 1065082874 /nfs/dbraw/zinc/08/28/74/1065082874.db2.gz HLTPZJJMCDLWQJ-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cc(=O)[n-]c(C2CC2)n1 ZINC001472589372 1065106195 /nfs/dbraw/zinc/10/61/95/1065106195.db2.gz UNZYFNOYHFBVEC-UHFFFAOYSA-N -1 3 351.322 2.768 20 5 FFBDHM COc1cc(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c([N+](=O)[O-])cc1[O-] ZINC001474250104 1065478302 /nfs/dbraw/zinc/47/83/02/1065478302.db2.gz HIUFHCPBYRYACX-GOSISDBHSA-N -1 3 373.365 2.876 20 5 FFBDHM Cc1cc(F)cc2c1CN(c1cc(F)c(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC001580937900 1078896361 /nfs/dbraw/zinc/89/63/61/1078896361.db2.gz MXFSOGPGZQDUCU-UHFFFAOYSA-N -1 3 372.335 2.924 20 5 FFBDHM Cc1cc(F)cc2c1CN(c1cc(F)c(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC001580937900 1078896370 /nfs/dbraw/zinc/89/63/70/1078896370.db2.gz MXFSOGPGZQDUCU-UHFFFAOYSA-N -1 3 372.335 2.924 20 5 FFBDHM Cc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)ncc1-c1nnn[n-]1 ZINC001580983915 1078902744 /nfs/dbraw/zinc/90/27/44/1078902744.db2.gz HUUNNLYRJKOWHW-UHFFFAOYSA-N -1 3 367.369 2.656 20 5 FFBDHM Cc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)ncc1-c1nn[n-]n1 ZINC001580983915 1078902747 /nfs/dbraw/zinc/90/27/47/1078902747.db2.gz HUUNNLYRJKOWHW-UHFFFAOYSA-N -1 3 367.369 2.656 20 5 FFBDHM Cc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001581172502 1078928808 /nfs/dbraw/zinc/92/88/08/1078928808.db2.gz TUYPHNDBLWMJNZ-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001581172502 1078928813 /nfs/dbraw/zinc/92/88/13/1078928813.db2.gz TUYPHNDBLWMJNZ-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3c2cccc3-c2nnn[n-]2)c1C ZINC001581213689 1078940464 /nfs/dbraw/zinc/94/04/64/1078940464.db2.gz GENKKCXXGGIADQ-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCc3c2cccc3-c2nn[n-]n2)c1C ZINC001581213689 1078940471 /nfs/dbraw/zinc/94/04/71/1078940471.db2.gz GENKKCXXGGIADQ-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001582150761 1079030075 /nfs/dbraw/zinc/03/00/75/1079030075.db2.gz SFBWJLZAMHEWGC-UHFFFAOYSA-N -1 3 364.365 2.834 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001582150761 1079030081 /nfs/dbraw/zinc/03/00/81/1079030081.db2.gz SFBWJLZAMHEWGC-UHFFFAOYSA-N -1 3 364.365 2.834 20 5 FFBDHM O=C(NC[C@@H]1CCN1C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001557850907 1075899942 /nfs/dbraw/zinc/89/99/42/1075899942.db2.gz VJEATLZTCCDUEH-LBPRGKRZSA-N -1 3 353.806 2.701 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001558309768 1075977039 /nfs/dbraw/zinc/97/70/39/1075977039.db2.gz KPSPWCYCVVLWQY-UHFFFAOYSA-N -1 3 366.736 2.690 20 5 FFBDHM C[C@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccccc1[N+](=O)[O-] ZINC001558602934 1076043850 /nfs/dbraw/zinc/04/38/50/1076043850.db2.gz GFKDYPNNCGTHQM-LLVKDONJSA-N -1 3 352.350 2.777 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001561414923 1076373756 /nfs/dbraw/zinc/37/37/56/1076373756.db2.gz JVLDTINGSHBWRR-STQMWFEESA-N -1 3 374.434 2.914 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)c([N+](=O)[O-])s1 ZINC001561621603 1076399508 /nfs/dbraw/zinc/39/95/08/1076399508.db2.gz WHYAVLWGMORTSE-NOZJJQNGSA-N -1 3 354.409 2.765 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccc([N+](=O)[O-])cc1 ZINC001561913322 1076443962 /nfs/dbraw/zinc/44/39/62/1076443962.db2.gz QQPFMHJFSVLJHI-QMMMGPOBSA-N -1 3 359.766 2.822 20 5 FFBDHM O=C(Nc1cc(Br)ccc1[O-])[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001567237232 1077008143 /nfs/dbraw/zinc/00/81/43/1077008143.db2.gz JFTJJZZOWYQQJL-ZDUSSCGKSA-N -1 3 367.155 2.735 20 5 FFBDHM CC(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC001574414416 1077983516 /nfs/dbraw/zinc/98/35/16/1077983516.db2.gz XXZOSJVQJPLNMJ-UHFFFAOYSA-N -1 3 372.410 2.890 20 5 FFBDHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001588942722 1080276330 /nfs/dbraw/zinc/27/63/30/1080276330.db2.gz FVXOJQNOSOITEE-NSHDSACASA-N -1 3 352.354 2.541 20 5 FFBDHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001588942722 1080276333 /nfs/dbraw/zinc/27/63/33/1080276333.db2.gz FVXOJQNOSOITEE-NSHDSACASA-N -1 3 352.354 2.541 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CC(F)(F)F ZINC001589292455 1080467452 /nfs/dbraw/zinc/46/74/52/1080467452.db2.gz CEDNYYBLXQKQIG-UHFFFAOYSA-N -1 3 359.312 2.748 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CC(F)(F)F ZINC001589292455 1080467456 /nfs/dbraw/zinc/46/74/56/1080467456.db2.gz CEDNYYBLXQKQIG-UHFFFAOYSA-N -1 3 359.312 2.748 20 5 FFBDHM CC(C)COc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001589648425 1080649912 /nfs/dbraw/zinc/64/99/12/1080649912.db2.gz QILXZZDXFMLOER-UHFFFAOYSA-N -1 3 369.385 2.817 20 5 FFBDHM CC(C)COc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001589648425 1080649916 /nfs/dbraw/zinc/64/99/16/1080649916.db2.gz QILXZZDXFMLOER-UHFFFAOYSA-N -1 3 369.385 2.817 20 5 FFBDHM CC(C)c1ccc(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589769167 1080723391 /nfs/dbraw/zinc/72/33/91/1080723391.db2.gz INAPUEJOGSHCIG-UHFFFAOYSA-N -1 3 353.386 2.948 20 5 FFBDHM CC(C)c1ccc(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589769167 1080723394 /nfs/dbraw/zinc/72/33/94/1080723394.db2.gz INAPUEJOGSHCIG-UHFFFAOYSA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589800986 1080755310 /nfs/dbraw/zinc/75/53/10/1080755310.db2.gz FSEGBPIGMVPVDV-NOZJJQNGSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589800992 1080756517 /nfs/dbraw/zinc/75/65/17/1080756517.db2.gz FSEGBPIGMVPVDV-ZANVPECISA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001589965928 1080909304 /nfs/dbraw/zinc/90/93/04/1080909304.db2.gz SPFGDKQMAQJBQO-VIFPVBQESA-N -1 3 360.324 2.904 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001589980565 1080919053 /nfs/dbraw/zinc/91/90/53/1080919053.db2.gz CSAZSILSUXWQMX-VIFPVBQESA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC001589989796 1080925396 /nfs/dbraw/zinc/92/53/96/1080925396.db2.gz DFYAAPUCPGQIPO-SECBINFHSA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC001589989796 1080925401 /nfs/dbraw/zinc/92/54/01/1080925401.db2.gz DFYAAPUCPGQIPO-SECBINFHSA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001590011467 1080938964 /nfs/dbraw/zinc/93/89/64/1080938964.db2.gz MATHNBGPFZTRQL-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001590011467 1080938970 /nfs/dbraw/zinc/93/89/70/1080938970.db2.gz MATHNBGPFZTRQL-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001590042052 1080967223 /nfs/dbraw/zinc/96/72/23/1080967223.db2.gz HLBVETKQINVTDG-JTQLQIEISA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001590042052 1080967227 /nfs/dbraw/zinc/96/72/27/1080967227.db2.gz HLBVETKQINVTDG-JTQLQIEISA-N -1 3 370.344 2.747 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H]1c1cccnc1 ZINC001590107744 1081018692 /nfs/dbraw/zinc/01/86/92/1081018692.db2.gz BBLMGGLTVIZDEP-HNNXBMFYSA-N -1 3 351.370 2.757 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1cccnc1 ZINC001590107744 1081018699 /nfs/dbraw/zinc/01/86/99/1081018699.db2.gz BBLMGGLTVIZDEP-HNNXBMFYSA-N -1 3 351.370 2.757 20 5 FFBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc2C1 ZINC001590135191 1081041743 /nfs/dbraw/zinc/04/17/43/1081041743.db2.gz IMWNIAFCXIVDCY-UHFFFAOYSA-N -1 3 350.382 2.992 20 5 FFBDHM CC1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc2C1 ZINC001590135191 1081041747 /nfs/dbraw/zinc/04/17/47/1081041747.db2.gz IMWNIAFCXIVDCY-UHFFFAOYSA-N -1 3 350.382 2.992 20 5 FFBDHM C[C@@H]1CC(CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590188461 1081077164 /nfs/dbraw/zinc/07/71/64/1081077164.db2.gz DZQBSQDBVKRFKW-NXEZZACHSA-N -1 3 364.381 2.920 20 5 FFBDHM C[C@@H]1CC(CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001590188461 1081077171 /nfs/dbraw/zinc/07/71/71/1081077171.db2.gz DZQBSQDBVKRFKW-NXEZZACHSA-N -1 3 364.381 2.920 20 5 FFBDHM C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590213878 1081096552 /nfs/dbraw/zinc/09/65/52/1081096552.db2.gz FRBVOLWQDKDJEE-ABAIWWIYSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@@H]1C[C@@H](c2cccnc2)N(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590213878 1081096560 /nfs/dbraw/zinc/09/65/60/1081096560.db2.gz FRBVOLWQDKDJEE-ABAIWWIYSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@H]1C[C@@H](c2cccnc2)N(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590213880 1081096893 /nfs/dbraw/zinc/09/68/93/1081096893.db2.gz FRBVOLWQDKDJEE-NHYWBVRUSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@H]1C[C@@H](c2cccnc2)N(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590213880 1081096898 /nfs/dbraw/zinc/09/68/98/1081096898.db2.gz FRBVOLWQDKDJEE-NHYWBVRUSA-N -1 3 351.370 2.757 20 5 FFBDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000118438407 250385271 /nfs/dbraw/zinc/38/52/71/250385271.db2.gz GCBHUHOLERCPKT-IUODEOHRSA-N -1 3 356.444 2.714 20 5 FFBDHM CSC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163370605 251187237 /nfs/dbraw/zinc/18/72/37/251187237.db2.gz ARFHEGXKTISRIY-ZETCQYMHSA-N -1 3 358.363 2.643 20 5 FFBDHM COc1cc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c([N+](=O)[O-])cc1[O-] ZINC000278773399 256346558 /nfs/dbraw/zinc/34/65/58/256346558.db2.gz OWHFGKMZRBNESI-UHFFFAOYSA-N -1 3 372.381 2.752 20 5 FFBDHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000044282764 506828550 /nfs/dbraw/zinc/82/85/50/506828550.db2.gz LNUXDOAKDKGIJA-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000067433861 506878307 /nfs/dbraw/zinc/87/83/07/506878307.db2.gz GBYQXEZSHUJUFH-KGLIPLIRSA-N -1 3 366.370 2.577 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccccc2)c(Cl)c1 ZINC000055991025 506905504 /nfs/dbraw/zinc/90/55/04/506905504.db2.gz OQKBWPMVIWEKMK-UHFFFAOYSA-N -1 3 370.814 2.996 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000014208378 506979504 /nfs/dbraw/zinc/97/95/04/506979504.db2.gz VDJRZIGVWFTATE-UHFFFAOYSA-N -1 3 358.322 2.675 20 5 FFBDHM CC(C)COCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047543446 507355240 /nfs/dbraw/zinc/35/52/40/507355240.db2.gz OHAXUUHRCQQVOW-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000030497810 507809384 /nfs/dbraw/zinc/80/93/84/507809384.db2.gz KOSFZHJODUDFJU-UHFFFAOYSA-N -1 3 368.436 2.674 20 5 FFBDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030530408 507809886 /nfs/dbraw/zinc/80/98/86/507809886.db2.gz HXOCYHORICMPIZ-UHFFFAOYSA-N -1 3 367.358 2.802 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000072718589 507846595 /nfs/dbraw/zinc/84/65/95/507846595.db2.gz JOKAVQACTHHOOQ-GFCCVEGCSA-N -1 3 362.835 2.732 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000108875305 507922436 /nfs/dbraw/zinc/92/24/36/507922436.db2.gz CFHVLKSOBKOKGO-CYBMUJFWSA-N -1 3 362.407 2.748 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1n1cccn1 ZINC000081187203 508146422 /nfs/dbraw/zinc/14/64/22/508146422.db2.gz NSFFYTLETZUNMM-KBPBESRZSA-N -1 3 364.427 2.562 20 5 FFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000085785658 508316565 /nfs/dbraw/zinc/31/65/65/508316565.db2.gz ZVCCMCKLNSDTJS-AWEZNQCLSA-N -1 3 355.394 2.819 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087053234 508333817 /nfs/dbraw/zinc/33/38/17/508333817.db2.gz UBRFIJJVDCMXRZ-UHFFFAOYSA-N -1 3 363.395 2.538 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000122695663 508573693 /nfs/dbraw/zinc/57/36/93/508573693.db2.gz IYVTVWZKEFLQOK-UHFFFAOYSA-N -1 3 365.436 2.967 20 5 FFBDHM Cc1cc(Cl)cc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC000116980106 508574333 /nfs/dbraw/zinc/57/43/33/508574333.db2.gz DOOMKIYGEARMRT-UHFFFAOYSA-N -1 3 363.757 2.631 20 5 FFBDHM C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000117114794 508580219 /nfs/dbraw/zinc/58/02/19/508580219.db2.gz RUBFJVISBUPNEA-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c(F)c1 ZINC000122911048 508606022 /nfs/dbraw/zinc/60/60/22/508606022.db2.gz YPBRIHSFPXBNDF-UHFFFAOYSA-N -1 3 357.388 2.546 20 5 FFBDHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000158216113 508672999 /nfs/dbraw/zinc/67/29/99/508672999.db2.gz MHEHLDFSZGLZQN-BXKDBHETSA-N -1 3 374.415 2.586 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000119369836 508782794 /nfs/dbraw/zinc/78/27/94/508782794.db2.gz KJLVTOZPBZMBSV-LBPRGKRZSA-N -1 3 353.400 2.938 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124828163 508891069 /nfs/dbraw/zinc/89/10/69/508891069.db2.gz GUIMQKBWXHEIED-CYBMUJFWSA-N -1 3 373.500 2.508 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000124843647 508893609 /nfs/dbraw/zinc/89/36/09/508893609.db2.gz UJIYDIOWRPJWBY-ZDUSSCGKSA-N -1 3 356.425 2.631 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000124918390 508904896 /nfs/dbraw/zinc/90/48/96/508904896.db2.gz FXMPZRHUBUVVHB-NEPJUHHUSA-N -1 3 370.456 2.623 20 5 FFBDHM Cc1cnc([C@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000131333810 508917725 /nfs/dbraw/zinc/91/77/25/508917725.db2.gz SVWSQMDFHMSZSM-CQSZACIVSA-N -1 3 367.452 2.930 20 5 FFBDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000125235286 508952649 /nfs/dbraw/zinc/95/26/49/508952649.db2.gz FQNCOZHVYJXBIS-ZDUSSCGKSA-N -1 3 370.452 2.593 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCC1 ZINC000125631416 509009630 /nfs/dbraw/zinc/00/96/30/509009630.db2.gz CXSAJQIVVCUHGP-UHFFFAOYSA-N -1 3 362.473 2.840 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000151663774 509061977 /nfs/dbraw/zinc/06/19/77/509061977.db2.gz OFGKRTJSGCBDCQ-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000121613264 509179451 /nfs/dbraw/zinc/17/94/51/509179451.db2.gz AMTRYQQPHQIPEI-GFCCVEGCSA-N -1 3 352.368 2.552 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182508994 509278154 /nfs/dbraw/zinc/27/81/54/509278154.db2.gz APLNUKCFHWTTJJ-UHFFFAOYSA-N -1 3 356.256 2.971 20 5 FFBDHM Cc1csc([C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000185847090 509383932 /nfs/dbraw/zinc/38/39/32/509383932.db2.gz YFURXIXQWNJIEO-CYBMUJFWSA-N -1 3 353.425 2.789 20 5 FFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000267590351 509556146 /nfs/dbraw/zinc/55/61/46/509556146.db2.gz ADHPSHPDBUWIPR-JTQLQIEISA-N -1 3 371.440 2.546 20 5 FFBDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000179875889 509656863 /nfs/dbraw/zinc/65/68/63/509656863.db2.gz HDKHPENUMMTFCE-HIFRSBDPSA-N -1 3 356.444 2.857 20 5 FFBDHM O=C(c1ccc2n[n-]nc2c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173645850 509697067 /nfs/dbraw/zinc/69/70/67/509697067.db2.gz LBOWNQPTAZJBKX-UHFFFAOYSA-N -1 3 367.365 2.550 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000170735130 509744190 /nfs/dbraw/zinc/74/41/90/509744190.db2.gz ZIQOOSQCLIAXQR-HNNXBMFYSA-N -1 3 364.423 2.878 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000170735133 509744705 /nfs/dbraw/zinc/74/47/05/509744705.db2.gz ZIQOOSQCLIAXQR-OAHLLOKOSA-N -1 3 364.423 2.878 20 5 FFBDHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000180194560 509806101 /nfs/dbraw/zinc/80/61/01/509806101.db2.gz UACQGHZZSHTSGF-SNVBAGLBSA-N -1 3 371.440 2.707 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000173975399 509883705 /nfs/dbraw/zinc/88/37/05/509883705.db2.gz JOBLLTALEJOOPL-CQSZACIVSA-N -1 3 370.814 2.914 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000190030025 509894952 /nfs/dbraw/zinc/89/49/52/509894952.db2.gz DTEJEGOBBNQNAE-HNNXBMFYSA-N -1 3 364.423 2.878 20 5 FFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177182918 509922564 /nfs/dbraw/zinc/92/25/64/509922564.db2.gz IQIGUOGHOXXUSM-CQSZACIVSA-N -1 3 355.394 2.819 20 5 FFBDHM COCc1nc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n[n-]1 ZINC000268505073 509975887 /nfs/dbraw/zinc/97/58/87/509975887.db2.gz UJTIVQXYBGSKLC-MRVPVSSYSA-N -1 3 362.371 2.763 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194061826 510198222 /nfs/dbraw/zinc/19/82/22/510198222.db2.gz FLHKNDFTEKFGGS-UONOGXRCSA-N -1 3 350.371 2.877 20 5 FFBDHM CCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000194132031 510229398 /nfs/dbraw/zinc/22/93/98/510229398.db2.gz AADSUASCAGKMLE-UHFFFAOYSA-N -1 3 358.398 2.671 20 5 FFBDHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000181016300 510240083 /nfs/dbraw/zinc/24/00/83/510240083.db2.gz NDCDMDGOYLNKKI-UHFFFAOYSA-N -1 3 371.440 2.707 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1cc(-c2ccccc2)on1 ZINC000184389950 510300679 /nfs/dbraw/zinc/30/06/79/510300679.db2.gz BAWUPZGBWHAZRW-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(OCCN(C)C)c1 ZINC000269305182 510333146 /nfs/dbraw/zinc/33/31/46/510333146.db2.gz WMYZCNOHYVNESO-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000187723033 510402783 /nfs/dbraw/zinc/40/27/83/510402783.db2.gz 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CSc1cccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1[N+](=O)[O-] ZINC000188244869 510667614 /nfs/dbraw/zinc/66/76/14/510667614.db2.gz XMKPPVQSTXEARJ-UHFFFAOYSA-N -1 3 358.383 2.693 20 5 FFBDHM COc1cc(CNCc2cnc(OC)c(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000294732225 511158754 /nfs/dbraw/zinc/15/87/54/511158754.db2.gz DKCJOTSOCMUFCF-UHFFFAOYSA-N -1 3 353.762 2.656 20 5 FFBDHM COc1cc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)c([N+](=O)[O-])cc1F ZINC000294795175 511180290 /nfs/dbraw/zinc/18/02/90/511180290.db2.gz DPQJRIMDAOEFDQ-UHFFFAOYSA-N -1 3 365.342 2.970 20 5 FFBDHM CC(C)(O)c1nnc([N-]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000283759582 511490111 /nfs/dbraw/zinc/49/01/11/511490111.db2.gz BFAZOBXMEHNEJA-UHFFFAOYSA-N -1 3 361.383 2.941 20 5 FFBDHM CN1CCC(N(Cc2ccco2)C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000281046187 511701098 /nfs/dbraw/zinc/70/10/98/511701098.db2.gz XAAWJACNXSZYBF-UHFFFAOYSA-N -1 3 359.382 2.630 20 5 FFBDHM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274880434 511973730 /nfs/dbraw/zinc/97/37/30/511973730.db2.gz CNUHIOXGKFTFGM-CYBMUJFWSA-N -1 3 373.365 2.896 20 5 FFBDHM O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275080902 512034885 /nfs/dbraw/zinc/03/48/85/512034885.db2.gz DQASXYXOQBLTLM-JKSUJKDBSA-N -1 3 373.365 2.630 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000412345798 513047204 /nfs/dbraw/zinc/04/72/04/513047204.db2.gz ZWDMOASXQPUCDV-JTQLQIEISA-N -1 3 367.203 2.710 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)C2CC2)CCC3)n1 ZINC000446611881 513296129 /nfs/dbraw/zinc/29/61/29/513296129.db2.gz QEQVDTLYZMIVCQ-UHFFFAOYSA-N -1 3 360.395 2.724 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2)c(Br)c1 ZINC000446952243 513367268 /nfs/dbraw/zinc/36/72/68/513367268.db2.gz MIRBXDRLRQHCKA-UHFFFAOYSA-N -1 3 371.212 2.836 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000416526156 513818107 /nfs/dbraw/zinc/81/81/07/513818107.db2.gz CGTWLYNGOKETIK-GXTWGEPZSA-N 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3 361.102 2.621 20 5 FFBDHM C[C@]1(c2ccc(CNc3ccc([N+](=O)[O-])cc3Cl)cc2)NC(=O)[N-]C1=O ZINC000523180446 516404017 /nfs/dbraw/zinc/40/40/17/516404017.db2.gz QGWVWVXLHAUJBI-QGZVFWFLSA-N -1 3 374.784 2.915 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000547946925 516649904 /nfs/dbraw/zinc/64/99/04/516649904.db2.gz IERYOQJTZUFBJN-UHFFFAOYSA-N -1 3 364.383 2.777 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000547946925 516649912 /nfs/dbraw/zinc/64/99/12/516649912.db2.gz IERYOQJTZUFBJN-UHFFFAOYSA-N -1 3 364.383 2.777 20 5 FFBDHM Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c(=O)[n-]1 ZINC000544263724 516669114 /nfs/dbraw/zinc/66/91/14/516669114.db2.gz BRCKHVYSSXEMPD-UHFFFAOYSA-N -1 3 362.411 2.829 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)c1ccc(F)cc1 ZINC000518994460 516847675 /nfs/dbraw/zinc/84/76/75/516847675.db2.gz LKVZLOOIIFJFRB-NSHDSACASA-N -1 3 368.386 2.825 20 5 FFBDHM Cc1cc([N-]C(=O)COc2c(C)cc(Br)cc2[N+](=O)[O-])on1 ZINC000514909486 517118112 /nfs/dbraw/zinc/11/81/12/517118112.db2.gz IPCCCROKCODGNF-UHFFFAOYSA-N -1 3 370.159 2.980 20 5 FFBDHM CSc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000555843677 517150631 /nfs/dbraw/zinc/15/06/31/517150631.db2.gz QSDKCRUEXXFWED-UHFFFAOYSA-N -1 3 372.204 2.758 20 5 FFBDHM CSc1nnc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)[n-]1 ZINC000555843677 517150627 /nfs/dbraw/zinc/15/06/27/517150627.db2.gz QSDKCRUEXXFWED-UHFFFAOYSA-N -1 3 372.204 2.758 20 5 FFBDHM COc1nc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[n-]1 ZINC000537734880 517315911 /nfs/dbraw/zinc/31/59/11/517315911.db2.gz KAIOFHWSNRLAPH-UHFFFAOYSA-N -1 3 354.326 2.717 20 5 FFBDHM COc1nnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[n-]1 ZINC000537734880 517315917 /nfs/dbraw/zinc/31/59/17/517315917.db2.gz KAIOFHWSNRLAPH-UHFFFAOYSA-N -1 3 354.326 2.717 20 5 FFBDHM COc1n[n-]c(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000537734880 517315921 /nfs/dbraw/zinc/31/59/21/517315921.db2.gz KAIOFHWSNRLAPH-UHFFFAOYSA-N -1 3 354.326 2.717 20 5 FFBDHM COc1ccc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000520268055 517325732 /nfs/dbraw/zinc/32/57/32/517325732.db2.gz SGHLBZLVRUDPEE-UHFFFAOYSA-N -1 3 354.409 2.633 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)Nc2c([O-])cccc2Cl)cc([N+](=O)[O-])c1 ZINC000552779737 517389291 /nfs/dbraw/zinc/38/92/91/517389291.db2.gz BNUQLVGLTIECML-UHFFFAOYSA-N -1 3 370.770 2.610 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000516573334 517750951 /nfs/dbraw/zinc/75/09/51/517750951.db2.gz WFGNNGGCUUMFCD-TZMCWYRMSA-N -1 3 356.382 2.935 20 5 FFBDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000553571421 517790663 /nfs/dbraw/zinc/79/06/63/517790663.db2.gz KDXNGMKWKMJLSD-MGPLVRAMSA-N -1 3 366.370 2.676 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000538929886 517849454 /nfs/dbraw/zinc/84/94/54/517849454.db2.gz ZZAMFPUKIQDWCC-UHFFFAOYSA-N -1 3 359.338 2.528 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c1 ZINC000553882437 517950556 /nfs/dbraw/zinc/95/05/56/517950556.db2.gz HNTILSGLUZSKMJ-IUCAKERBSA-N -1 3 367.196 2.526 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000543185988 517954201 /nfs/dbraw/zinc/95/42/01/517954201.db2.gz CSTHOPHTQSXNJJ-UHFFFAOYSA-N -1 3 370.427 2.629 20 5 FFBDHM Cc1cc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)ccc1[N+](=O)[O-] ZINC000547018446 517959330 /nfs/dbraw/zinc/95/93/30/517959330.db2.gz KMMFCTQHWBXDGC-UHFFFAOYSA-N -1 3 374.378 2.992 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1cc(S(C)(=O)=O)ccn1 ZINC000563677536 518061591 /nfs/dbraw/zinc/06/15/91/518061591.db2.gz AGMMRGQQOFLJAV-UHFFFAOYSA-N -1 3 369.786 2.607 20 5 FFBDHM CCN(CC)[C@@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccco1 ZINC000578511594 518245942 /nfs/dbraw/zinc/24/59/42/518245942.db2.gz XVOIWMAJMSKIQV-ZDUSSCGKSA-N -1 3 362.386 2.506 20 5 FFBDHM C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000567166624 518386036 /nfs/dbraw/zinc/38/60/36/518386036.db2.gz HABUJNIQRWOBCB-BLLLJJGKSA-N -1 3 358.398 2.538 20 5 FFBDHM CSc1cccc(C(=O)[N-]c2ncnn2-c2ccccc2)c1[N+](=O)[O-] ZINC000581966995 518525052 /nfs/dbraw/zinc/52/50/52/518525052.db2.gz ZJGJQGLPMZPMSG-UHFFFAOYSA-N -1 3 355.379 2.572 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000579140082 518541259 /nfs/dbraw/zinc/54/12/59/518541259.db2.gz UEUGYTVHSRIFOP-UHFFFAOYSA-N -1 3 356.382 2.721 20 5 FFBDHM C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565024949 518747094 /nfs/dbraw/zinc/74/70/94/518747094.db2.gz OFQWBXKYHZYTKY-GWCFXTLKSA-N -1 3 353.806 2.653 20 5 FFBDHM Cn1cc(C(=O)[N-]c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])nn1 ZINC000568133937 518889883 /nfs/dbraw/zinc/88/98/83/518889883.db2.gz LFKQZNOTQHXNCY-UHFFFAOYSA-N -1 3 353.338 2.555 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c(C(F)(F)F)c1 ZINC000571545990 519150634 /nfs/dbraw/zinc/15/06/34/519150634.db2.gz UUVBHBDUCNTPAF-SFYZADRCSA-N -1 3 356.297 2.783 20 5 FFBDHM COc1cc(CNC[C@H]2CSc3ccccc3O2)c([N+](=O)[O-])cc1[O-] ZINC000568749580 519195477 /nfs/dbraw/zinc/19/54/77/519195477.db2.gz QUGQGCLUJRZNOR-LBPRGKRZSA-N -1 3 362.407 2.952 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1c([O-])cccc1Cl ZINC000590566792 519269018 /nfs/dbraw/zinc/26/90/18/519269018.db2.gz OKFUGNMSNIIVFZ-SECBINFHSA-N -1 3 363.757 2.711 20 5 FFBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000568937001 519292296 /nfs/dbraw/zinc/29/22/96/519292296.db2.gz YBWXRFUZKGGGHT-OAHLLOKOSA-N -1 3 364.423 2.532 20 5 FFBDHM O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc([O-])ccc1Cl ZINC000572083176 519432608 /nfs/dbraw/zinc/43/26/08/519432608.db2.gz IMNAHKZDOLYVLL-UHFFFAOYSA-N -1 3 359.729 2.991 20 5 FFBDHM COc1cccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1F ZINC000594462974 519978212 /nfs/dbraw/zinc/97/82/12/519978212.db2.gz SNCUXDYSUSTGFA-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594491091 519999724 /nfs/dbraw/zinc/99/97/24/519999724.db2.gz NAXIINYEEMUPBZ-CYBMUJFWSA-N -1 3 354.428 2.673 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(C)(F)F ZINC000594578628 520036125 /nfs/dbraw/zinc/03/61/25/520036125.db2.gz IQPSAGVEKSMYTD-UHFFFAOYSA-N -1 3 359.354 2.855 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000594756137 520136721 /nfs/dbraw/zinc/13/67/21/520136721.db2.gz XXLOBGSGUYKHCR-UHFFFAOYSA-N -1 3 367.452 2.565 20 5 FFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCCS1 ZINC000594757387 520137086 /nfs/dbraw/zinc/13/70/86/520137086.db2.gz COQOMTUKMYOBBI-HNNXBMFYSA-N -1 3 367.452 2.707 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)O)cc1C ZINC000595407960 520449480 /nfs/dbraw/zinc/44/94/80/520449480.db2.gz NRNVBIRZZFXXRJ-DYVFJYSZSA-N -1 3 364.423 2.612 20 5 FFBDHM CCCN(CCN1CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592798552 520585907 /nfs/dbraw/zinc/58/59/07/520585907.db2.gz GCXJMESGCZPOMU-UHFFFAOYSA-N -1 3 355.822 2.902 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@]1(C)c1ccccc1 ZINC000610265367 520611452 /nfs/dbraw/zinc/61/14/52/520611452.db2.gz FWJBUPIEPXTBGJ-DLBZAZTESA-N -1 3 362.407 2.612 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C12CCC2 ZINC000610267049 520613168 /nfs/dbraw/zinc/61/31/68/520613168.db2.gz TZHJRHCCCLEFCU-GJZGRUSLSA-N -1 3 354.428 2.529 20 5 FFBDHM O=C([O-])[C@@H]1c2ccccc2CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595892881 520799373 /nfs/dbraw/zinc/79/93/73/520799373.db2.gz UZQLIEJXSJZOGQ-SFHVURJKSA-N -1 3 369.377 2.607 20 5 FFBDHM O=C(Cc1ccc([O-])cc1Cl)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000610878967 520888287 /nfs/dbraw/zinc/88/82/87/520888287.db2.gz ANEWLQRVEGTKEH-UHFFFAOYSA-N -1 3 350.758 2.692 20 5 FFBDHM O=C(c1ccccc1F)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596075268 520897427 /nfs/dbraw/zinc/89/74/27/520897427.db2.gz GNBGGKRZKDZQIJ-UHFFFAOYSA-N -1 3 360.345 2.551 20 5 FFBDHM C[C@H]1CN(Cc2cccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])c2)CCO1 ZINC000596087635 520903848 /nfs/dbraw/zinc/90/38/48/520903848.db2.gz IZAXVQHKBSGYID-ZDUSSCGKSA-N -1 3 358.398 2.528 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(OC(C)C)CC1 ZINC000611038965 520956359 /nfs/dbraw/zinc/95/63/59/520956359.db2.gz GSIXPTMCKDKQHA-UHFFFAOYSA-N -1 3 372.443 2.618 20 5 FFBDHM O=c1[n-]ccc(N2CCC(n3ccc(C(F)(F)F)n3)CC2)c1[N+](=O)[O-] ZINC000596187954 520959634 /nfs/dbraw/zinc/95/96/34/520959634.db2.gz RGMMWPRELRNUAJ-UHFFFAOYSA-N -1 3 357.292 2.752 20 5 FFBDHM O=c1[n-]nc(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)o1 ZINC000596228044 520982713 /nfs/dbraw/zinc/98/27/13/520982713.db2.gz WLPVXZCEFQYCBP-UHFFFAOYSA-N -1 3 369.175 2.830 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CCC1 ZINC000611117541 520993086 /nfs/dbraw/zinc/99/30/86/520993086.db2.gz VHYFZOIEXLIXEQ-MRVPVSSYSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593577490 521087584 /nfs/dbraw/zinc/08/75/84/521087584.db2.gz COVVTXFCQTUJGH-LBPRGKRZSA-N -1 3 367.452 2.757 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)nc1 ZINC000593586968 521092273 /nfs/dbraw/zinc/09/22/73/521092273.db2.gz VSIGWKFEKDGSQD-CABCVRRESA-N -1 3 361.423 2.995 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cc(F)cc32)nc1 ZINC000593605107 521103258 /nfs/dbraw/zinc/10/32/58/521103258.db2.gz WWBOPDNCUFSQKC-CQSZACIVSA-N -1 3 369.349 2.624 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cncc(F)c2)cc1C ZINC000611619212 521252421 /nfs/dbraw/zinc/25/24/21/521252421.db2.gz PSDRYQTUSPNOME-LLVKDONJSA-N -1 3 353.375 2.785 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000612138502 521501613 /nfs/dbraw/zinc/50/16/13/521501613.db2.gz WHUFUCYOPOBRQC-UHFFFAOYSA-N -1 3 364.370 2.850 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000619479512 521590305 /nfs/dbraw/zinc/59/03/05/521590305.db2.gz OVKMWTMOWAJUOS-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1C ZINC000619483267 521591657 /nfs/dbraw/zinc/59/16/57/521591657.db2.gz GSMHQLFNWVEQNU-MEDUHNTESA-N -1 3 362.407 2.815 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000619498072 521598112 /nfs/dbraw/zinc/59/81/12/521598112.db2.gz QTELKDFDCLZCKQ-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000619796287 521877405 /nfs/dbraw/zinc/87/74/05/521877405.db2.gz GAOIPFIQFOWMJX-UWVGGRQHSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1ccccc1CCc1cc(=NC(=O)c2cc([N+](=O)[O-])cnc2[O-])[nH][nH]1 ZINC000484845568 561306946 /nfs/dbraw/zinc/30/69/46/561306946.db2.gz HCWVQQUEKSHSIB-UHFFFAOYSA-N -1 3 367.365 2.764 20 5 FFBDHM Cn1[n-]c(=NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1OC(F)F ZINC000490993465 561441460 /nfs/dbraw/zinc/44/14/60/561441460.db2.gz YFUGFRUTPYYDMJ-UHFFFAOYSA-N -1 3 363.280 2.730 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCCN(c2ccccc2)C1 ZINC000738358471 599059864 /nfs/dbraw/zinc/05/98/64/599059864.db2.gz MKZYIFFSBUJDSK-CQSZACIVSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCCN(c2ccccc2)C1 ZINC000738358471 599059866 /nfs/dbraw/zinc/05/98/66/599059866.db2.gz MKZYIFFSBUJDSK-CQSZACIVSA-N -1 3 365.397 2.856 20 5 FFBDHM CC[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820994278 599102145 /nfs/dbraw/zinc/10/21/45/599102145.db2.gz GHCJHLBMJPOQJT-LLVKDONJSA-N -1 3 371.426 2.655 20 5 FFBDHM CC[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820994278 599102146 /nfs/dbraw/zinc/10/21/46/599102146.db2.gz GHCJHLBMJPOQJT-LLVKDONJSA-N -1 3 371.426 2.655 20 5 FFBDHM CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736401508 599272792 /nfs/dbraw/zinc/27/27/92/599272792.db2.gz ITSVCHROTIYTPD-LLVKDONJSA-N -1 3 353.386 2.950 20 5 FFBDHM CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736401508 599272794 /nfs/dbraw/zinc/27/27/94/599272794.db2.gz ITSVCHROTIYTPD-LLVKDONJSA-N -1 3 353.386 2.950 20 5 FFBDHM Cc1ccc(OCCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737366584 598245557 /nfs/dbraw/zinc/24/55/57/598245557.db2.gz SGVKPHICICKBKO-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1ccc(OCCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737366584 598245559 /nfs/dbraw/zinc/24/55/59/598245559.db2.gz SGVKPHICICKBKO-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](c2ccccc2F)C1 ZINC000738357653 598427956 /nfs/dbraw/zinc/42/79/56/598427956.db2.gz HPPVVUBBQUMRQF-LBPRGKRZSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2ccccc2F)C1 ZINC000738357653 598427957 /nfs/dbraw/zinc/42/79/57/598427957.db2.gz HPPVVUBBQUMRQF-LBPRGKRZSA-N -1 3 354.345 2.908 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737378593 598613431 /nfs/dbraw/zinc/61/34/31/598613431.db2.gz VBSXPJBPLXVNRL-OAHLLOKOSA-N -1 3 352.354 2.937 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737378593 598613433 /nfs/dbraw/zinc/61/34/33/598613433.db2.gz VBSXPJBPLXVNRL-OAHLLOKOSA-N -1 3 352.354 2.937 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737799317 598703611 /nfs/dbraw/zinc/70/36/11/598703611.db2.gz NPPDACMNNAOCGV-FPYGCLRLSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737799317 598703612 /nfs/dbraw/zinc/70/36/12/598703612.db2.gz NPPDACMNNAOCGV-FPYGCLRLSA-N -1 3 369.312 2.671 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1OCCc2ccccc21 ZINC000738357602 598817911 /nfs/dbraw/zinc/81/79/11/598817911.db2.gz GJFLMYVGJDLUBW-INIZCTEOSA-N -1 3 352.354 2.501 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1OCCc2ccccc21 ZINC000738357602 598817912 /nfs/dbraw/zinc/81/79/12/598817912.db2.gz GJFLMYVGJDLUBW-INIZCTEOSA-N -1 3 352.354 2.501 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370670 599324599 /nfs/dbraw/zinc/32/45/99/599324599.db2.gz XRGRWCACZUYZMB-UHFFFAOYSA-N -1 3 365.397 2.629 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC(Cc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370670 599324601 /nfs/dbraw/zinc/32/46/01/599324601.db2.gz XRGRWCACZUYZMB-UHFFFAOYSA-N -1 3 365.397 2.629 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCc2nc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000823639744 599361489 /nfs/dbraw/zinc/36/14/89/599361489.db2.gz GVYSGYHFKFZJEV-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCc2nc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000823639744 599361492 /nfs/dbraw/zinc/36/14/92/599361492.db2.gz GVYSGYHFKFZJEV-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000825694664 607430367 /nfs/dbraw/zinc/43/03/67/607430367.db2.gz YQULBQMQHLTUGJ-UHFFFAOYSA-N -1 3 372.410 2.888 20 5 FFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000825694664 607430370 /nfs/dbraw/zinc/43/03/70/607430370.db2.gz YQULBQMQHLTUGJ-UHFFFAOYSA-N -1 3 372.410 2.888 20 5 FFBDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)n1 ZINC000826282391 607522650 /nfs/dbraw/zinc/52/26/50/607522650.db2.gz MNKOFBCDLUITDA-UHFFFAOYSA-N -1 3 373.760 2.692 20 5 FFBDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)n1 ZINC000826282391 607522653 /nfs/dbraw/zinc/52/26/53/607522653.db2.gz MNKOFBCDLUITDA-UHFFFAOYSA-N -1 3 373.760 2.692 20 5 FFBDHM O=C(Cc1cccs1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826424100 607523253 /nfs/dbraw/zinc/52/32/53/607523253.db2.gz VVJKIYNNQLJFBG-UHFFFAOYSA-N -1 3 364.774 2.671 20 5 FFBDHM O=C(Cc1cccs1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826424100 607523254 /nfs/dbraw/zinc/52/32/54/607523254.db2.gz VVJKIYNNQLJFBG-UHFFFAOYSA-N -1 3 364.774 2.671 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826247264 607701857 /nfs/dbraw/zinc/70/18/57/607701857.db2.gz YEVCTOZTPKPTRD-GFCCVEGCSA-N -1 3 366.381 2.883 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826247264 607701859 /nfs/dbraw/zinc/70/18/59/607701859.db2.gz YEVCTOZTPKPTRD-GFCCVEGCSA-N -1 3 366.381 2.883 20 5 FFBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823032392 606172089 /nfs/dbraw/zinc/17/20/89/606172089.db2.gz RXANMBQVGGCKEW-UHFFFAOYSA-N -1 3 359.729 2.690 20 5 FFBDHM O=C(COc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823032392 606172090 /nfs/dbraw/zinc/17/20/90/606172090.db2.gz RXANMBQVGGCKEW-UHFFFAOYSA-N -1 3 359.729 2.690 20 5 FFBDHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1[N+](=O)[O-] ZINC000823070762 606328124 /nfs/dbraw/zinc/32/81/24/606328124.db2.gz MTMWXRVZXZPXKT-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1[N+](=O)[O-] ZINC000823070762 606328127 /nfs/dbraw/zinc/32/81/27/606328127.db2.gz MTMWXRVZXZPXKT-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1C ZINC000820909162 606427485 /nfs/dbraw/zinc/42/74/85/606427485.db2.gz UWUBTMQFMZBTHV-ZDUSSCGKSA-N -1 3 369.385 2.748 20 5 FFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1C ZINC000820909162 606427487 /nfs/dbraw/zinc/42/74/87/606427487.db2.gz UWUBTMQFMZBTHV-ZDUSSCGKSA-N -1 3 369.385 2.748 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229263 606448755 /nfs/dbraw/zinc/44/87/55/606448755.db2.gz QGRXFMXHBDLTEH-GFCCVEGCSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229263 606448757 /nfs/dbraw/zinc/44/87/57/606448757.db2.gz QGRXFMXHBDLTEH-GFCCVEGCSA-N -1 3 366.381 2.503 20 5 FFBDHM CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820921271 606588827 /nfs/dbraw/zinc/58/88/27/606588827.db2.gz XRTALNWUPLXFBS-OAHLLOKOSA-N -1 3 352.354 2.656 20 5 FFBDHM CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820921271 606588829 /nfs/dbraw/zinc/58/88/29/606588829.db2.gz XRTALNWUPLXFBS-OAHLLOKOSA-N -1 3 352.354 2.656 20 5 FFBDHM Cc1cc(F)cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000822203512 606590937 /nfs/dbraw/zinc/59/09/37/606590937.db2.gz XLSAXFHLTOLXBI-SNVBAGLBSA-N -1 3 370.344 2.713 20 5 FFBDHM Cc1cc(F)cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000822203512 606590939 /nfs/dbraw/zinc/59/09/39/606590939.db2.gz XLSAXFHLTOLXBI-SNVBAGLBSA-N -1 3 370.344 2.713 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820232463 606946426 /nfs/dbraw/zinc/94/64/26/606946426.db2.gz GGSFRGWNCYOHNR-MEDUHNTESA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820232463 606946428 /nfs/dbraw/zinc/94/64/28/606946428.db2.gz GGSFRGWNCYOHNR-MEDUHNTESA-N -1 3 354.370 2.699 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000821983248 606973830 /nfs/dbraw/zinc/97/38/30/606973830.db2.gz FEKCSNVMENJCKI-UHFFFAOYSA-N -1 3 370.394 2.773 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000821983248 606973833 /nfs/dbraw/zinc/97/38/33/606973833.db2.gz FEKCSNVMENJCKI-UHFFFAOYSA-N -1 3 370.394 2.773 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(-c2nnn[n-]2)c1 ZINC000826499215 607849786 /nfs/dbraw/zinc/84/97/86/607849786.db2.gz ZWYONJFBQIIFAY-KCPJHIHWSA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(-c2nn[n-]n2)c1 ZINC000826499215 607849787 /nfs/dbraw/zinc/84/97/87/607849787.db2.gz ZWYONJFBQIIFAY-KCPJHIHWSA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1nc3ccccc3cc1-c1nnn[n-]1)C2 ZINC000826500017 607937698 /nfs/dbraw/zinc/93/76/98/607937698.db2.gz IEHXKOXSFVHUIZ-UHFFFAOYSA-N -1 3 373.376 2.886 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1nc3ccccc3cc1-c1nn[n-]n1)C2 ZINC000826500017 607937699 /nfs/dbraw/zinc/93/76/99/607937699.db2.gz IEHXKOXSFVHUIZ-UHFFFAOYSA-N -1 3 373.376 2.886 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1c(Cl)cccc1-c1nnn[n-]1)C2 ZINC000826500145 607937704 /nfs/dbraw/zinc/93/77/04/607937704.db2.gz MTIFDCAOKDQBAA-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1c(Cl)cccc1-c1nn[n-]n1)C2 ZINC000826500145 607937705 /nfs/dbraw/zinc/93/77/05/607937705.db2.gz MTIFDCAOKDQBAA-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM CC[C@H](SC)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825159152 608161367 /nfs/dbraw/zinc/16/13/67/608161367.db2.gz KCVPPENWSJVYEL-VIFPVBQESA-N -1 3 356.795 2.508 20 5 FFBDHM CC[C@H](SC)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825159152 608161368 /nfs/dbraw/zinc/16/13/68/608161368.db2.gz KCVPPENWSJVYEL-VIFPVBQESA-N -1 3 356.795 2.508 20 5 FFBDHM C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000824385518 608163024 /nfs/dbraw/zinc/16/30/24/608163024.db2.gz WAGOJSASBYXFJJ-SSDOTTSWSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000824385518 608163026 /nfs/dbraw/zinc/16/30/26/608163026.db2.gz WAGOJSASBYXFJJ-SSDOTTSWSA-N -1 3 350.766 2.803 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCc2nc3c(s2)CCCC3)c(-c2nnn[n-]2)c1 ZINC000826498645 608231410 /nfs/dbraw/zinc/23/14/10/608231410.db2.gz DGJKYWBJYUMNHX-UHFFFAOYSA-N -1 3 371.426 2.765 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCc2nc3c(s2)CCCC3)c(-c2nn[n-]n2)c1 ZINC000826498645 608231412 /nfs/dbraw/zinc/23/14/12/608231412.db2.gz DGJKYWBJYUMNHX-UHFFFAOYSA-N -1 3 371.426 2.765 20 5 FFBDHM O=[N+]([O-])c1cccc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826499550 608235088 /nfs/dbraw/zinc/23/50/88/608235088.db2.gz MZCNDJHRINFWOC-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1cccc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)c1 ZINC000826499550 608235090 /nfs/dbraw/zinc/23/50/90/608235090.db2.gz MZCNDJHRINFWOC-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000825812957 609314700 /nfs/dbraw/zinc/31/47/00/609314700.db2.gz YWEZFLJFGLQNCY-UHFFFAOYSA-N -1 3 374.307 2.530 20 5 FFBDHM CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000825812957 609314701 /nfs/dbraw/zinc/31/47/01/609314701.db2.gz YWEZFLJFGLQNCY-UHFFFAOYSA-N -1 3 374.307 2.530 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1F ZINC000824962160 609319140 /nfs/dbraw/zinc/31/91/40/609319140.db2.gz PKFWLEMKFKNFAH-RNCFNFMXSA-N -1 3 357.349 2.507 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1F ZINC000824962160 609319142 /nfs/dbraw/zinc/31/91/42/609319142.db2.gz PKFWLEMKFKNFAH-RNCFNFMXSA-N -1 3 357.349 2.507 20 5 FFBDHM Cc1nn(Cc2ccc(F)c(-c3nnn[n-]3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000826335032 609517836 /nfs/dbraw/zinc/51/78/36/609517836.db2.gz UXOQBVPHFSSMME-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM Cc1nn(Cc2ccc(F)c(-c3nn[n-]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000826335032 609517837 /nfs/dbraw/zinc/51/78/37/609517837.db2.gz UXOQBVPHFSSMME-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2COc3cc(F)cc(F)c32)c(-c2nnn[n-]2)c1 ZINC000826498874 609606485 /nfs/dbraw/zinc/60/64/85/609606485.db2.gz MXBAUSPSYZBZDP-GFCCVEGCSA-N -1 3 360.280 2.599 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2COc3cc(F)cc(F)c32)c(-c2nn[n-]n2)c1 ZINC000826498874 609606489 /nfs/dbraw/zinc/60/64/89/609606489.db2.gz MXBAUSPSYZBZDP-GFCCVEGCSA-N -1 3 360.280 2.599 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152655548 728762895 /nfs/dbraw/zinc/76/28/95/728762895.db2.gz MNVPPDSCFJQEMZ-UHFFFAOYSA-N -1 3 369.786 2.872 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000175659645 729099611 /nfs/dbraw/zinc/09/96/11/729099611.db2.gz IRMVBIYBJMNZOJ-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2c[nH]c(=O)c(C)c2)c1 ZINC000783846365 738841221 /nfs/dbraw/zinc/84/12/21/738841221.db2.gz MXOHIQRVRYUPTI-UHFFFAOYSA-N -1 3 357.775 2.766 20 5 FFBDHM Cc1c([O-])ccc2c(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)cc(=O)oc12 ZINC000736410265 734984835 /nfs/dbraw/zinc/98/48/35/734984835.db2.gz OJEADRLKJLVWRG-UHFFFAOYSA-N -1 3 362.725 2.579 20 5 FFBDHM COc1c([O-])ccc(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895468783 735011241 /nfs/dbraw/zinc/01/12/41/735011241.db2.gz MYRWZCDKVKIDNR-ONGXEEELSA-N -1 3 364.320 2.851 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)n1 ZINC000760319719 736629020 /nfs/dbraw/zinc/62/90/20/736629020.db2.gz UQLJBCAJRJMVSS-UHFFFAOYSA-N -1 3 361.738 2.592 20 5 FFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1cccc(Cl)c1 ZINC000768891030 737473642 /nfs/dbraw/zinc/47/36/42/737473642.db2.gz YUMJDLKTAFJEDO-VURMDHGXSA-N -1 3 354.775 2.560 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000921845820 738054390 /nfs/dbraw/zinc/05/43/90/738054390.db2.gz ANEBFFMICMKCSF-ABAIWWIYSA-N -1 3 374.846 2.732 20 5 FFBDHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778246994 738366442 /nfs/dbraw/zinc/36/64/42/738366442.db2.gz VBBPIHYCTBQDRT-UHFFFAOYSA-N -1 3 374.363 2.963 20 5 FFBDHM CC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000795199800 739981977 /nfs/dbraw/zinc/98/19/77/739981977.db2.gz MSGUVCZLMADTKT-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805109646 740939897 /nfs/dbraw/zinc/93/98/97/740939897.db2.gz GSDJBELBGOBQRB-NSHDSACASA-N -1 3 363.233 2.824 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1[N+](=O)[O-] ZINC000813757876 741760260 /nfs/dbraw/zinc/76/02/60/741760260.db2.gz ZHEOTURHVJXOBD-UHFFFAOYSA-N -1 3 371.396 2.778 20 5 FFBDHM CC(C)(C)OC(=O)N1CCCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853327726 750048517 /nfs/dbraw/zinc/04/85/17/750048517.db2.gz BOWNIFKIMJAKGI-LLVKDONJSA-N -1 3 352.391 2.897 20 5 FFBDHM Cc1c(NC(=O)CSc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822075330 945961852 /nfs/dbraw/zinc/96/18/52/945961852.db2.gz BWLRNISNXKHIHC-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1c(NC(=O)CSc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822075330 945961861 /nfs/dbraw/zinc/96/18/61/945961861.db2.gz BWLRNISNXKHIHC-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM CN1CCN(Cc2cccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2)CC1 ZINC001174507630 1013243395 /nfs/dbraw/zinc/24/33/95/1013243395.db2.gz PDWWHIQLOMPEDY-UHFFFAOYSA-N -1 3 370.409 2.784 20 5 FFBDHM CO[N-]C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000017821927 965191324 /nfs/dbraw/zinc/19/13/24/965191324.db2.gz JPPJYZPFMCXCKX-UHFFFAOYSA-N -1 3 352.350 2.668 20 5 FFBDHM CC(C)(N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000255425410 965626868 /nfs/dbraw/zinc/62/68/68/965626868.db2.gz LXZRLAOYSANNHH-WJDWOHSUSA-N -1 3 351.362 2.731 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913302352 984236329 /nfs/dbraw/zinc/23/63/29/984236329.db2.gz XFXJJJBSMTWGMO-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913302352 984236331 /nfs/dbraw/zinc/23/63/31/984236331.db2.gz XFXJJJBSMTWGMO-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM CC(C)(CC(F)(F)F)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001590649290 990337597 /nfs/dbraw/zinc/33/75/97/990337597.db2.gz WSBWMKPFGOPLAV-UHFFFAOYSA-N -1 3 350.293 2.879 20 5 FFBDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc([O-])cc(Br)c1 ZINC001136811653 996777411 /nfs/dbraw/zinc/77/74/11/996777411.db2.gz LKPWNGFVPZNZSP-UHFFFAOYSA-N -1 3 351.156 2.993 20 5 FFBDHM COc1cc(CN[C@@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001599414962 997490033 /nfs/dbraw/zinc/49/00/33/997490033.db2.gz BVVGWJAZZCYHBQ-LLVKDONJSA-N -1 3 372.324 2.510 20 5 FFBDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000786031158 1001520634 /nfs/dbraw/zinc/52/06/34/1001520634.db2.gz OQDCRXNPJRSDRY-MRVPVSSYSA-N -1 3 361.285 2.992 20 5 FFBDHM COC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1[O-] ZINC000746992372 1002626352 /nfs/dbraw/zinc/62/63/52/1002626352.db2.gz BJTYTLDMLRHOTC-UHFFFAOYSA-N -1 3 364.285 2.975 20 5 FFBDHM COc1cc(CNCc2ccc(N3CCCCC3)nc2)c([N+](=O)[O-])cc1[O-] ZINC001199321042 1004910050 /nfs/dbraw/zinc/91/00/50/1004910050.db2.gz TUZCRERLCJLLOD-UHFFFAOYSA-N -1 3 372.425 2.984 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)cc1C ZINC001195448898 1004962374 /nfs/dbraw/zinc/96/23/74/1004962374.db2.gz XKXBYMGHZYYEMK-UHFFFAOYSA-N -1 3 353.227 2.826 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC2)n1 ZINC000884705141 1007513375 /nfs/dbraw/zinc/51/33/75/1007513375.db2.gz ILUYPCAGKUZUBH-UHFFFAOYSA-N -1 3 365.340 2.663 20 5 FFBDHM CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000856794261 1007976755 /nfs/dbraw/zinc/97/67/55/1007976755.db2.gz PKQYZMMGKVVLDZ-DIFFPNOSSA-N -1 3 364.402 2.579 20 5 FFBDHM O=C1CCCc2ccc(-c3noc(-c4c[n-]c(=O)c([N+](=O)[O-])c4)n3)cc21 ZINC001212844530 1009560679 /nfs/dbraw/zinc/56/06/79/1009560679.db2.gz YSGCVWKJZKBWIU-UHFFFAOYSA-N -1 3 352.306 2.931 20 5 FFBDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2nc3nc(Cl)ccc3[n-]2)n1 ZINC001217552547 1032779360 /nfs/dbraw/zinc/77/93/60/1032779360.db2.gz KQBPQGBWTYMRLY-UHFFFAOYSA-N -1 3 361.680 2.771 20 5 FFBDHM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2nc3ccc(Cl)[n-]c-3n2)n1 ZINC001217552547 1032779378 /nfs/dbraw/zinc/77/93/78/1032779378.db2.gz KQBPQGBWTYMRLY-UHFFFAOYSA-N -1 3 361.680 2.771 20 5 FFBDHM COc1ccc(CC(=O)[N-]O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000749794437 1021035206 /nfs/dbraw/zinc/03/52/06/1021035206.db2.gz JGFTUMUGUWRPOO-GFCCVEGCSA-N -1 3 360.366 2.964 20 5 FFBDHM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000755021749 1023555587 /nfs/dbraw/zinc/55/55/87/1023555587.db2.gz QQAKRLYYKJNBHJ-PKNBQFBNSA-N -1 3 374.374 2.559 20 5 FFBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCC(C(C)(C)C)CC1 ZINC001123378209 1023767131 /nfs/dbraw/zinc/76/71/31/1023767131.db2.gz GIHBFPFKPLZQPK-UHFFFAOYSA-N -1 3 360.418 2.753 20 5 FFBDHM CCOc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000837385402 1025763187 /nfs/dbraw/zinc/76/31/87/1025763187.db2.gz XHVHTFHKVDQPEJ-UHFFFAOYSA-N -1 3 359.338 2.724 20 5 FFBDHM CCc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001141843502 1027035504 /nfs/dbraw/zinc/03/55/04/1027035504.db2.gz KJNTVTLBEWPJHQ-UHFFFAOYSA-N -1 3 352.354 2.513 20 5 FFBDHM CCc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001141843502 1027035509 /nfs/dbraw/zinc/03/55/09/1027035509.db2.gz KJNTVTLBEWPJHQ-UHFFFAOYSA-N -1 3 352.354 2.513 20 5 FFBDHM C[C@@H](C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001160955191 1027943463 /nfs/dbraw/zinc/94/34/63/1027943463.db2.gz OUYPNKMXPIDRRJ-SNVBAGLBSA-N -1 3 370.344 2.580 20 5 FFBDHM C[C@@H](C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001160955191 1027943475 /nfs/dbraw/zinc/94/34/75/1027943475.db2.gz OUYPNKMXPIDRRJ-SNVBAGLBSA-N -1 3 370.344 2.580 20 5 FFBDHM Cc1cc(F)cc(C(=O)[N-]c2cc(-c3nn[nH]n3)ccc2F)c1[N+](=O)[O-] ZINC001535493884 1069808922 /nfs/dbraw/zinc/80/89/22/1069808922.db2.gz ZQPKPWZVDMDMMM-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1C ZINC001535493865 1069809482 /nfs/dbraw/zinc/80/94/82/1069809482.db2.gz YZPFDZPXZGAMDA-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1C ZINC001535493865 1069809502 /nfs/dbraw/zinc/80/95/02/1069809502.db2.gz YZPFDZPXZGAMDA-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3nccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC001225665709 1034358788 /nfs/dbraw/zinc/35/87/88/1034358788.db2.gz DMDVGZAXWCXJFU-GRYCIOLGSA-N -1 3 365.386 2.862 20 5 FFBDHM COC(=O)[C@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC001227096858 1034933821 /nfs/dbraw/zinc/93/38/21/1034933821.db2.gz UBSJHMBUOQOAJD-CQSZACIVSA-N -1 3 373.296 2.676 20 5 FFBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693242 1035678092 /nfs/dbraw/zinc/67/80/92/1035678092.db2.gz PXRUOOBELIESJS-MWLCHTKSSA-N -1 3 363.374 2.500 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H](C(=O)c2ccccn2)c2ccccn2)c1[N+](=O)[O-] ZINC001228686688 1036257379 /nfs/dbraw/zinc/25/73/79/1036257379.db2.gz QFWXINWMUOAJHC-SFHVURJKSA-N -1 3 366.333 2.797 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3)C2)cc1[O-] ZINC001228809479 1036335876 /nfs/dbraw/zinc/33/58/76/1036335876.db2.gz GHAUNSSUBWTSGR-AWEZNQCLSA-N -1 3 372.377 2.740 20 5 FFBDHM COc1cc(N2CCN(C)CC2)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394642 1039519129 /nfs/dbraw/zinc/51/91/29/1039519129.db2.gz DZEJSAVDQHJDKV-UHFFFAOYSA-N -1 3 358.398 2.804 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001309794873 1043528961 /nfs/dbraw/zinc/52/89/61/1043528961.db2.gz OJIBTWRRCNXGHL-VXNVDRBHSA-N -1 3 358.725 2.786 20 5 FFBDHM CC(C)c1ccc(CN[C@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001320748812 1045460901 /nfs/dbraw/zinc/46/09/01/1045460901.db2.gz LCKSUUWENSFSOJ-CQSZACIVSA-N -1 3 366.805 2.811 20 5 FFBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001541028438 1071044962 /nfs/dbraw/zinc/04/49/62/1071044962.db2.gz LDJNPADBHGPYGA-UHFFFAOYSA-N -1 3 359.288 2.645 20 5 FFBDHM O=C([N-]Cc1nc2ccccc2c(=O)[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001298792536 1050531929 /nfs/dbraw/zinc/53/19/29/1050531929.db2.gz NRVHVUJGYNZZAR-UHFFFAOYSA-N -1 3 374.303 2.652 20 5 FFBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])[N-]OCc1ccccn1 ZINC001299114871 1050593925 /nfs/dbraw/zinc/59/39/25/1050593925.db2.gz BQKCZGJYENLJCH-UHFFFAOYSA-N -1 3 351.746 2.660 20 5 FFBDHM COc1cccc(-n2cc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)nn2)c1 ZINC001349885143 1055520417 /nfs/dbraw/zinc/52/04/17/1055520417.db2.gz HKPQNRKZPFNKEK-UHFFFAOYSA-N -1 3 357.301 2.576 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001544665486 1071675166 /nfs/dbraw/zinc/67/51/66/1071675166.db2.gz KHFCADBYWSKNSI-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001544665486 1071675171 /nfs/dbraw/zinc/67/51/71/1071675171.db2.gz KHFCADBYWSKNSI-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM CCc1noc(CC)c1C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584600 1060315461 /nfs/dbraw/zinc/31/54/61/1060315461.db2.gz CLJMISJIMHYVDE-UHFFFAOYSA-N -1 3 369.324 2.996 20 5 FFBDHM CCc1ncc(Cl)c(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC001457616420 1060413572 /nfs/dbraw/zinc/41/35/72/1060413572.db2.gz YYTXSBFWHYIQNZ-UHFFFAOYSA-N -1 3 373.760 2.638 20 5 FFBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC001475110078 1060948831 /nfs/dbraw/zinc/94/88/31/1060948831.db2.gz OYOCLZPPYWBRLV-UHFFFAOYSA-N -1 3 372.349 2.669 20 5 FFBDHM COc1cc(CNc2cccc(CN3CCOC3=O)c2)c([N+](=O)[O-])cc1[O-] ZINC001461079932 1061205045 /nfs/dbraw/zinc/20/50/45/1061205045.db2.gz VGUCGAASTVEBPI-UHFFFAOYSA-N -1 3 373.365 2.873 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001528094330 1061746685 /nfs/dbraw/zinc/74/66/85/1061746685.db2.gz XEEDZHUVEZETLD-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001528094330 1061746705 /nfs/dbraw/zinc/74/67/05/1061746705.db2.gz XEEDZHUVEZETLD-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)nc1 ZINC001462896906 1061829005 /nfs/dbraw/zinc/82/90/05/1061829005.db2.gz FCBLDJWUKFQOFT-ZDUSSCGKSA-N -1 3 353.787 2.609 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCCC1 ZINC001463266822 1062020914 /nfs/dbraw/zinc/02/09/14/1062020914.db2.gz AAUGWLNZICIQHN-UHFFFAOYSA-N -1 3 374.434 2.918 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCOc2cccc(F)c2)c(F)cc1[N+](=O)[O-] ZINC001464515499 1062660281 /nfs/dbraw/zinc/66/02/81/1062660281.db2.gz VIVMCKCSBGHUFQ-UHFFFAOYSA-N -1 3 372.349 2.539 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC001524362712 1062814849 /nfs/dbraw/zinc/81/48/49/1062814849.db2.gz CJWOYPWUMTWYFN-UHFFFAOYSA-N -1 3 370.408 2.711 20 5 FFBDHM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCc2c(=O)[n-]cnc21 ZINC001438687028 1063035809 /nfs/dbraw/zinc/03/58/09/1063035809.db2.gz PPPVMLCZNYVBTA-UHFFFAOYSA-N -1 3 356.363 2.898 20 5 FFBDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001575189352 1078114991 /nfs/dbraw/zinc/11/49/91/1078114991.db2.gz OSTILAAAOLETRS-SNVBAGLBSA-N -1 3 370.344 2.731 20 5 FFBDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001575189352 1078114994 /nfs/dbraw/zinc/11/49/94/1078114994.db2.gz OSTILAAAOLETRS-SNVBAGLBSA-N -1 3 370.344 2.731 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](C)N(C)c2ccccc2)c([N+](=O)[O-])s1 ZINC001474881948 1065636713 /nfs/dbraw/zinc/63/67/13/1065636713.db2.gz SJJMWQIHTMQGTJ-NSHDSACASA-N -1 3 369.468 2.768 20 5 FFBDHM COc1cc(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])ccc1C ZINC001474994874 1065667235 /nfs/dbraw/zinc/66/72/35/1065667235.db2.gz GMDKOCOCOVHVET-UHFFFAOYSA-N -1 3 370.452 2.803 20 5 FFBDHM CC[C@H](OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001578476731 1078477884 /nfs/dbraw/zinc/47/78/84/1078477884.db2.gz FEYSNQAALSULMQ-HNNXBMFYSA-N -1 3 368.353 2.786 20 5 FFBDHM CC[C@H](OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1cccc([N+](=O)[O-])c1 ZINC001578476731 1078477889 /nfs/dbraw/zinc/47/78/89/1078477889.db2.gz FEYSNQAALSULMQ-HNNXBMFYSA-N -1 3 368.353 2.786 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001580561416 1078827122 /nfs/dbraw/zinc/82/71/22/1078827122.db2.gz AZSUOCCDYWDZFH-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001580561416 1078827131 /nfs/dbraw/zinc/82/71/31/1078827131.db2.gz AZSUOCCDYWDZFH-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001581045042 1078911022 /nfs/dbraw/zinc/91/10/22/1078911022.db2.gz XSEAVXAYJCRORO-UHFFFAOYSA-N -1 3 356.298 2.571 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001581045042 1078911029 /nfs/dbraw/zinc/91/10/29/1078911029.db2.gz XSEAVXAYJCRORO-UHFFFAOYSA-N -1 3 356.298 2.571 20 5 FFBDHM COc1cccc(-c2cc(C(=O)[N-]c3ncc([N+](=O)[O-])cc3OC)on2)c1 ZINC001583235468 1079182639 /nfs/dbraw/zinc/18/26/39/1079182639.db2.gz MQYPIJHYASQIJW-UHFFFAOYSA-N -1 3 370.321 2.914 20 5 FFBDHM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1[O-] ZINC001556853545 1075781911 /nfs/dbraw/zinc/78/19/11/1075781911.db2.gz LNLHXOHAYIJILY-UHFFFAOYSA-N -1 3 358.306 2.527 20 5 FFBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001558189618 1075958794 /nfs/dbraw/zinc/95/87/94/1075958794.db2.gz MWFYVDYGDZJXAF-UHFFFAOYSA-N -1 3 372.356 2.582 20 5 FFBDHM C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001559289195 1076146697 /nfs/dbraw/zinc/14/66/97/1076146697.db2.gz LTIMCPFMBVGOLJ-ZETCQYMHSA-N -1 3 352.276 2.875 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001561414921 1076373653 /nfs/dbraw/zinc/37/36/53/1076373653.db2.gz JVLDTINGSHBWRR-OLZOCXBDSA-N -1 3 374.434 2.914 20 5 FFBDHM Cc1cc(C)c(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cn1 ZINC001561651532 1076402985 /nfs/dbraw/zinc/40/29/85/1076402985.db2.gz OLHOKHWIUAQHFG-UHFFFAOYSA-N -1 3 353.375 2.533 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2c(F)cc(F)cc2F)c([N+](=O)[O-])s1 ZINC001561905983 1076442185 /nfs/dbraw/zinc/44/21/85/1076442185.db2.gz MCKDJAZWCALFHB-UHFFFAOYSA-N -1 3 366.342 2.861 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(=S)[nH]1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001563397185 1076550340 /nfs/dbraw/zinc/55/03/40/1076550340.db2.gz XWXGNOGYMDCLHD-UHFFFAOYSA-N -1 3 371.378 2.854 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588770019 1080186904 /nfs/dbraw/zinc/18/69/04/1080186904.db2.gz DEDLVMSAQBOBTN-ZHACJKMWSA-N -1 3 351.322 2.784 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588770019 1080186910 /nfs/dbraw/zinc/18/69/10/1080186910.db2.gz DEDLVMSAQBOBTN-ZHACJKMWSA-N -1 3 351.322 2.784 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001588907024 1080254593 /nfs/dbraw/zinc/25/45/93/1080254593.db2.gz AOWOBQYTSMMOHW-UHFFFAOYSA-N -1 3 367.369 2.502 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001588907024 1080254602 /nfs/dbraw/zinc/25/46/02/1080254602.db2.gz AOWOBQYTSMMOHW-UHFFFAOYSA-N -1 3 367.369 2.502 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n1 ZINC001589202714 1080415529 /nfs/dbraw/zinc/41/55/29/1080415529.db2.gz NMSVLVSOZGSWLL-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n1 ZINC001589202714 1080415535 /nfs/dbraw/zinc/41/55/35/1080415535.db2.gz NMSVLVSOZGSWLL-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)c1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001589227367 1080431953 /nfs/dbraw/zinc/43/19/53/1080431953.db2.gz UAAKMUZXXYGKDH-UHFFFAOYSA-N -1 3 355.358 2.653 20 5 FFBDHM CC(C)(C)c1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001589227367 1080431957 /nfs/dbraw/zinc/43/19/57/1080431957.db2.gz UAAKMUZXXYGKDH-UHFFFAOYSA-N -1 3 355.358 2.653 20 5 FFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001589251467 1080447356 /nfs/dbraw/zinc/44/73/56/1080447356.db2.gz MRTCCASRRGFVKC-UHFFFAOYSA-N -1 3 369.385 2.513 20 5 FFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC001589251467 1080447361 /nfs/dbraw/zinc/44/73/61/1080447361.db2.gz MRTCCASRRGFVKC-UHFFFAOYSA-N -1 3 369.385 2.513 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1cccc(F)c1 ZINC001589293285 1080467334 /nfs/dbraw/zinc/46/73/34/1080467334.db2.gz TXTHQUJEGNXJAU-UHFFFAOYSA-N -1 3 371.376 2.886 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1cccc(F)c1 ZINC001589293285 1080467341 /nfs/dbraw/zinc/46/73/41/1080467341.db2.gz TXTHQUJEGNXJAU-UHFFFAOYSA-N -1 3 371.376 2.886 20 5 FFBDHM CC(C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589317388 1080480075 /nfs/dbraw/zinc/48/00/75/1080480075.db2.gz MVOJWJWMMVREKW-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM CC(C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589317388 1080480078 /nfs/dbraw/zinc/48/00/78/1080480078.db2.gz MVOJWJWMMVREKW-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM CC(C)[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001589476689 1080552844 /nfs/dbraw/zinc/55/28/44/1080552844.db2.gz SXCVETAUPWPJEO-IRXDYDNUSA-N -1 3 368.397 2.945 20 5 FFBDHM CC(C)[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001589476689 1080552853 /nfs/dbraw/zinc/55/28/53/1080552853.db2.gz SXCVETAUPWPJEO-IRXDYDNUSA-N -1 3 368.397 2.945 20 5 FFBDHM CC(C)CN(c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC001589628914 1080642662 /nfs/dbraw/zinc/64/26/62/1080642662.db2.gz QPOMPXQFSYBUDB-UHFFFAOYSA-N -1 3 353.386 2.948 20 5 FFBDHM CC(C)CN(c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC001589628914 1080642663 /nfs/dbraw/zinc/64/26/63/1080642663.db2.gz QPOMPXQFSYBUDB-UHFFFAOYSA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589920244 1080860792 /nfs/dbraw/zinc/86/07/92/1080860792.db2.gz WYAGUOHTIDVDTQ-VXGBXAGGSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589920244 1080860803 /nfs/dbraw/zinc/86/08/03/1080860803.db2.gz WYAGUOHTIDVDTQ-VXGBXAGGSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@]1(c2ccccc2)CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590152559 1081053333 /nfs/dbraw/zinc/05/33/33/1081053333.db2.gz DDWYYNQBEQIWFT-GOSISDBHSA-N -1 3 350.382 2.943 20 5 FFBDHM C[C@H]1C[C@H](c2cccnc2)N(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590213881 1081096243 /nfs/dbraw/zinc/09/62/43/1081096243.db2.gz FRBVOLWQDKDJEE-XHDPSFHLSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@H]1C[C@H](c2cccnc2)N(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590213881 1081096249 /nfs/dbraw/zinc/09/62/49/1081096249.db2.gz FRBVOLWQDKDJEE-XHDPSFHLSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@H]1C[C@@H](c2cccnc2)N(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590215397 1081098192 /nfs/dbraw/zinc/09/81/92/1081098192.db2.gz VCZYVYMGDCQTQD-NHYWBVRUSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@H]1C[C@@H](c2cccnc2)N(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590215397 1081098196 /nfs/dbraw/zinc/09/81/96/1081098196.db2.gz VCZYVYMGDCQTQD-NHYWBVRUSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC001590276147 1081135840 /nfs/dbraw/zinc/13/58/40/1081135840.db2.gz JOHUKRADWWPDRJ-SNVBAGLBSA-N -1 3 371.426 2.655 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC001590276147 1081135841 /nfs/dbraw/zinc/13/58/41/1081135841.db2.gz JOHUKRADWWPDRJ-SNVBAGLBSA-N -1 3 371.426 2.655 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000192616667 251295955 /nfs/dbraw/zinc/29/59/55/251295955.db2.gz DAWBEFRTVDMULL-VHSXEESVSA-N -1 3 352.334 2.994 20 5 FFBDHM O=C(Nc1ncc(C2(O)CCCCC2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290102984 257315287 /nfs/dbraw/zinc/31/52/87/257315287.db2.gz HUXMYFYDWDGQJE-UHFFFAOYSA-N -1 3 364.383 2.556 20 5 FFBDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000330626735 258166977 /nfs/dbraw/zinc/16/69/77/258166977.db2.gz JJANCMPCHLTNRE-YPMHNXCESA-N -1 3 362.835 2.730 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccc(C)cc1C ZINC000065278286 506280653 /nfs/dbraw/zinc/28/06/53/506280653.db2.gz SNOCHGJNTJUPTH-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c(F)c1 ZINC000409884330 512160429 /nfs/dbraw/zinc/16/04/29/512160429.db2.gz JEDYAYQMCXRGEI-UHFFFAOYSA-N -1 3 352.334 2.838 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cccc2[nH]ccc21 ZINC000409928024 512168889 /nfs/dbraw/zinc/16/88/89/512168889.db2.gz MDEKLDNTSXHFHL-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022463933 507293907 /nfs/dbraw/zinc/29/39/07/507293907.db2.gz PPGTYPJFULGHTM-QGZVFWFLSA-N -1 3 355.394 2.867 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000068937961 507365638 /nfs/dbraw/zinc/36/56/38/507365638.db2.gz KYMYXZZIKKVKPR-CYBMUJFWSA-N -1 3 366.370 2.844 20 5 FFBDHM Cc1ccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c([O-])c1C ZINC000048384067 507513117 /nfs/dbraw/zinc/51/31/17/507513117.db2.gz VAYPXOXQDBRUOZ-UHFFFAOYSA-N -1 3 355.394 2.880 20 5 FFBDHM CC(C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000026388658 507583805 /nfs/dbraw/zinc/58/38/05/507583805.db2.gz QTRXOYLCYDBHSD-UHFFFAOYSA-N -1 3 358.354 2.520 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(F)cc1 ZINC000028332748 507720493 /nfs/dbraw/zinc/72/04/93/507720493.db2.gz LTAOCMJQAVCFDJ-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000029940224 507796534 /nfs/dbraw/zinc/79/65/34/507796534.db2.gz CCYWYHTUVOJYCS-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000109053210 507934584 /nfs/dbraw/zinc/93/45/84/507934584.db2.gz WDPSOBOQGXEHKD-UHFFFAOYSA-N -1 3 370.770 2.610 20 5 FFBDHM O=C(Nc1ccccc1[O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111546522 508108308 /nfs/dbraw/zinc/10/83/08/508108308.db2.gz SMDUXUBQPUFZPB-NSHDSACASA-N -1 3 361.379 2.605 20 5 FFBDHM CCc1nc([N-]C(=O)c2ccc(F)cc2[N+](=O)[O-])sc1C(=O)OC ZINC000127206792 508415167 /nfs/dbraw/zinc/41/51/67/508415167.db2.gz VGVVONBDQQQVRM-UHFFFAOYSA-N -1 3 353.331 2.792 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000123090624 508635074 /nfs/dbraw/zinc/63/50/74/508635074.db2.gz TXRDDTNDRYJURB-UHFFFAOYSA-N -1 3 361.489 2.508 20 5 FFBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124122382 508786237 /nfs/dbraw/zinc/78/62/37/508786237.db2.gz WQIKOYGPXXHAJF-ZJUUUORDSA-N -1 3 350.487 2.917 20 5 FFBDHM O=C([N-]c1nnc(C(F)F)s1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000144505299 508839235 /nfs/dbraw/zinc/83/92/35/508839235.db2.gz QSXKDKZNOZWART-UHFFFAOYSA-N -1 3 366.309 2.822 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)c1ccc(C)cc1 ZINC000159677292 508874929 /nfs/dbraw/zinc/87/49/29/508874929.db2.gz QWJJWLXIOQQXJE-ZDUSSCGKSA-N -1 3 364.423 2.994 20 5 FFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000125203898 508947227 /nfs/dbraw/zinc/94/72/27/508947227.db2.gz AHHOKIQRJKSQLP-UHFFFAOYSA-N -1 3 361.470 2.943 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)cc1[N+](=O)[O-] ZINC000125682378 509016119 /nfs/dbraw/zinc/01/61/19/509016119.db2.gz QSCIEHKTSUPXPK-UHFFFAOYSA-N -1 3 370.456 2.755 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000151478068 509025656 /nfs/dbraw/zinc/02/56/56/509025656.db2.gz LESDHPNNADHTBD-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000151493433 509028805 /nfs/dbraw/zinc/02/88/05/509028805.db2.gz PNLJJZBIBNVFTC-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM CCNc1nc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000132473600 509037104 /nfs/dbraw/zinc/03/71/04/509037104.db2.gz UEQLQNZBKNQGAR-UHFFFAOYSA-N -1 3 359.371 2.521 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000120773578 509061864 /nfs/dbraw/zinc/06/18/64/509061864.db2.gz XYBZKYWFVPRZBR-UHFFFAOYSA-N -1 3 372.772 2.533 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000120773578 509061866 /nfs/dbraw/zinc/06/18/66/509061866.db2.gz XYBZKYWFVPRZBR-UHFFFAOYSA-N -1 3 372.772 2.533 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2F)c(C(F)(F)F)c1 ZINC000120859224 509077502 /nfs/dbraw/zinc/07/75/02/509077502.db2.gz PTSRTYKPPLGOFD-UHFFFAOYSA-N -1 3 365.264 2.949 20 5 FFBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000248572167 509372912 /nfs/dbraw/zinc/37/29/12/509372912.db2.gz SNITUXQCCSORRC-QEJZJMRPSA-N -1 3 372.381 2.863 20 5 FFBDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185847458 509384530 /nfs/dbraw/zinc/38/45/30/509384530.db2.gz QNVWDRPWTSZJBU-CYBMUJFWSA-N -1 3 353.425 2.789 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000186158886 509551557 /nfs/dbraw/zinc/55/15/57/509551557.db2.gz ZZIJGOLCGHMQJX-GFCCVEGCSA-N -1 3 362.835 2.876 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000170735514 509747054 /nfs/dbraw/zinc/74/70/54/509747054.db2.gz GWILVYJAQSMYAO-AWEZNQCLSA-N -1 3 350.396 2.569 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000186585248 509785828 /nfs/dbraw/zinc/78/58/28/509785828.db2.gz VRRNGDGNBLTBFT-DYVFJYSZSA-N -1 3 363.439 2.565 20 5 FFBDHM CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180190244 509801825 /nfs/dbraw/zinc/80/18/25/509801825.db2.gz NGPJAIBBRJIOKI-UHFFFAOYSA-N -1 3 357.410 2.941 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c1[N+](=O)[O-] ZINC000190016996 509887249 /nfs/dbraw/zinc/88/72/49/509887249.db2.gz QNJNPCJXPYFZGY-AWEZNQCLSA-N -1 3 365.455 2.850 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000268989686 510179573 /nfs/dbraw/zinc/17/95/73/510179573.db2.gz RRWLCFSICNUTPN-NSHDSACASA-N -1 3 374.846 2.937 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1 ZINC000190950090 510430622 /nfs/dbraw/zinc/43/06/22/510430622.db2.gz JAERLLQSGKKGEC-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000184757517 510503304 /nfs/dbraw/zinc/50/33/04/510503304.db2.gz PBFNKSXQEMUMGI-CYBMUJFWSA-N -1 3 353.400 2.770 20 5 FFBDHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1[N+](=O)[O-] ZINC000181764072 510579015 /nfs/dbraw/zinc/57/90/15/510579015.db2.gz DOONRAMCIMUNPG-HNNXBMFYSA-N -1 3 369.377 2.852 20 5 FFBDHM CC[C@H](C(=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000191398091 510641100 /nfs/dbraw/zinc/64/11/00/510641100.db2.gz JUALTXOGVMVUFR-LLVKDONJSA-N -1 3 361.320 2.599 20 5 FFBDHM CCOc1cc([N-]C(=O)c2nn(CC)nc2C)c([N+](=O)[O-])cc1OCC ZINC000298093086 511172256 /nfs/dbraw/zinc/17/22/56/511172256.db2.gz NJTSWCPVQVUSCU-UHFFFAOYSA-N -1 3 363.374 2.564 20 5 FFBDHM COc1cc(CNc2cnn(C3CCOCC3)c2C)c([N+](=O)[O-])cc1[O-] ZINC000295116767 511287524 /nfs/dbraw/zinc/28/75/24/511287524.db2.gz MOSOCEWLLHUYNI-UHFFFAOYSA-N -1 3 362.386 2.778 20 5 FFBDHM CCc1cc(=O)[n-]c(CSCCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000283678504 511457962 /nfs/dbraw/zinc/45/79/62/511457962.db2.gz YZSNSQBAYHHWFY-UHFFFAOYSA-N -1 3 362.411 2.915 20 5 FFBDHM COc1cc(C(=O)[N-]OCCC(F)(F)F)c([N+](=O)[O-])cc1OC(F)F ZINC000275021846 512018344 /nfs/dbraw/zinc/01/83/44/512018344.db2.gz AEKQQXDXVNSDFC-UHFFFAOYSA-N -1 3 374.218 2.819 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000375878942 512550705 /nfs/dbraw/zinc/55/07/05/512550705.db2.gz WNFPIZDGUPRGRZ-YOEHRIQHSA-N -1 3 362.407 2.651 20 5 FFBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cn3)c2)n1 ZINC000370512050 512972032 /nfs/dbraw/zinc/97/20/32/512972032.db2.gz CDUGFEDHPHQORZ-UHFFFAOYSA-N -1 3 365.349 2.967 20 5 FFBDHM O=C(Nc1ccccc1[O-])C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413032602 513395353 /nfs/dbraw/zinc/39/53/53/513395353.db2.gz KKHOOTULBYZZGZ-UHFFFAOYSA-N -1 3 360.345 2.690 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435597469 513629532 /nfs/dbraw/zinc/62/95/32/513629532.db2.gz LSYVCKOJCWJPOK-HDJSIYSDSA-N -1 3 362.407 2.828 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000436027034 513739890 /nfs/dbraw/zinc/73/98/90/513739890.db2.gz KSXGQDNGQYCXNW-UHFFFAOYSA-N -1 3 363.326 2.583 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCc2cccnc2)c([N+](=O)[O-])c1 ZINC000416529569 513818592 /nfs/dbraw/zinc/81/85/92/513818592.db2.gz CKJHPJGGTONDDC-AWEZNQCLSA-N -1 3 363.439 2.988 20 5 FFBDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CC1 ZINC000416587074 513850170 /nfs/dbraw/zinc/85/01/70/513850170.db2.gz HOYLBTULGQEONG-WBMJQRKESA-N -1 3 356.444 2.694 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C1CC1 ZINC000416588418 513851983 /nfs/dbraw/zinc/85/19/83/513851983.db2.gz QXKHAVPORIENNN-TZMCWYRMSA-N -1 3 354.428 2.708 20 5 FFBDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416599590 513858076 /nfs/dbraw/zinc/85/80/76/513858076.db2.gz PNGUZYMZICTAEL-LKFCYVNXSA-N -1 3 362.835 2.730 20 5 FFBDHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1[O-] ZINC000436517425 513881147 /nfs/dbraw/zinc/88/11/47/513881147.db2.gz XUENARJDQARNDS-UHFFFAOYSA-N -1 3 360.322 2.656 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2cc(C)cc(OC)c2[O-])cc([N+](=O)[O-])c1 ZINC000436536636 513889935 /nfs/dbraw/zinc/88/99/35/513889935.db2.gz NJPDLZANCHOMKI-UHFFFAOYSA-N -1 3 360.322 2.656 20 5 FFBDHM Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)c(F)cc1[N+](=O)[O-] ZINC000436627339 513922311 /nfs/dbraw/zinc/92/23/11/513922311.db2.gz SPAJIDZZRGKECY-UHFFFAOYSA-N -1 3 359.357 2.710 20 5 FFBDHM O=c1c2ccccc2n(Cc2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000436715637 513954516 /nfs/dbraw/zinc/95/45/16/513954516.db2.gz PUDHLZZNAJPLTD-UHFFFAOYSA-N -1 3 364.317 2.714 20 5 FFBDHM C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1Cc1ccccc1 ZINC000436748820 513967008 /nfs/dbraw/zinc/96/70/08/513967008.db2.gz HMFSDDWQJCCOQK-CXAGYDPISA-N -1 3 355.394 2.693 20 5 FFBDHM COc1cc(CCNC(=O)c2ccc(C)cc2[O-])c([N+](=O)[O-])cc1OC ZINC000436758235 513969142 /nfs/dbraw/zinc/96/91/42/513969142.db2.gz WJLUSXQKFFMKGJ-UHFFFAOYSA-N -1 3 360.366 2.599 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436768364 513971912 /nfs/dbraw/zinc/97/19/12/513971912.db2.gz JZUIIQPLCWOABK-SNVBAGLBSA-N -1 3 354.322 2.841 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000451804176 513990424 /nfs/dbraw/zinc/99/04/24/513990424.db2.gz RYIOYRPUJJFRCF-NSHDSACASA-N -1 3 374.846 2.876 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c1C ZINC000451806017 513992083 /nfs/dbraw/zinc/99/20/83/513992083.db2.gz WDAKFVPVLYRCPI-CQSZACIVSA-N -1 3 368.455 2.839 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000451815568 513998860 /nfs/dbraw/zinc/99/88/60/513998860.db2.gz HSUFKSHNVZWZGU-AAEUAGOBSA-N -1 3 362.473 2.694 20 5 FFBDHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436861588 514012898 /nfs/dbraw/zinc/01/28/98/514012898.db2.gz LLDPWJUQRHEBQH-KRWDZBQOSA-N -1 3 355.394 2.867 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c1C ZINC000452032217 514147169 /nfs/dbraw/zinc/14/71/69/514147169.db2.gz WAPNKJYDGQBDNM-UHFFFAOYSA-N -1 3 351.384 2.556 20 5 FFBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000444216932 514157179 /nfs/dbraw/zinc/15/71/79/514157179.db2.gz CWELIGIEOALWHD-BDAKNGLRSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1ccnc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)n1 ZINC000445001492 514385208 /nfs/dbraw/zinc/38/52/08/514385208.db2.gz URKOHBRLPIGIHU-UHFFFAOYSA-N -1 3 367.321 2.838 20 5 FFBDHM COCc1cccc2sc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc21 ZINC000445170744 514434675 /nfs/dbraw/zinc/43/46/75/514434675.db2.gz DFRKMPFHKAFGLS-UHFFFAOYSA-N -1 3 360.351 2.704 20 5 FFBDHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497773850 514631921 /nfs/dbraw/zinc/63/19/21/514631921.db2.gz ASFDIMGQXLKNCM-JTQLQIEISA-N -1 3 372.349 2.619 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000480049481 514823528 /nfs/dbraw/zinc/82/35/28/514823528.db2.gz UTFMOJKKDPLHLK-AWEZNQCLSA-N -1 3 368.411 2.861 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000467042835 514874961 /nfs/dbraw/zinc/87/49/61/514874961.db2.gz CVKPCTFSWPNFHB-LERXQTSPSA-N -1 3 372.468 2.591 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000467067256 514884943 /nfs/dbraw/zinc/88/49/43/514884943.db2.gz ZRXXOAMHNKCKPC-ZYHUDNBSSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000467066554 514885487 /nfs/dbraw/zinc/88/54/87/514885487.db2.gz WKWDOLSAJHHLMM-LLVKDONJSA-N -1 3 352.393 2.571 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000467081160 514891565 /nfs/dbraw/zinc/89/15/65/514891565.db2.gz KZJURDDBSRJEQU-VIFPVBQESA-N -1 3 356.425 2.580 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2C=CCCC2)c1 ZINC000467128890 514907248 /nfs/dbraw/zinc/90/72/48/514907248.db2.gz VVPZMPBVKHLNJP-JTQLQIEISA-N -1 3 361.217 2.744 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cccc(F)c1F ZINC000489720494 514949350 /nfs/dbraw/zinc/94/93/50/514949350.db2.gz YDBXXRBUEPUAQG-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2F)c(F)c1 ZINC000489720477 514950083 /nfs/dbraw/zinc/95/00/83/514950083.db2.gz XWYJUSADQLIZJA-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000467409385 514999202 /nfs/dbraw/zinc/99/92/02/514999202.db2.gz WSBVLWHOGLXQKL-WDEREUQCSA-N -1 3 361.489 2.506 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000467417455 515000488 /nfs/dbraw/zinc/00/04/88/515000488.db2.gz JZFDDXYVDKVNGD-NSHDSACASA-N -1 3 372.399 2.906 20 5 FFBDHM O=C(c1cc(F)cc2[n-]nnc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000503748499 515136094 /nfs/dbraw/zinc/13/60/94/515136094.db2.gz OSUNMIHTGKFKRD-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM O=C(c1cc(F)cc2nn[n-]c21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000503748499 515136103 /nfs/dbraw/zinc/13/61/03/515136103.db2.gz OSUNMIHTGKFKRD-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000503748499 515136115 /nfs/dbraw/zinc/13/61/15/515136115.db2.gz OSUNMIHTGKFKRD-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM CCCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000462679735 515184719 /nfs/dbraw/zinc/18/47/19/515184719.db2.gz NZJIVSBOOBFXEN-LBPRGKRZSA-N -1 3 372.443 2.774 20 5 FFBDHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000462710264 515206556 /nfs/dbraw/zinc/20/65/56/515206556.db2.gz LJZMFKZJGDNNDZ-SNVBAGLBSA-N -1 3 356.375 2.935 20 5 FFBDHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000462719494 515211230 /nfs/dbraw/zinc/21/12/30/515211230.db2.gz FMSONYQNRWDSFH-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM O=C([N-]c1cc(N2CCNC2=O)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC000468211300 515266008 /nfs/dbraw/zinc/26/60/08/515266008.db2.gz KFKWQMGQNVBXST-UHFFFAOYSA-N -1 3 350.331 2.577 20 5 FFBDHM CN1CC[C@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccccc1 ZINC000485990449 515287930 /nfs/dbraw/zinc/28/79/30/515287930.db2.gz NYSZWLQNCNURJC-IRXDYDNUSA-N -1 3 365.393 2.924 20 5 FFBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491189294 515392383 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362.411 2.711 20 5 FFBDHM CCSc1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000487658243 515938428 /nfs/dbraw/zinc/93/84/28/515938428.db2.gz MCBAJIIHXYNWEL-UHFFFAOYSA-N -1 3 354.369 2.539 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cc(F)ccc1F ZINC000474215471 515938682 /nfs/dbraw/zinc/93/86/82/515938682.db2.gz UFAGRDORSLYLRQ-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c(F)c1 ZINC000474311467 515986570 /nfs/dbraw/zinc/98/65/70/515986570.db2.gz ZGFLMVXCYQYDLI-GFCCVEGCSA-N -1 3 372.761 2.799 20 5 FFBDHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000507328432 516174016 /nfs/dbraw/zinc/17/40/16/516174016.db2.gz HPWJBMGIKUKVHC-LBPRGKRZSA-N -1 3 373.450 2.523 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCOC2CCCCC2)c([N+](=O)[O-])c1 ZINC000507535966 516234273 /nfs/dbraw/zinc/23/42/73/516234273.db2.gz VEFQQFMHHNZQEU-UHFFFAOYSA-N -1 3 356.444 2.921 20 5 FFBDHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000497354560 516312239 /nfs/dbraw/zinc/31/22/39/516312239.db2.gz JCGSNXIWODFFAJ-GFCCVEGCSA-N -1 3 350.396 2.513 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000512702397 516329915 /nfs/dbraw/zinc/32/99/15/516329915.db2.gz FKNGVYHPDQXDBD-CJNGLKHVSA-N -1 3 355.394 2.866 20 5 FFBDHM CCc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000522973043 516363772 /nfs/dbraw/zinc/36/37/72/516363772.db2.gz GBSRRUXACVXEQH-UHFFFAOYSA-N -1 3 352.387 2.817 20 5 FFBDHM COC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000554300828 516373816 /nfs/dbraw/zinc/37/38/16/516373816.db2.gz BMUJHTLYDDRTBI-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccn(-c2ccccc2)n1 ZINC000523161867 516400681 /nfs/dbraw/zinc/40/06/81/516400681.db2.gz SAIJKOBWOOXYOS-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM O=C(COCc1ccccc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523546612 516503709 /nfs/dbraw/zinc/50/37/09/516503709.db2.gz BSEUOTJMXYRAOL-UHFFFAOYSA-N -1 3 352.350 2.562 20 5 FFBDHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3ccccc3[N+](=O)[O-])c[n-]c12 ZINC000547767366 516551330 /nfs/dbraw/zinc/55/13/30/516551330.db2.gz WTTPLEBELXYRJZ-UHFFFAOYSA-N -1 3 369.352 2.856 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000523765386 516573578 /nfs/dbraw/zinc/57/35/78/516573578.db2.gz FDTCGXPTLDNKMC-UHFFFAOYSA-N -1 3 368.798 2.662 20 5 FFBDHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000558096938 516592754 /nfs/dbraw/zinc/59/27/54/516592754.db2.gz YZDVMQDAUZJCQU-NSHDSACASA-N -1 3 363.867 2.647 20 5 FFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)CO2 ZINC000531912082 516707754 /nfs/dbraw/zinc/70/77/54/516707754.db2.gz FVPUHSIBRKRJMM-HNNXBMFYSA-N -1 3 362.407 2.932 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC000554970894 516726777 /nfs/dbraw/zinc/72/67/77/516726777.db2.gz SYVIWHJQIHVYDJ-UHFFFAOYSA-N -1 3 356.350 2.974 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)c1C ZINC000555413974 516916105 /nfs/dbraw/zinc/91/61/05/516916105.db2.gz UTVGEOOVMQNHPC-HNNXBMFYSA-N -1 3 370.471 2.679 20 5 FFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)CO2 ZINC000559090324 517077511 /nfs/dbraw/zinc/07/75/11/517077511.db2.gz BYFQTYBDLSKQGQ-CQSZACIVSA-N -1 3 362.407 2.932 20 5 FFBDHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000515581333 517411453 /nfs/dbraw/zinc/41/14/53/517411453.db2.gz LSKQOHFLSUAQKQ-CQSZACIVSA-N -1 3 359.338 2.506 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2[C@H](C)CCC[C@@H]2C)cc1C ZINC000552883157 517427307 /nfs/dbraw/zinc/42/73/07/517427307.db2.gz RBMOIROKOFJXGV-GASCZTMLSA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000515732596 517459848 /nfs/dbraw/zinc/45/98/48/517459848.db2.gz HBIVTRTWPFTUOB-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000538537524 517660524 /nfs/dbraw/zinc/66/05/24/517660524.db2.gz PROVMFZQJJQJFL-ZIAGYGMSSA-N -1 3 356.444 2.775 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000516573332 517751076 /nfs/dbraw/zinc/75/10/76/517751076.db2.gz WFGNNGGCUUMFCD-JSGCOSHPSA-N -1 3 356.382 2.935 20 5 FFBDHM Cc1c(C(=O)[O-])cnn1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000563290628 517797541 /nfs/dbraw/zinc/79/75/41/517797541.db2.gz YFBQUISLIFXGGN-UHFFFAOYSA-N -1 3 374.397 2.514 20 5 FFBDHM O=C(N=c1[nH][n-]cc1Br)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000560550771 517890096 /nfs/dbraw/zinc/89/00/96/517890096.db2.gz NOHRDRWAZBCKFK-UHFFFAOYSA-N -1 3 367.184 2.969 20 5 FFBDHM Cc1ccc([O-])c(NC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000543372782 518052442 /nfs/dbraw/zinc/05/24/42/518052442.db2.gz AVBSJZCYGVBKGI-UHFFFAOYSA-N -1 3 354.322 2.570 20 5 FFBDHM CC(C)c1scnc1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000578697731 518330856 /nfs/dbraw/zinc/33/08/56/518330856.db2.gz QHXZJJXRTVYDAQ-UHFFFAOYSA-N -1 3 369.424 2.831 20 5 FFBDHM O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)c1c[nH]nc1[N+](=O)[O-] ZINC000567182002 518392458 /nfs/dbraw/zinc/39/24/58/518392458.db2.gz VFXVURBEXVEYQD-UHFFFAOYSA-N -1 3 365.252 2.827 20 5 FFBDHM CS[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000567197041 518399528 /nfs/dbraw/zinc/39/95/28/518399528.db2.gz GMQZAYIRHVUTRZ-GFCCVEGCSA-N -1 3 350.437 2.790 20 5 FFBDHM CCCN(CC)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000589307556 518978332 /nfs/dbraw/zinc/97/83/32/518978332.db2.gz VVDYVERQIJIRTI-NSHDSACASA-N -1 3 363.867 2.647 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c(C(F)(F)F)c1 ZINC000571545988 519151063 /nfs/dbraw/zinc/15/10/63/519151063.db2.gz UUVBHBDUCNTPAF-JGVFFNPUSA-N -1 3 356.297 2.783 20 5 FFBDHM CC(=O)c1sc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000577589684 519154879 /nfs/dbraw/zinc/15/48/79/519154879.db2.gz FEXRAIPMUJURHC-UHFFFAOYSA-N -1 3 357.351 2.896 20 5 FFBDHM CN(c1ccccc1)c1ccc(CN[C@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000580471296 519193314 /nfs/dbraw/zinc/19/33/14/519193314.db2.gz LPYAPAHGNNHPNI-LJQANCHMSA-N -1 3 371.393 2.696 20 5 FFBDHM CCc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1[O-] ZINC000569097329 519375545 /nfs/dbraw/zinc/37/55/45/519375545.db2.gz KIEJUEXFMKYNMC-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM CC[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)CC(F)(F)F ZINC000591331891 519594242 /nfs/dbraw/zinc/59/42/42/519594242.db2.gz JKABZMLZJJXPFC-VIFPVBQESA-N -1 3 370.349 2.860 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594488863 519999224 /nfs/dbraw/zinc/99/92/24/519999224.db2.gz WMBQNHKJTWMWFY-ZFWWWQNUSA-N -1 3 356.444 2.838 20 5 FFBDHM COc1cc(CN[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])cc1OC ZINC000594539543 520018252 /nfs/dbraw/zinc/01/82/52/520018252.db2.gz BWDJQNWAVSZKGE-WCFLWFBJSA-N -1 3 366.414 2.837 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])CC(F)F ZINC000594794171 520160891 /nfs/dbraw/zinc/16/08/91/520160891.db2.gz KVWYMBHTKKBPOA-SECBINFHSA-N -1 3 359.354 2.713 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000592099036 520182916 /nfs/dbraw/zinc/18/29/16/520182916.db2.gz QMAWHFBFMAKFRQ-INIZCTEOSA-N -1 3 368.455 2.535 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CC=CC2)cc1[N+](=O)[O-] ZINC000592102095 520184799 /nfs/dbraw/zinc/18/47/99/520184799.db2.gz PZZOZADDNDEKEC-CQSZACIVSA-N -1 3 374.484 2.596 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]1c1ccccc1 ZINC000594871644 520201365 /nfs/dbraw/zinc/20/13/65/520201365.db2.gz PNVIKFRHOVLBPU-ZIAGYGMSSA-N -1 3 362.407 2.828 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C12CC(c3ccccc3)(C1)C2 ZINC000603417348 520256475 /nfs/dbraw/zinc/25/64/75/520256475.db2.gz GOTZEZVMOOWDJP-UHFFFAOYSA-N -1 3 374.418 2.756 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(Cl)c1 ZINC000604021003 520429505 /nfs/dbraw/zinc/42/95/05/520429505.db2.gz GFUSCORUBKMRIC-UHFFFAOYSA-N -1 3 351.167 2.973 20 5 FFBDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598194346 520483887 /nfs/dbraw/zinc/48/38/87/520483887.db2.gz FWUAWGCXRYWHRB-KRWDZBQOSA-N -1 3 369.421 2.689 20 5 FFBDHM CCc1ccccc1C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000610135695 520554275 /nfs/dbraw/zinc/55/42/75/520554275.db2.gz HSUJKLQUKKZUPE-UHFFFAOYSA-N -1 3 350.396 2.644 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610231385 520591736 /nfs/dbraw/zinc/59/17/36/520591736.db2.gz RMFUKTQOGUBMDE-UHFFFAOYSA-N -1 3 352.734 2.709 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610231385 520591739 /nfs/dbraw/zinc/59/17/39/520591739.db2.gz RMFUKTQOGUBMDE-UHFFFAOYSA-N -1 3 352.734 2.709 20 5 FFBDHM O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613913640 520725026 /nfs/dbraw/zinc/72/50/26/520725026.db2.gz SCKUCTUIZXBKLF-MRXNPFEDSA-N -1 3 369.421 2.942 20 5 FFBDHM CSc1ccncc1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000610545249 520733276 /nfs/dbraw/zinc/73/32/76/520733276.db2.gz HILSXSJDAPIPGM-UHFFFAOYSA-N -1 3 356.367 2.545 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2CCN(C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000601365510 520759581 /nfs/dbraw/zinc/75/95/81/520759581.db2.gz UQHJICYSGZRGPG-UHFFFAOYSA-N -1 3 373.500 2.650 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601383472 520767273 /nfs/dbraw/zinc/76/72/73/520767273.db2.gz QLQMXWBADHFKLG-JQWIXIFHSA-N -1 3 362.473 2.837 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000593590093 521094683 /nfs/dbraw/zinc/09/46/83/521094683.db2.gz XXZMJAXAQNNMIU-OCCSQVGLSA-N -1 3 365.386 2.744 20 5 FFBDHM C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000593605516 521102785 /nfs/dbraw/zinc/10/27/85/521102785.db2.gz IEPMRQDRYAIOJA-QGZVFWFLSA-N -1 3 361.423 2.680 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCOCC1 ZINC000593630651 521120270 /nfs/dbraw/zinc/12/02/70/521120270.db2.gz YBJOUTCMIALVNC-HNNXBMFYSA-N -1 3 374.846 2.732 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2COc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000599373661 521182515 /nfs/dbraw/zinc/18/25/15/521182515.db2.gz DLOXULLILKPYGQ-NSHDSACASA-N -1 3 368.436 2.555 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[n-]1 ZINC000619448914 521572990 /nfs/dbraw/zinc/57/29/90/521572990.db2.gz LCOMXRHNYAIVOW-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c[n-]1 ZINC000619448914 521572998 /nfs/dbraw/zinc/57/29/98/521572998.db2.gz LCOMXRHNYAIVOW-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000619477648 521588537 /nfs/dbraw/zinc/58/85/37/521588537.db2.gz SDMNWEBTPUVUBB-ZYHUDNBSSA-N -1 3 366.395 2.798 20 5 FFBDHM COc1cccc(O[C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821871989 599062383 /nfs/dbraw/zinc/06/23/83/599062383.db2.gz HIYCOGGFQVCBMY-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM COc1cccc(O[C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821871989 599062386 /nfs/dbraw/zinc/06/23/86/599062386.db2.gz HIYCOGGFQVCBMY-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM Cc1ccc(C(C)(C)CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822227358 599063504 /nfs/dbraw/zinc/06/35/04/599063504.db2.gz GEYIRGTXZAFRNB-UHFFFAOYSA-N -1 3 367.413 2.892 20 5 FFBDHM Cc1ccc(C(C)(C)CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822227358 599063507 /nfs/dbraw/zinc/06/35/07/599063507.db2.gz GEYIRGTXZAFRNB-UHFFFAOYSA-N -1 3 367.413 2.892 20 5 FFBDHM Cc1ccccc1O[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822366857 599066172 /nfs/dbraw/zinc/06/61/72/599066172.db2.gz WGKFWLVGSJMREE-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1ccccc1O[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822366857 599066175 /nfs/dbraw/zinc/06/61/75/599066175.db2.gz WGKFWLVGSJMREE-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820286558 599080720 /nfs/dbraw/zinc/08/07/20/599080720.db2.gz CIJLKMPNBAXMJL-GFCCVEGCSA-N -1 3 354.370 2.792 20 5 FFBDHM C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820286558 599080722 /nfs/dbraw/zinc/08/07/22/599080722.db2.gz CIJLKMPNBAXMJL-GFCCVEGCSA-N -1 3 354.370 2.792 20 5 FFBDHM Cc1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822075721 607269670 /nfs/dbraw/zinc/26/96/70/607269670.db2.gz IEWGHPUAEXOXDO-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822075721 607269671 /nfs/dbraw/zinc/26/96/71/607269671.db2.gz IEWGHPUAEXOXDO-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822092774 607287492 /nfs/dbraw/zinc/28/74/92/607287492.db2.gz ZACDTVHTJVFNJE-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1c(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822092774 607287493 /nfs/dbraw/zinc/28/74/93/607287493.db2.gz ZACDTVHTJVFNJE-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820220784 607331660 /nfs/dbraw/zinc/33/16/60/607331660.db2.gz XSHQKLNWFMLHIC-APPDUMDISA-N -1 3 366.381 2.603 20 5 FFBDHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820220784 607331661 /nfs/dbraw/zinc/33/16/61/607331661.db2.gz XSHQKLNWFMLHIC-APPDUMDISA-N -1 3 366.381 2.603 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCO[C@@H](c2ccccc2)C1 ZINC000738358784 598310841 /nfs/dbraw/zinc/31/08/41/598310841.db2.gz OUHVFPPSBWJAIK-QGZVFWFLSA-N -1 3 366.381 2.743 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCO[C@@H](c2ccccc2)C1 ZINC000738358784 598310843 /nfs/dbraw/zinc/31/08/43/598310843.db2.gz OUHVFPPSBWJAIK-QGZVFWFLSA-N -1 3 366.381 2.743 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738370887 598538409 /nfs/dbraw/zinc/53/84/09/598538409.db2.gz RNRCGMSEOZIQDI-LLVKDONJSA-N -1 3 352.354 2.753 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738370887 598538411 /nfs/dbraw/zinc/53/84/11/598538411.db2.gz RNRCGMSEOZIQDI-LLVKDONJSA-N -1 3 352.354 2.753 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737798183 598779624 /nfs/dbraw/zinc/77/96/24/598779624.db2.gz GRFOSDBJANWCNQ-HJWRWDBZSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737798183 598779625 /nfs/dbraw/zinc/77/96/25/598779625.db2.gz GRFOSDBJANWCNQ-HJWRWDBZSA-N -1 3 369.312 2.671 20 5 FFBDHM COC(=O)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736919925 598797490 /nfs/dbraw/zinc/79/74/90/598797490.db2.gz ZTTVLEGQPXMIQN-UHFFFAOYSA-N -1 3 368.353 2.624 20 5 FFBDHM COC(=O)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736919925 598797491 /nfs/dbraw/zinc/79/74/91/598797491.db2.gz ZTTVLEGQPXMIQN-UHFFFAOYSA-N -1 3 368.353 2.624 20 5 FFBDHM CC[C@H](C[C@@H](C)CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820882360 599360083 /nfs/dbraw/zinc/36/00/83/599360083.db2.gz PQUYYFMENFTKLG-GHMZBOCLSA-N -1 3 371.401 2.532 20 5 FFBDHM CC[C@H](C[C@@H](C)CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820882360 599360087 /nfs/dbraw/zinc/36/00/87/599360087.db2.gz PQUYYFMENFTKLG-GHMZBOCLSA-N -1 3 371.401 2.532 20 5 FFBDHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736231109 599472572 /nfs/dbraw/zinc/47/25/72/599472572.db2.gz BAWRKWMMXWRHOX-JQWIXIFHSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736231109 599472576 /nfs/dbraw/zinc/47/25/76/599472576.db2.gz BAWRKWMMXWRHOX-JQWIXIFHSA-N -1 3 369.360 2.691 20 5 FFBDHM Cc1ncsc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822481711 599526559 /nfs/dbraw/zinc/52/65/59/599526559.db2.gz CHFGSIQEFWSLJW-UHFFFAOYSA-N -1 3 368.382 2.700 20 5 FFBDHM Cc1ncsc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822481711 599526560 /nfs/dbraw/zinc/52/65/60/599526560.db2.gz CHFGSIQEFWSLJW-UHFFFAOYSA-N -1 3 368.382 2.700 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832973064 601651702 /nfs/dbraw/zinc/65/17/02/601651702.db2.gz UZQCTMFEGQIMTF-FZKQIMNGSA-N -1 3 371.393 2.893 20 5 FFBDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820557282 606327290 /nfs/dbraw/zinc/32/72/90/606327290.db2.gz XUHFXQBHUZOXCN-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820557282 606327292 /nfs/dbraw/zinc/32/72/92/606327292.db2.gz XUHFXQBHUZOXCN-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820803705 606475259 /nfs/dbraw/zinc/47/52/59/606475259.db2.gz GBWKRTDXDGUNJU-SJCJKPOMSA-N -1 3 366.381 2.741 20 5 FFBDHM C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820803705 606475261 /nfs/dbraw/zinc/47/52/61/606475261.db2.gz GBWKRTDXDGUNJU-SJCJKPOMSA-N -1 3 366.381 2.741 20 5 FFBDHM CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(CC)CC ZINC000821359526 606477296 /nfs/dbraw/zinc/47/72/96/606477296.db2.gz NVUJXAPHFVLZSR-CHWSQXEVSA-N -1 3 361.406 2.566 20 5 FFBDHM CCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(CC)CC ZINC000821359526 606477297 /nfs/dbraw/zinc/47/72/97/606477297.db2.gz NVUJXAPHFVLZSR-CHWSQXEVSA-N -1 3 361.406 2.566 20 5 FFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823331177 606484512 /nfs/dbraw/zinc/48/45/12/606484512.db2.gz BLPPHOYBZSCJIB-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823331177 606484514 /nfs/dbraw/zinc/48/45/14/606484514.db2.gz BLPPHOYBZSCJIB-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823651802 606596166 /nfs/dbraw/zinc/59/61/66/606596166.db2.gz RBFSRBAXNDVRFT-RKDXNWHRSA-N -1 3 371.323 2.951 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823651802 606596168 /nfs/dbraw/zinc/59/61/68/606596168.db2.gz RBFSRBAXNDVRFT-RKDXNWHRSA-N -1 3 371.323 2.951 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC(F)(F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644617 606882861 /nfs/dbraw/zinc/88/28/61/606882861.db2.gz JMDMUBAFPKEVGD-MRVPVSSYSA-N -1 3 361.312 2.923 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC(F)(F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644617 606882863 /nfs/dbraw/zinc/88/28/63/606882863.db2.gz JMDMUBAFPKEVGD-MRVPVSSYSA-N -1 3 361.312 2.923 20 5 FFBDHM COc1cccc2c1CC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821877803 607119409 /nfs/dbraw/zinc/11/94/09/607119409.db2.gz VVDFOJQDMSBSNR-ZDUSSCGKSA-N -1 3 352.354 2.883 20 5 FFBDHM COc1cccc2c1CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821877803 607119411 /nfs/dbraw/zinc/11/94/11/607119411.db2.gz VVDFOJQDMSBSNR-ZDUSSCGKSA-N -1 3 352.354 2.883 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3nnn[n-]3)cc1C)CC2 ZINC000826245833 608336720 /nfs/dbraw/zinc/33/67/20/608336720.db2.gz JMHDGEIXKOXTEW-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(-c3nn[n-]n3)cc1C)CC2 ZINC000826245833 608336721 /nfs/dbraw/zinc/33/67/21/608336721.db2.gz JMHDGEIXKOXTEW-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000824893051 608444608 /nfs/dbraw/zinc/44/46/08/608444608.db2.gz OVPCRSMJLJBEMT-JGPRNRPPSA-N -1 3 369.385 2.691 20 5 FFBDHM C[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000824893051 608444610 /nfs/dbraw/zinc/44/46/10/608444610.db2.gz OVPCRSMJLJBEMT-JGPRNRPPSA-N -1 3 369.385 2.691 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc([N+](=O)[O-])ccc1OC ZINC000825480863 609177836 /nfs/dbraw/zinc/17/78/36/609177836.db2.gz OLSDCCBMSQJFFH-UHFFFAOYSA-N -1 3 369.385 2.827 20 5 FFBDHM COCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155584 609322612 /nfs/dbraw/zinc/32/26/12/609322612.db2.gz VBSFFHITFQKGJY-CQSZACIVSA-N -1 3 358.358 2.866 20 5 FFBDHM COCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155584 609322614 /nfs/dbraw/zinc/32/26/14/609322614.db2.gz VBSFFHITFQKGJY-CQSZACIVSA-N -1 3 358.358 2.866 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCOC1 ZINC000824650578 609564447 /nfs/dbraw/zinc/56/44/47/609564447.db2.gz RYEJWJVLNZGCRP-WDEREUQCSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCOC1 ZINC000824650578 609564448 /nfs/dbraw/zinc/56/44/48/609564448.db2.gz RYEJWJVLNZGCRP-WDEREUQCSA-N -1 3 369.385 2.550 20 5 FFBDHM O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC000152702860 728764089 /nfs/dbraw/zinc/76/40/89/728764089.db2.gz DTMVURDOMOBTCP-UHFFFAOYSA-N -1 3 351.746 2.660 20 5 FFBDHM CC(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000158085415 728882244 /nfs/dbraw/zinc/88/22/44/728882244.db2.gz GJLSHRLHSMKJBC-UHFFFAOYSA-N -1 3 351.222 2.682 20 5 FFBDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000159431287 728907027 /nfs/dbraw/zinc/90/70/27/728907027.db2.gz NWWSPXSVGIWJIW-CQSZACIVSA-N -1 3 370.814 2.569 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)c(Cl)c1 ZINC000123168896 728656100 /nfs/dbraw/zinc/65/61/00/728656100.db2.gz JLRNCVUFFXKCSU-CQSZACIVSA-N -1 3 370.814 2.650 20 5 FFBDHM CC[C@H](C)c1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000125572369 728685195 /nfs/dbraw/zinc/68/51/95/728685195.db2.gz OJILSPRJYCBIKM-NSHDSACASA-N -1 3 350.400 2.809 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2csc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000736194497 734978073 /nfs/dbraw/zinc/97/80/73/734978073.db2.gz DZMHLIDSFOZSAO-UHFFFAOYSA-N -1 3 351.296 2.603 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)ccc1F ZINC000790169105 739424303 /nfs/dbraw/zinc/42/43/03/739424303.db2.gz FMMMPCAJXVJVID-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM O=Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2[O-])c([N+](=O)[O-])c1 ZINC000759698791 736587081 /nfs/dbraw/zinc/58/70/81/736587081.db2.gz UXYLKNOPBMQPAH-UHFFFAOYSA-N -1 3 350.714 2.784 20 5 FFBDHM COC(=O)c1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1[O-] ZINC000759710428 736588077 /nfs/dbraw/zinc/58/80/77/736588077.db2.gz SOJMXJGGDXEWFU-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(Cl)n1 ZINC000760326002 736629927 /nfs/dbraw/zinc/62/99/27/736629927.db2.gz XNXYPLWZTHQKJO-UHFFFAOYSA-N -1 3 357.775 2.761 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000917127708 737742555 /nfs/dbraw/zinc/74/25/55/737742555.db2.gz KLMAGPOXTMBMPI-UHFFFAOYSA-N -1 3 360.311 2.602 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCOC2)c(Cl)c1 ZINC000921854934 738056964 /nfs/dbraw/zinc/05/69/64/738056964.db2.gz NXILTJAHWFPYIJ-IAQYHMDHSA-N -1 3 374.846 2.732 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(Cl)ccn1 ZINC000775594607 738104555 /nfs/dbraw/zinc/10/45/55/738104555.db2.gz IJFXNUNVEUQWNA-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM O=C(COC(=O)c1cccc(Cl)c1[O-])Nc1cc([N+](=O)[O-])ccc1F ZINC000775934927 738144598 /nfs/dbraw/zinc/14/45/98/738144598.db2.gz SHLDMMUGIZRPES-UHFFFAOYSA-N -1 3 368.704 2.888 20 5 FFBDHM COC(=O)C1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000777923847 738331734 /nfs/dbraw/zinc/33/17/34/738331734.db2.gz OGPUJTFRGIQKDN-UHFFFAOYSA-N -1 3 356.325 2.679 20 5 FFBDHM Cc1nc(C)c(CC(=O)OCc2ccc([N+](=O)[O-])cc2Cl)c(=O)[n-]1 ZINC000778331306 738372901 /nfs/dbraw/zinc/37/29/01/738372901.db2.gz QMZSXPURIZZJLT-UHFFFAOYSA-N -1 3 351.746 2.647 20 5 FFBDHM COc1cc(C=Cc2nccc(=O)[n-]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000778518950 738390331 /nfs/dbraw/zinc/39/03/31/738390331.db2.gz JRSKBDHNRREAML-NSCUHMNNSA-N -1 3 353.281 2.913 20 5 FFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1 ZINC000797845157 740279897 /nfs/dbraw/zinc/27/98/97/740279897.db2.gz VSSATBOKSRGUTQ-UHFFFAOYSA-N -1 3 369.830 2.993 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1CCCCS1 ZINC000826450423 743386447 /nfs/dbraw/zinc/38/64/47/743386447.db2.gz LPEDGMSFVUGXNP-SNVBAGLBSA-N -1 3 368.806 2.653 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1CCCCS1 ZINC000826450423 743386451 /nfs/dbraw/zinc/38/64/51/743386451.db2.gz LPEDGMSFVUGXNP-SNVBAGLBSA-N -1 3 368.806 2.653 20 5 FFBDHM O=C([N-]C[C@H]1CC1(Cl)Cl)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580528 748965488 /nfs/dbraw/zinc/96/54/88/748965488.db2.gz XFOMAKKVZFQZIH-SSDOTTSWSA-N -1 3 355.124 2.876 20 5 FFBDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736191104 944758405 /nfs/dbraw/zinc/75/84/05/944758405.db2.gz HZCBLBQCCFXCLJ-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736191104 944758411 /nfs/dbraw/zinc/75/84/11/944758411.db2.gz HZCBLBQCCFXCLJ-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM CCc1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476515 945704800 /nfs/dbraw/zinc/70/48/00/945704800.db2.gz OZRCIXSFPUPBDL-UHFFFAOYSA-N -1 3 366.381 2.610 20 5 FFBDHM CCc1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821476515 945704808 /nfs/dbraw/zinc/70/48/08/945704808.db2.gz OZRCIXSFPUPBDL-UHFFFAOYSA-N -1 3 366.381 2.610 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784961534 960493145 /nfs/dbraw/zinc/49/31/45/960493145.db2.gz YNJJECCMUOSMFM-UHFFFAOYSA-N -1 3 371.305 2.716 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c(F)c1F ZINC001211518515 964386635 /nfs/dbraw/zinc/38/66/35/964386635.db2.gz QWSDHJZUKFDPCA-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC001270536333 965213562 /nfs/dbraw/zinc/21/35/62/965213562.db2.gz PDHFYBIZHCDOFD-UHFFFAOYSA-N -1 3 368.367 2.551 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCCCC1 ZINC001211576384 967434539 /nfs/dbraw/zinc/43/45/39/967434539.db2.gz ROLCDOQEAOEVFW-UHFFFAOYSA-N -1 3 360.407 2.670 20 5 FFBDHM C[C@](CO)(Cc1ccc(F)cc1)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592734154 979259195 /nfs/dbraw/zinc/25/91/95/979259195.db2.gz RQLKEZXGRCCYPR-GOSISDBHSA-N -1 3 362.357 2.515 20 5 FFBDHM COc1cccc2c(C(=O)OCCOc3ccc([N+](=O)[O-])cc3)n[n-]c21 ZINC000808674899 994218814 /nfs/dbraw/zinc/21/88/14/994218814.db2.gz QFYAXKLCDOEQGK-UHFFFAOYSA-N -1 3 357.322 2.716 20 5 FFBDHM COc1cccc2c(C(=O)OCCOc3ccc([N+](=O)[O-])cc3)[n-]nc21 ZINC000808674899 994218826 /nfs/dbraw/zinc/21/88/26/994218826.db2.gz QFYAXKLCDOEQGK-UHFFFAOYSA-N -1 3 357.322 2.716 20 5 FFBDHM CC(C)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000844209110 997727334 /nfs/dbraw/zinc/72/73/34/997727334.db2.gz SXDXNIUICQDLQQ-UHFFFAOYSA-N -1 3 370.409 2.937 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c([O-])c1 ZINC000740927453 999692256 /nfs/dbraw/zinc/69/22/56/999692256.db2.gz DASLBPXFVPAVSY-UHFFFAOYSA-N -1 3 374.349 2.667 20 5 FFBDHM COc1cnc(F)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000846788437 1000430892 /nfs/dbraw/zinc/43/08/92/1000430892.db2.gz CAKAYWGJRFMEJU-UHFFFAOYSA-N -1 3 363.301 2.551 20 5 FFBDHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001191848007 1003980610 /nfs/dbraw/zinc/98/06/10/1003980610.db2.gz MGIBWGIJCRJZGG-LLVKDONJSA-N -1 3 362.423 2.772 20 5 FFBDHM COc1ccc(F)cc1CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001194726892 1004804422 /nfs/dbraw/zinc/80/44/22/1004804422.db2.gz IYPOVEIIVMKPSV-UHFFFAOYSA-N -1 3 374.415 2.633 20 5 FFBDHM CN(C)c1nc(Br)cnc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199814715 1005034628 /nfs/dbraw/zinc/03/46/28/1005034628.db2.gz NQISRKDARDZOIL-UHFFFAOYSA-N -1 3 354.164 2.663 20 5 FFBDHM COC(=O)c1scc(Nc2cc([O-])cc([N+](=O)[O-])c2)c1C(=O)OC ZINC001199814902 1005034931 /nfs/dbraw/zinc/03/49/31/1005034931.db2.gz QBNSHLZWXGYELY-UHFFFAOYSA-N -1 3 352.324 2.679 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])s1 ZINC001187538349 1006132623 /nfs/dbraw/zinc/13/26/23/1006132623.db2.gz SEAIPFQNNGEKSM-DGCLKSJQSA-N -1 3 362.473 2.694 20 5 FFBDHM Cc1c(C[N-]S(=O)(=O)c2ccc(Cl)nc2F)cccc1[N+](=O)[O-] ZINC001189221766 1006956978 /nfs/dbraw/zinc/95/69/78/1006956978.db2.gz YDBXNKMKEJYEDX-UHFFFAOYSA-N -1 3 359.766 2.569 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000886656372 1008799152 /nfs/dbraw/zinc/79/91/52/1008799152.db2.gz BXRYMYYYTHUFLE-CQSZACIVSA-N -1 3 357.414 2.590 20 5 FFBDHM C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc(C(F)(F)F)n[n-]1 ZINC001179176680 1009280252 /nfs/dbraw/zinc/28/02/52/1009280252.db2.gz IBLWUIARYNTFJJ-LURJTMIESA-N -1 3 368.275 2.704 20 5 FFBDHM Cc1nc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)ccc1F ZINC001212838046 1009472559 /nfs/dbraw/zinc/47/25/59/1009472559.db2.gz HNCYHLGDSWQROQ-UHFFFAOYSA-N -1 3 369.110 2.640 20 5 FFBDHM Cc1nc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)ccc1F ZINC001212838046 1009472566 /nfs/dbraw/zinc/47/25/66/1009472566.db2.gz HNCYHLGDSWQROQ-UHFFFAOYSA-N -1 3 369.110 2.640 20 5 FFBDHM COC(=O)CN(CCc1ccccc1)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001180338553 1009638994 /nfs/dbraw/zinc/63/89/94/1009638994.db2.gz DSOJMNHEEFYXLI-UHFFFAOYSA-N -1 3 374.393 2.527 20 5 FFBDHM O=c1ccc(O)c2oc3cc([O-])cc(O[C@@H]4CCCC[NH2+]C4)c3c([O-])c1-2 ZINC001217972964 1032927408 /nfs/dbraw/zinc/92/74/08/1032927408.db2.gz AXWWMPOQMLBGLU-LLVKDONJSA-N -1 3 357.362 2.584 20 5 FFBDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837732559 1025990442 /nfs/dbraw/zinc/99/04/42/1025990442.db2.gz NOFLBVXKRSHJAI-UHFFFAOYSA-N -1 3 365.292 2.532 20 5 FFBDHM O=c1cc(CNc2ncnc3sc([N+](=O)[O-])cc32)nc(C2CCC2)[n-]1 ZINC001163831067 1029083676 /nfs/dbraw/zinc/08/36/76/1029083676.db2.gz JFBNDWHNQLTKCT-UHFFFAOYSA-N -1 3 358.383 2.975 20 5 FFBDHM COc1cc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC001157524153 1029607212 /nfs/dbraw/zinc/60/72/12/1029607212.db2.gz KMPLQZHHLOGPRU-NSHDSACASA-N -1 3 360.366 2.851 20 5 FFBDHM COC(=O)c1nc(Cl)nc([N-][C@@H](C2CCC2)C(F)(F)F)c1[N+](=O)[O-] ZINC001158400378 1029819484 /nfs/dbraw/zinc/81/94/84/1029819484.db2.gz TVIZDGFIYVPZJD-QMMMGPOBSA-N -1 3 368.699 2.968 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001149788545 1031593196 /nfs/dbraw/zinc/59/31/96/1031593196.db2.gz CTNAHKXMLJLKME-UHFFFAOYSA-N -1 3 356.382 2.607 20 5 FFBDHM O=c1nc2nccnc2c(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001226989786 1034903347 /nfs/dbraw/zinc/90/33/47/1034903347.db2.gz MYNZVPPBSPEJOZ-JTQLQIEISA-N -1 3 367.243 2.716 20 5 FFBDHM CCCCOC[C@@H](C)OC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690208 1035676212 /nfs/dbraw/zinc/67/62/12/1035676212.db2.gz HEMZUGFTEQMPBA-NEPJUHHUSA-N -1 3 352.391 2.855 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228688204 1036256829 /nfs/dbraw/zinc/25/68/29/1036256829.db2.gz GEXSFGKYDYGSOX-QJPTWQEYSA-N -1 3 365.386 2.781 20 5 FFBDHM COC(=O)c1nc[n-]c(=O)c1O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001233759916 1036750852 /nfs/dbraw/zinc/75/08/52/1036750852.db2.gz RYHUMNQSIFSFAZ-NSHDSACASA-N -1 3 373.243 2.559 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1CCc2nccn2C1 ZINC001234878455 1037220216 /nfs/dbraw/zinc/22/02/16/1037220216.db2.gz VODOGDPKDSLHPL-SECBINFHSA-N -1 3 354.160 2.653 20 5 FFBDHM NC(=O)c1nc(Br)cnc1[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC001248598118 1040336236 /nfs/dbraw/zinc/33/62/36/1040336236.db2.gz HBZJLPGRHRINOS-UHFFFAOYSA-N -1 3 372.566 2.643 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001213399119 1040512963 /nfs/dbraw/zinc/51/29/63/1040512963.db2.gz VGXHKWBRUCLDFN-OAHLLOKOSA-N -1 3 374.434 2.916 20 5 FFBDHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC001213838329 1040982803 /nfs/dbraw/zinc/98/28/03/1040982803.db2.gz IDRSBCMRHZHCDI-SNVBAGLBSA-N -1 3 360.407 2.606 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001213996331 1041145612 /nfs/dbraw/zinc/14/56/12/1041145612.db2.gz UAOYKXRDGHYEBK-LBPRGKRZSA-N -1 3 364.427 2.631 20 5 FFBDHM C[S@](=O)(=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC001538080528 1070336787 /nfs/dbraw/zinc/33/67/87/1070336787.db2.gz UPXIWSAPPBXDEC-RUZDIDTESA-N -1 3 362.342 2.907 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2C=CCC2)c1 ZINC001309804625 1043535318 /nfs/dbraw/zinc/53/53/18/1043535318.db2.gz APVWHFVMWFUWHK-VIFPVBQESA-N -1 3 361.217 2.602 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c1C ZINC001309840444 1043549786 /nfs/dbraw/zinc/54/97/86/1043549786.db2.gz CENDHFBFRBINHV-VHSXEESVSA-N -1 3 352.334 2.688 20 5 FFBDHM O=C([N-]OCCCC(F)(F)F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC001302858738 1051216313 /nfs/dbraw/zinc/21/63/13/1051216313.db2.gz CFIHCLGGMAIYHQ-UHFFFAOYSA-N -1 3 359.260 2.853 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(F)cc1[N+](=O)[O-] ZINC001309251449 1052584494 /nfs/dbraw/zinc/58/44/94/1052584494.db2.gz ZOSYWNFIYDGYQC-VCTAVGKDSA-N -1 3 372.418 2.524 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)C)C2(C)C)c(F)cc1[N+](=O)[O-] ZINC001309381298 1052609082 /nfs/dbraw/zinc/60/90/82/1052609082.db2.gz LTFNWSORCNHNNC-GJZGRUSLSA-N -1 3 374.434 2.913 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001544996466 1071720277 /nfs/dbraw/zinc/72/02/77/1071720277.db2.gz LZPPGDPKZAABGZ-JTQLQIEISA-N -1 3 360.395 2.550 20 5 FFBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001450052208 1058966512 /nfs/dbraw/zinc/96/65/12/1058966512.db2.gz UQUIRTOKJPUNMD-UHFFFAOYSA-N -1 3 370.321 2.590 20 5 FFBDHM O=C([N-]Cc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(F)(F)C1(O)CCC1 ZINC001454438318 1059538299 /nfs/dbraw/zinc/53/82/99/1059538299.db2.gz IKMVHYNENBSOBK-UHFFFAOYSA-N -1 3 352.696 2.554 20 5 FFBDHM COc1cnccc1[C@@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592012 1060325012 /nfs/dbraw/zinc/32/50/12/1060325012.db2.gz FTEVWKGBDFKLKB-SNVBAGLBSA-N -1 3 367.308 2.847 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)C[C@H](C)O3)c([N+](=O)[O-])s1 ZINC001475657302 1061185036 /nfs/dbraw/zinc/18/50/36/1061185036.db2.gz BXDBHVAHZHBKRH-VIFPVBQESA-N -1 3 368.436 2.767 20 5 FFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC001475749048 1061252666 /nfs/dbraw/zinc/25/26/66/1061252666.db2.gz FDTLHQYLNNEWOX-DTWKUNHWSA-N -1 3 350.849 2.811 20 5 FFBDHM CC(C)COc1cc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])ncn1 ZINC001462062547 1061493221 /nfs/dbraw/zinc/49/32/21/1061493221.db2.gz XLPXRONLZWWEDG-UHFFFAOYSA-N -1 3 352.297 2.950 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC001522160022 1061644152 /nfs/dbraw/zinc/64/41/52/1061644152.db2.gz ZNRDJRDXVZIHTH-UHFFFAOYSA-N -1 3 356.306 2.529 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528093395 1061747256 /nfs/dbraw/zinc/74/72/56/1061747256.db2.gz IKMUWVHHLWKVNP-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528093395 1061747277 /nfs/dbraw/zinc/74/72/77/1061747277.db2.gz IKMUWVHHLWKVNP-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)c([N+](=O)[O-])s1 ZINC001463286016 1062035345 /nfs/dbraw/zinc/03/53/45/1062035345.db2.gz MLOWYEKFCYNHQU-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)nc1C ZINC001463843014 1062291658 /nfs/dbraw/zinc/29/16/58/1062291658.db2.gz CXMGZSHQOLKUHW-UHFFFAOYSA-N -1 3 353.375 2.533 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001469697104 1064193971 /nfs/dbraw/zinc/19/39/71/1064193971.db2.gz BAJOUWXYNJMXMM-JTQLQIEISA-N -1 3 362.361 2.693 20 5 FFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2nccc(OC)c2c1 ZINC001471699068 1064763471 /nfs/dbraw/zinc/76/34/71/1064763471.db2.gz YJXIPMXDWLQEGU-UHFFFAOYSA-N -1 3 370.321 2.513 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC001474993139 1065665523 /nfs/dbraw/zinc/66/55/23/1065665523.db2.gz KDOHQLHFHYXTMG-RNCFNFMXSA-N -1 3 374.415 2.504 20 5 FFBDHM CCN(C)c1ccccc1CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001577871683 1078410190 /nfs/dbraw/zinc/41/01/90/1078410190.db2.gz NNDLWWMWZKADNU-UHFFFAOYSA-N -1 3 353.386 2.843 20 5 FFBDHM CCN(C)c1ccccc1CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001577871683 1078410191 /nfs/dbraw/zinc/41/01/91/1078410191.db2.gz NNDLWWMWZKADNU-UHFFFAOYSA-N -1 3 353.386 2.843 20 5 FFBDHM COc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC001580001888 1078730275 /nfs/dbraw/zinc/73/02/75/1078730275.db2.gz VCCXVVPJUFQBDC-UHFFFAOYSA-N -1 3 372.360 2.555 20 5 FFBDHM COc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC001580001888 1078730283 /nfs/dbraw/zinc/73/02/83/1078730283.db2.gz VCCXVVPJUFQBDC-UHFFFAOYSA-N -1 3 372.360 2.555 20 5 FFBDHM CSc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC001580231120 1078770978 /nfs/dbraw/zinc/77/09/78/1078770978.db2.gz XMBIRGFAMXHVJV-UHFFFAOYSA-N -1 3 357.399 2.812 20 5 FFBDHM CSc1cc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC001580231120 1078770984 /nfs/dbraw/zinc/77/09/84/1078770984.db2.gz XMBIRGFAMXHVJV-UHFFFAOYSA-N -1 3 357.399 2.812 20 5 FFBDHM Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001580979987 1078901504 /nfs/dbraw/zinc/90/15/04/1078901504.db2.gz DLGFITAVNKQKML-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001580979987 1078901507 /nfs/dbraw/zinc/90/15/07/1078901507.db2.gz DLGFITAVNKQKML-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(-c2nnn[n-]2)c1 ZINC001580984917 1078904015 /nfs/dbraw/zinc/90/40/15/1078904015.db2.gz DMJTWGCYBXMHFO-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(-c2nn[n-]n2)c1 ZINC001580984917 1078904020 /nfs/dbraw/zinc/90/40/20/1078904020.db2.gz DMJTWGCYBXMHFO-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cccc(O[C@@H](C)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001581244520 1078944776 /nfs/dbraw/zinc/94/47/76/1078944776.db2.gz PFWGEGLZHRNNIV-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1cccc(O[C@@H](C)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001581244520 1078944783 /nfs/dbraw/zinc/94/47/83/1078944783.db2.gz PFWGEGLZHRNNIV-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1nn(C)c2cc(Nc3c(-c4nnn[n-]4)cccc3[N+](=O)[O-])ccc12 ZINC001581594914 1078980179 /nfs/dbraw/zinc/98/01/79/1078980179.db2.gz JTDUQHTWLICMKX-UHFFFAOYSA-N -1 3 350.342 2.714 20 5 FFBDHM Cc1nn(C)c2cc(Nc3c(-c4nn[n-]n4)cccc3[N+](=O)[O-])ccc12 ZINC001581594914 1078980188 /nfs/dbraw/zinc/98/01/88/1078980188.db2.gz JTDUQHTWLICMKX-UHFFFAOYSA-N -1 3 350.342 2.714 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001582803975 1079110431 /nfs/dbraw/zinc/11/04/31/1079110431.db2.gz YKABFLVRLSWFSL-GDBMZVCRSA-N -1 3 358.308 2.963 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001582803975 1079110439 /nfs/dbraw/zinc/11/04/39/1079110439.db2.gz YKABFLVRLSWFSL-GDBMZVCRSA-N -1 3 358.308 2.963 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001557791921 1075892366 /nfs/dbraw/zinc/89/23/66/1075892366.db2.gz ZQMXKMWCSUVJMV-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001557791921 1075892373 /nfs/dbraw/zinc/89/23/73/1075892373.db2.gz ZQMXKMWCSUVJMV-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM COC(=O)c1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c([O-])c(OC)c1 ZINC001558677326 1076052464 /nfs/dbraw/zinc/05/24/64/1076052464.db2.gz MNIMNVYBIXSBBS-YVMONPNESA-N -1 3 372.333 2.748 20 5 FFBDHM COc1ccccc1NC(=O)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001559295507 1076147262 /nfs/dbraw/zinc/14/72/62/1076147262.db2.gz YTZDPYQLEHPDQO-GFCCVEGCSA-N -1 3 372.381 2.559 20 5 FFBDHM COC(=O)c1cc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2s1 ZINC001569706031 1077160825 /nfs/dbraw/zinc/16/08/25/1077160825.db2.gz XOYTVWMNZVZJOA-UHFFFAOYSA-N -1 3 373.346 2.949 20 5 FFBDHM O=C(NCc1ccc(Nc2ccncc2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001585995419 1079522622 /nfs/dbraw/zinc/52/26/22/1079522622.db2.gz FNVLVUNKANDCRM-UHFFFAOYSA-N -1 3 364.361 2.791 20 5 FFBDHM CC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c([N+](=O)[O-])c1 ZINC001588915875 1080263767 /nfs/dbraw/zinc/26/37/67/1080263767.db2.gz VAKZVNYNKJCABF-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c([N+](=O)[O-])c1 ZINC001588915875 1080263772 /nfs/dbraw/zinc/26/37/72/1080263772.db2.gz VAKZVNYNKJCABF-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589002710 1080300389 /nfs/dbraw/zinc/30/03/89/1080300389.db2.gz QNTHZFYIEVQVAA-OIQJVACTSA-N -1 3 371.397 2.625 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589155708 1080390399 /nfs/dbraw/zinc/39/03/99/1080390399.db2.gz HJUQEYTUXNXOKS-UHFFFAOYSA-N -1 3 351.388 2.599 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589155708 1080390409 /nfs/dbraw/zinc/39/04/09/1080390409.db2.gz HJUQEYTUXNXOKS-UHFFFAOYSA-N -1 3 351.388 2.599 20 5 FFBDHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001589188766 1080404230 /nfs/dbraw/zinc/40/42/30/1080404230.db2.gz ALYVGMOMNAPYSR-MNOVXSKESA-N -1 3 374.401 2.697 20 5 FFBDHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001589188766 1080404235 /nfs/dbraw/zinc/40/42/35/1080404235.db2.gz ALYVGMOMNAPYSR-MNOVXSKESA-N -1 3 374.401 2.697 20 5 FFBDHM CC(C)(NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1F ZINC001589321484 1080482289 /nfs/dbraw/zinc/48/22/89/1080482289.db2.gz FISLJJHQDIGUSY-UHFFFAOYSA-N -1 3 356.361 2.939 20 5 FFBDHM CC(C)(NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1F ZINC001589321484 1080482291 /nfs/dbraw/zinc/48/22/91/1080482291.db2.gz FISLJJHQDIGUSY-UHFFFAOYSA-N -1 3 356.361 2.939 20 5 FFBDHM CC(C)(O)c1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001589338710 1080489070 /nfs/dbraw/zinc/48/90/70/1080489070.db2.gz KLOFRBUTHXOGGB-UHFFFAOYSA-N -1 3 354.370 2.614 20 5 FFBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589800990 1080755332 /nfs/dbraw/zinc/75/53/32/1080755332.db2.gz FSEGBPIGMVPVDV-TVQRCGJNSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589801053 1080756243 /nfs/dbraw/zinc/75/62/43/1080756243.db2.gz GYQYLNKOUVNPEQ-JOYOIKCWSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589801053 1080756249 /nfs/dbraw/zinc/75/62/49/1080756249.db2.gz GYQYLNKOUVNPEQ-JOYOIKCWSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589920243 1080860950 /nfs/dbraw/zinc/86/09/50/1080860950.db2.gz WYAGUOHTIDVDTQ-RYUDHWBXSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589920243 1080860954 /nfs/dbraw/zinc/86/09/54/1080860954.db2.gz WYAGUOHTIDVDTQ-RYUDHWBXSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC001589980476 1080918680 /nfs/dbraw/zinc/91/86/80/1080918680.db2.gz AXDADKAZFKWYQQ-VIFPVBQESA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@@]1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])OCCc2sccc21 ZINC001590134001 1081039601 /nfs/dbraw/zinc/03/96/01/1081039601.db2.gz KONJJABKAGVPFQ-INIZCTEOSA-N -1 3 372.410 2.736 20 5 FFBDHM C[C@@]1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])OCCc2sccc21 ZINC001590134001 1081039606 /nfs/dbraw/zinc/03/96/06/1081039606.db2.gz KONJJABKAGVPFQ-INIZCTEOSA-N -1 3 372.410 2.736 20 5 FFBDHM C[C@H]1CCC[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC001590244335 1081117250 /nfs/dbraw/zinc/11/72/50/1081117250.db2.gz TWKXYUDWZLQBCJ-CMPLNLGQSA-N -1 3 369.385 2.693 20 5 FFBDHM C[C@H]1CCC[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC001590244335 1081117253 /nfs/dbraw/zinc/11/72/53/1081117253.db2.gz TWKXYUDWZLQBCJ-CMPLNLGQSA-N -1 3 369.385 2.693 20 5 FFBDHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000272431319 252036902 /nfs/dbraw/zinc/03/69/02/252036902.db2.gz JOBYODSGRQIEFD-UHFFFAOYSA-N -1 3 360.342 2.548 20 5 FFBDHM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275810920 256050482 /nfs/dbraw/zinc/05/04/82/256050482.db2.gz LORFRYHNPCJUQT-LURJTMIESA-N -1 3 360.252 2.823 20 5 FFBDHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066327452 506481016 /nfs/dbraw/zinc/48/10/16/506481016.db2.gz PAKNMAOKPPDYKG-SECBINFHSA-N -1 3 372.424 2.713 20 5 FFBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)s1 ZINC000040882481 506488460 /nfs/dbraw/zinc/48/84/60/506488460.db2.gz JVCZGUWEOBMFGP-UHFFFAOYSA-N -1 3 351.344 2.868 20 5 FFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000042170667 506606188 /nfs/dbraw/zinc/60/61/88/506606188.db2.gz SAHSTMYHIMWTQY-NSHDSACASA-N -1 3 366.395 2.652 20 5 FFBDHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055242415 506706915 /nfs/dbraw/zinc/70/69/15/506706915.db2.gz DKVGZCCNGHRSRN-FZMZJTMJSA-N -1 3 360.407 2.608 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000014256540 506983883 /nfs/dbraw/zinc/98/38/83/506983883.db2.gz ZICUFRGVJKYZIR-UHFFFAOYSA-N -1 3 350.249 2.952 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2cc(C)ccc21 ZINC000057019705 507152124 /nfs/dbraw/zinc/15/21/24/507152124.db2.gz DBLRUSSKCDQZIV-HNNXBMFYSA-N -1 3 362.407 2.878 20 5 FFBDHM Cc1cccc(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1[N+](=O)[O-] ZINC000021833000 507268820 /nfs/dbraw/zinc/26/88/20/507268820.db2.gz NAJFFTUGCBREBW-UHFFFAOYSA-N -1 3 352.343 2.698 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000070724598 507625179 /nfs/dbraw/zinc/62/51/79/507625179.db2.gz PMGWXHMFIXJRKW-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FFBDHM Cc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000032002122 507822860 /nfs/dbraw/zinc/82/28/60/507822860.db2.gz PSAQPGBILFKDSO-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000108875210 507922816 /nfs/dbraw/zinc/92/28/16/507922816.db2.gz TXQBPFXNLVGEEA-NSHDSACASA-N -1 3 366.370 2.579 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000111368418 508094975 /nfs/dbraw/zinc/09/49/75/508094975.db2.gz HGPMSDQCQWIPPG-DIFFPNOSSA-N -1 3 362.407 2.815 20 5 FFBDHM COc1cc(CNc2cc3c(cc2F)NC(=O)CC3)c([N+](=O)[O-])cc1[O-] ZINC000121848251 508431911 /nfs/dbraw/zinc/43/19/11/508431911.db2.gz KDJJTXOWSDYGQR-UHFFFAOYSA-N -1 3 361.329 2.945 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c([N+](=O)[O-])c1 ZINC000157316104 508551442 /nfs/dbraw/zinc/55/14/42/508551442.db2.gz BYMBNWMFFPCQPX-FHLIZLRMSA-N -1 3 374.418 2.610 20 5 FFBDHM COc1ccc(F)cc1-c1csc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000136054802 508667385 /nfs/dbraw/zinc/66/73/85/508667385.db2.gz QBKPBTOVFKMLHT-UHFFFAOYSA-N -1 3 363.330 2.841 20 5 FFBDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123322263 508669312 /nfs/dbraw/zinc/66/93/12/508669312.db2.gz ZFZXGHVXOICQDG-UHFFFAOYSA-N -1 3 371.440 2.627 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1c(C)noc1C ZINC000119316549 508771331 /nfs/dbraw/zinc/77/13/31/508771331.db2.gz VJCABSLTRFYAPH-LBPRGKRZSA-N -1 3 369.399 2.638 20 5 FFBDHM CCCNC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000154499073 508796464 /nfs/dbraw/zinc/79/64/64/508796464.db2.gz KNMGVRCTYLVZMO-UHFFFAOYSA-N -1 3 367.365 2.863 20 5 FFBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000124266407 508806242 /nfs/dbraw/zinc/80/62/42/508806242.db2.gz BOVYICRRFLQWIH-UHFFFAOYSA-N -1 3 358.460 2.679 20 5 FFBDHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000124530314 508847142 /nfs/dbraw/zinc/84/71/42/508847142.db2.gz AXMLTWOLMSCAAS-MRXNPFEDSA-N -1 3 355.394 2.867 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nccs1 ZINC000150818113 508899864 /nfs/dbraw/zinc/89/98/64/508899864.db2.gz YSIGVVHQPPBKGF-AWEZNQCLSA-N -1 3 371.440 2.664 20 5 FFBDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000159901794 508908179 /nfs/dbraw/zinc/90/81/79/508908179.db2.gz QQVOWLDHWBQWCP-LLVKDONJSA-N -1 3 367.427 2.726 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(CCO)CCCCC1 ZINC000182490504 509268130 /nfs/dbraw/zinc/26/81/30/509268130.db2.gz YKASWMIPEIQDFV-UHFFFAOYSA-N -1 3 356.444 2.514 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000173229707 509466916 /nfs/dbraw/zinc/46/69/16/509466916.db2.gz VHPBMTOFUKTXCI-CYBMUJFWSA-N -1 3 372.406 2.820 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000186073518 509510089 /nfs/dbraw/zinc/51/00/89/509510089.db2.gz NVXHGRXMTZJLFT-UHFFFAOYSA-N -1 3 356.444 2.860 20 5 FFBDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000179874556 509656317 /nfs/dbraw/zinc/65/63/17/509656317.db2.gz XVWMNSYLYXLCIZ-WFASDCNBSA-N -1 3 374.434 2.996 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000170735349 509745481 /nfs/dbraw/zinc/74/54/81/509745481.db2.gz HFZQRBFTBNLWPJ-HNNXBMFYSA-N -1 3 350.396 2.569 20 5 FFBDHM CC[C@@H](C)Oc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000180198760 509807611 /nfs/dbraw/zinc/80/76/11/509807611.db2.gz XYVBIDNNQYBIJT-GFCCVEGCSA-N -1 3 365.411 2.646 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)c1[N+](=O)[O-] ZINC000190036755 509898981 /nfs/dbraw/zinc/89/89/81/509898981.db2.gz XCQWRTQHEUYKKM-CQSZACIVSA-N -1 3 358.460 2.535 20 5 FFBDHM CCOC1CC(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190187014 509993659 /nfs/dbraw/zinc/99/36/59/509993659.db2.gz HFDBZQHCBYQEMB-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000268989684 510178553 /nfs/dbraw/zinc/17/85/53/510178553.db2.gz RRWLCFSICNUTPN-LLVKDONJSA-N -1 3 374.846 2.937 20 5 FFBDHM O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194753801 510512607 /nfs/dbraw/zinc/51/26/07/510512607.db2.gz TYQFXRQZAOOBKN-OAHLLOKOSA-N -1 3 355.394 2.552 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1Br ZINC000182001132 510701314 /nfs/dbraw/zinc/70/13/14/510701314.db2.gz BFIZKTSCOIZALN-UHFFFAOYSA-N -1 3 369.127 2.989 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000175787930 510790353 /nfs/dbraw/zinc/79/03/53/510790353.db2.gz UKNXQPLTYJCDKP-UHFFFAOYSA-N -1 3 372.349 2.669 20 5 FFBDHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)[C@@H]1C[C@@H]1C ZINC000294166133 510977881 /nfs/dbraw/zinc/97/78/81/510977881.db2.gz NIRFLFOCKKSCPD-ZUZCIYMTSA-N -1 3 370.365 2.709 20 5 FFBDHM CCOc1cc(NC([O-])=NOCCSC)c([N+](=O)[O-])cc1OCC ZINC000279779524 511212300 /nfs/dbraw/zinc/21/23/00/511212300.db2.gz BTNSJVYEGQUMNW-UHFFFAOYSA-N -1 3 359.404 2.808 20 5 FFBDHM CCOc1cc(NC(=O)[N-]OCCSC)c([N+](=O)[O-])cc1OCC ZINC000279779524 511212307 /nfs/dbraw/zinc/21/23/07/511212307.db2.gz BTNSJVYEGQUMNW-UHFFFAOYSA-N -1 3 359.404 2.808 20 5 FFBDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000271728304 511302907 /nfs/dbraw/zinc/30/29/07/511302907.db2.gz USRDPEJYQFMCMS-MFKMUULPSA-N -1 3 362.835 2.730 20 5 FFBDHM CCCc1nc(C)c(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000295392782 511389412 /nfs/dbraw/zinc/38/94/12/511389412.db2.gz YPLZTEPAWLZCQZ-UHFFFAOYSA-N -1 3 356.342 2.881 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC000272210327 511467153 /nfs/dbraw/zinc/46/71/53/511467153.db2.gz LQLJWARUWSBYLR-UHFFFAOYSA-N -1 3 359.404 2.594 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000323777952 511831665 /nfs/dbraw/zinc/83/16/65/511831665.db2.gz CDWZFJJVZJCWOG-OAHLLOKOSA-N -1 3 369.421 2.895 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCCC(C)C ZINC000328279835 511886733 /nfs/dbraw/zinc/88/67/33/511886733.db2.gz GXSMHZSGZSDBSK-GFCCVEGCSA-N -1 3 372.443 2.875 20 5 FFBDHM CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000377818733 512464974 /nfs/dbraw/zinc/46/49/74/512464974.db2.gz LMEUPWOVGKKCEL-MRXNPFEDSA-N -1 3 369.421 2.895 20 5 FFBDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000371606800 512490784 /nfs/dbraw/zinc/49/07/84/512490784.db2.gz LSHKXNMPJVSRPY-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000368252720 512865791 /nfs/dbraw/zinc/86/57/91/512865791.db2.gz MQTLVFGRLOEXSY-UHFFFAOYSA-N -1 3 363.786 2.779 20 5 FFBDHM CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000383166520 512880844 /nfs/dbraw/zinc/88/08/44/512880844.db2.gz UUCFBXJGSGWHRO-OAHLLOKOSA-N -1 3 370.409 2.646 20 5 FFBDHM CC(C)c1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000439725645 513171868 /nfs/dbraw/zinc/17/18/68/513171868.db2.gz AGZSSRXUAREASS-UHFFFAOYSA-N -1 3 357.292 2.785 20 5 FFBDHM CC(C)c1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000439725645 513171871 /nfs/dbraw/zinc/17/18/71/513171871.db2.gz AGZSSRXUAREASS-UHFFFAOYSA-N -1 3 357.292 2.785 20 5 FFBDHM CC(C)c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000439725645 513171874 /nfs/dbraw/zinc/17/18/74/513171874.db2.gz AGZSSRXUAREASS-UHFFFAOYSA-N -1 3 357.292 2.785 20 5 FFBDHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447021162 513384128 /nfs/dbraw/zinc/38/41/28/513384128.db2.gz PHUGWFFFXXGRAG-SECBINFHSA-N -1 3 365.249 2.928 20 5 FFBDHM COc1cc(CNc2ccc(N3CCNC3=O)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000441366690 513553340 /nfs/dbraw/zinc/55/33/40/513553340.db2.gz UYWHTBIIKIHEHU-UHFFFAOYSA-N -1 3 372.381 2.759 20 5 FFBDHM CCOc1ccncc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000451284949 513652474 /nfs/dbraw/zinc/65/24/74/513652474.db2.gz KTPXETZZDSWGKN-LBPRGKRZSA-N -1 3 365.411 2.736 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000442741448 513763440 /nfs/dbraw/zinc/76/34/40/513763440.db2.gz AWXYWYMGNRJZHT-JTQLQIEISA-N -1 3 360.407 2.990 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436179005 513784181 /nfs/dbraw/zinc/78/41/81/513784181.db2.gz WKCAUAKZWKHBQO-CQSZACIVSA-N -1 3 368.386 2.708 20 5 FFBDHM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416482346 513795102 /nfs/dbraw/zinc/79/51/02/513795102.db2.gz XXGQAJKHNHTHLQ-JTQLQIEISA-N -1 3 370.374 2.786 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000416558720 513834173 /nfs/dbraw/zinc/83/41/73/513834173.db2.gz PMPZBDVICDYXFQ-UHFFFAOYSA-N -1 3 358.391 2.744 20 5 FFBDHM CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451647026 513887587 /nfs/dbraw/zinc/88/75/87/513887587.db2.gz HKZWKLPCHOBQGY-SNVBAGLBSA-N -1 3 370.349 2.539 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c1C ZINC000451671967 513902343 /nfs/dbraw/zinc/90/23/43/513902343.db2.gz NNPSZARCXNALRC-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM CSCC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000451702691 513923649 /nfs/dbraw/zinc/92/36/49/513923649.db2.gz CYGBDGHJYGPSQG-UHFFFAOYSA-N -1 3 362.448 2.934 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000451803951 513991254 /nfs/dbraw/zinc/99/12/54/513991254.db2.gz SNLVCIZLRTZJBW-LLVKDONJSA-N -1 3 360.457 2.592 20 5 FFBDHM Cc1cccnc1CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000451811752 513994790 /nfs/dbraw/zinc/99/47/90/513994790.db2.gz RPULRZJRQLPOLR-UHFFFAOYSA-N -1 3 363.439 2.826 20 5 FFBDHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000451831538 514010494 /nfs/dbraw/zinc/01/04/94/514010494.db2.gz WGPGGJAUOVPISY-KRWDZBQOSA-N -1 3 364.423 2.576 20 5 FFBDHM Cc1ccc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426752729 514032193 /nfs/dbraw/zinc/03/21/93/514032193.db2.gz BHSPLJYKPMPECJ-KRWDZBQOSA-N -1 3 369.421 2.899 20 5 FFBDHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436936506 514041988 /nfs/dbraw/zinc/04/19/88/514041988.db2.gz UAMRFRTYWOTFOQ-MRXNPFEDSA-N -1 3 355.394 2.867 20 5 FFBDHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436987881 514064023 /nfs/dbraw/zinc/06/40/23/514064023.db2.gz IYHTWXBHBQNNFW-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(CN(C)C)cc1F ZINC000414399074 514094390 /nfs/dbraw/zinc/09/43/90/514094390.db2.gz UZLAXXSHXJSMSN-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000444062414 514111877 /nfs/dbraw/zinc/11/18/77/514111877.db2.gz LKYQZIKYIYKAIX-UHFFFAOYSA-N -1 3 356.306 2.876 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000452053526 514164276 /nfs/dbraw/zinc/16/42/76/514164276.db2.gz OYVBHBWAXWZLKI-UHFFFAOYSA-N -1 3 356.444 2.513 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000427890699 514339898 /nfs/dbraw/zinc/33/98/98/514339898.db2.gz JXKQEXWQHDSUGZ-UHFFFAOYSA-N -1 3 357.301 2.780 20 5 FFBDHM COC[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417618563 514440134 /nfs/dbraw/zinc/44/01/34/514440134.db2.gz DCOVZMUWVJVHSU-OAHLLOKOSA-N -1 3 359.382 2.552 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000433440988 514494170 /nfs/dbraw/zinc/49/41/70/514494170.db2.gz VKROLPZJEXJSQO-UONOGXRCSA-N -1 3 354.428 2.851 20 5 FFBDHM CCN=c1[n-]c(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000452837071 514511676 /nfs/dbraw/zinc/51/16/76/514511676.db2.gz DTCFAOJQBWQXLM-ZDUSSCGKSA-N -1 3 360.439 2.925 20 5 FFBDHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484249250 514602446 /nfs/dbraw/zinc/60/24/46/514602446.db2.gz STFRMOGBGCYZFY-UHFFFAOYSA-N -1 3 356.338 2.605 20 5 FFBDHM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484527013 514676999 /nfs/dbraw/zinc/67/69/99/514676999.db2.gz MLTXXQBGDIIHGV-UHFFFAOYSA-N -1 3 367.321 2.838 20 5 FFBDHM Cc1c(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000479824728 514737283 /nfs/dbraw/zinc/73/72/83/514737283.db2.gz QDDLBVAHFLVJET-UHFFFAOYSA-N -1 3 372.381 2.550 20 5 FFBDHM Cc1ccc(F)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1Br ZINC000484688740 514748934 /nfs/dbraw/zinc/74/89/34/514748934.db2.gz JYGDAKQBMVPKFW-UHFFFAOYSA-N -1 3 357.139 2.791 20 5 FFBDHM O=C(c1cc(F)cc2[n-]nnc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000502968283 514860755 /nfs/dbraw/zinc/86/07/55/514860755.db2.gz ALJHZMYJPAKZKK-MRXNPFEDSA-N -1 3 373.369 2.893 20 5 FFBDHM O=C(c1cc(F)cc2nn[n-]c21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000502968283 514860764 /nfs/dbraw/zinc/86/07/64/514860764.db2.gz ALJHZMYJPAKZKK-MRXNPFEDSA-N -1 3 373.369 2.893 20 5 FFBDHM O=C(c1cc(F)cc2n[n-]nc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000502968283 514860774 /nfs/dbraw/zinc/86/07/74/514860774.db2.gz ALJHZMYJPAKZKK-MRXNPFEDSA-N -1 3 373.369 2.893 20 5 FFBDHM Cc1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c(=O)[n-]1 ZINC000456187168 515008938 /nfs/dbraw/zinc/00/89/38/515008938.db2.gz MASGCWVIUDWBLM-UHFFFAOYSA-N -1 3 359.386 2.709 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCCCC1 ZINC000480723558 515060208 /nfs/dbraw/zinc/06/02/08/515060208.db2.gz SJTRFXOSOPITFQ-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000480735423 515063469 /nfs/dbraw/zinc/06/34/69/515063469.db2.gz FOXVFVBJJGGUQU-GOEBONIOSA-N -1 3 370.471 2.941 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000462485647 515076533 /nfs/dbraw/zinc/07/65/33/515076533.db2.gz OEMCPCOZMGMABJ-WFASDCNBSA-N -1 3 350.371 2.643 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467721232 515096072 /nfs/dbraw/zinc/09/60/72/515096072.db2.gz SXCKCFNDKYTUQG-UHFFFAOYSA-N -1 3 374.303 2.946 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccc[nH]2)n1 ZINC000503616152 515099763 /nfs/dbraw/zinc/09/97/63/515099763.db2.gz HORRHCUIRJVNDY-UHFFFAOYSA-N -1 3 373.756 2.793 20 5 FFBDHM COc1ccccc1CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480939758 515144327 /nfs/dbraw/zinc/14/43/27/515144327.db2.gz UJWHGSHYYOVULR-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000481022969 515176396 /nfs/dbraw/zinc/17/63/96/515176396.db2.gz KYAYAYPKALCAOR-OAHLLOKOSA-N -1 3 369.487 2.610 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCc1ncccc1[O-] ZINC000472238163 515180492 /nfs/dbraw/zinc/18/04/92/515180492.db2.gz JQGMUPFDQFUQRE-UHFFFAOYSA-N -1 3 370.287 2.714 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000462696030 515194269 /nfs/dbraw/zinc/19/42/69/515194269.db2.gz DUAZKDIOTQFZDC-YNEHKIRRSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000462704155 515200542 /nfs/dbraw/zinc/20/05/42/515200542.db2.gz SXEPGYQIIVTHOC-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM Cc1cccc(CCC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000509640346 515267319 /nfs/dbraw/zinc/26/73/19/515267319.db2.gz MZVYDKSKTAXBFA-UHFFFAOYSA-N -1 3 363.439 2.826 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000491337307 515415601 /nfs/dbraw/zinc/41/56/01/515415601.db2.gz ZBGYYENOYHPRTL-GBIKHYSHSA-N -1 3 360.407 2.846 20 5 FFBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000491512989 515446450 /nfs/dbraw/zinc/44/64/50/515446450.db2.gz QIOZGNJWVWLJLM-QWRGUYRKSA-N -1 3 360.407 2.990 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000491593809 515457929 /nfs/dbraw/zinc/45/79/29/515457929.db2.gz JRZJGIPLZMRZQB-ZPPKWKGLSA-N -1 3 358.391 2.600 20 5 FFBDHM CSc1cccc(C(=O)[N-]c2nc(C)nn2-c2ccccc2)c1[N+](=O)[O-] ZINC000486421832 515475765 /nfs/dbraw/zinc/47/57/65/515475765.db2.gz DSCCSOQCPTWRRG-UHFFFAOYSA-N -1 3 369.406 2.880 20 5 FFBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000486610676 515561420 /nfs/dbraw/zinc/56/14/20/515561420.db2.gz HYBNMGZRVYODTF-ONGXEEELSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000486610673 515562344 /nfs/dbraw/zinc/56/23/44/515562344.db2.gz HYBNMGZRVYODTF-GXSJLCMTSA-N -1 3 367.431 2.574 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000477838904 515611624 /nfs/dbraw/zinc/61/16/24/515611624.db2.gz VOXLZVPJTRHLTF-NFAWXSAZSA-N -1 3 361.398 2.559 20 5 FFBDHM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000510636378 515618213 /nfs/dbraw/zinc/61/82/13/515618213.db2.gz CQGDHJCNWFNZLZ-LLVKDONJSA-N -1 3 372.399 2.770 20 5 FFBDHM CC[C@@H](c1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1)c1ccccc1 ZINC000510680632 515634008 /nfs/dbraw/zinc/63/40/08/515634008.db2.gz KUEAIUJSXRFHEF-SNVBAGLBSA-N -1 3 358.383 2.964 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000469248014 515740821 /nfs/dbraw/zinc/74/08/21/515740821.db2.gz WXAJZNRIEXSFAY-UHFFFAOYSA-N -1 3 368.411 2.550 20 5 FFBDHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000487134114 515770655 /nfs/dbraw/zinc/77/06/55/515770655.db2.gz ZFWPWWIXYQVIDG-SNVBAGLBSA-N -1 3 355.803 2.553 20 5 FFBDHM CN(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473912808 515799683 /nfs/dbraw/zinc/79/96/83/515799683.db2.gz RSCBYPHINLUSTQ-HNNXBMFYSA-N -1 3 373.450 2.523 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1[N+](=O)[O-] ZINC000487715844 515951339 /nfs/dbraw/zinc/95/13/39/515951339.db2.gz DKJXTPVZILKBGN-SNVBAGLBSA-N -1 3 368.349 2.670 20 5 FFBDHM COc1cc(OC)c(OC)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000483376206 516055444 /nfs/dbraw/zinc/05/54/44/516055444.db2.gz BEZBHUREURJWSU-UHFFFAOYSA-N -1 3 372.337 2.749 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000511974907 516100862 /nfs/dbraw/zinc/10/08/62/516100862.db2.gz XAYQTACXNMRHPW-UHFFFAOYSA-N -1 3 368.436 2.804 20 5 FFBDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000554827348 516654138 /nfs/dbraw/zinc/65/41/38/516654138.db2.gz BVPULVWUJACDFW-UHFFFAOYSA-N -1 3 357.366 2.574 20 5 FFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)CO2 ZINC000531911147 516707354 /nfs/dbraw/zinc/70/73/54/516707354.db2.gz IOTBLLMNXZYKJY-HNNXBMFYSA-N -1 3 362.407 2.932 20 5 FFBDHM Cc1ccc([O-])c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)n1 ZINC000544346970 516714379 /nfs/dbraw/zinc/71/43/79/516714379.db2.gz XWZDGOKDXDMONH-UHFFFAOYSA-N -1 3 353.338 2.657 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000532120342 516810741 /nfs/dbraw/zinc/81/07/41/516810741.db2.gz PYHCRUDHZXEIMW-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM COC1CCC(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000544672108 516866267 /nfs/dbraw/zinc/86/62/67/516866267.db2.gz UIQHHXCGBAOVDX-UHFFFAOYSA-N -1 3 356.444 2.777 20 5 FFBDHM Cc1cc(OCc2nc(-c3ccc4n[n-]nc4c3)no2)ccc1[N+](=O)[O-] ZINC000555473287 516939669 /nfs/dbraw/zinc/93/96/69/516939669.db2.gz AIIFPYNBFKEVAC-UHFFFAOYSA-N -1 3 352.310 2.804 20 5 FFBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nn1-c1ccccc1 ZINC000536809795 516940842 /nfs/dbraw/zinc/94/08/42/516940842.db2.gz GCBWJEFGJBDVIH-UHFFFAOYSA-N -1 3 362.349 2.639 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000558892506 516989577 /nfs/dbraw/zinc/98/95/77/516989577.db2.gz YXVCFCLRONEBOM-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000537183807 517072429 /nfs/dbraw/zinc/07/24/29/517072429.db2.gz QFHXRBMRRSIMFY-OXHMUOHRSA-N -1 3 362.835 2.586 20 5 FFBDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000520155204 517282767 /nfs/dbraw/zinc/28/27/67/517282767.db2.gz WGOIFIZOSYCBSL-SNVBAGLBSA-N -1 3 354.359 2.782 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CC3)CC2)c(C(F)(F)F)c1 ZINC000533465883 517478427 /nfs/dbraw/zinc/47/84/27/517478427.db2.gz DEIFAVMTWFBTDN-UHFFFAOYSA-N -1 3 350.318 2.835 20 5 FFBDHM Cc1cc(C)c(-c2cc(=NC(=O)CCn3cc([N+](=O)[O-])cn3)[nH][n-]2)cc1C ZINC000521036954 517586772 /nfs/dbraw/zinc/58/67/72/517586772.db2.gz RNEZPXUYRBSIOC-UHFFFAOYSA-N -1 3 368.397 2.557 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000546300449 517632219 /nfs/dbraw/zinc/63/22/19/517632219.db2.gz WHTDVRCZHUIASM-UHFFFAOYSA-N -1 3 374.378 2.607 20 5 FFBDHM O=C(Cc1cnccc1Cl)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000553405447 517694485 /nfs/dbraw/zinc/69/44/85/517694485.db2.gz PFGJFEZFBQESFG-UHFFFAOYSA-N -1 3 357.757 2.636 20 5 FFBDHM O=C([N-]c1nc2c(cccc2Br)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000553745855 517879113 /nfs/dbraw/zinc/87/91/13/517879113.db2.gz JSVAUVHITOZCIG-UHFFFAOYSA-N -1 3 368.172 2.942 20 5 FFBDHM Cc1ccc(-c2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1[N+](=O)[O-] ZINC000546983278 517945964 /nfs/dbraw/zinc/94/59/64/517945964.db2.gz PKPPTIOYGZOVEE-UHFFFAOYSA-N -1 3 374.378 2.992 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000566852384 518232899 /nfs/dbraw/zinc/23/28/99/518232899.db2.gz AZCNMKIWTZLHAM-LSDHHAIUSA-N -1 3 362.407 2.746 20 5 FFBDHM COc1cccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1[O-] ZINC000572689039 518310989 /nfs/dbraw/zinc/31/09/89/518310989.db2.gz JDMKBQROBNNHMV-UHFFFAOYSA-N -1 3 355.350 2.763 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000573023228 518470038 /nfs/dbraw/zinc/47/00/38/518470038.db2.gz FIMKGQBALSBDAN-UHFFFAOYSA-N -1 3 372.349 2.674 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000576259940 518507824 /nfs/dbraw/zinc/50/78/24/518507824.db2.gz PULVUVFQLZMYFD-GDBMZVCRSA-N -1 3 362.407 2.793 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000576758590 518748549 /nfs/dbraw/zinc/74/85/49/518748549.db2.gz YMSFSYCMRYWGIS-SWLSCSKDSA-N -1 3 356.382 2.935 20 5 FFBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000568074139 518861292 /nfs/dbraw/zinc/86/12/92/518861292.db2.gz XPFGJCYKMKSMCZ-LJQANCHMSA-N -1 3 367.361 2.964 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000568073150 518861584 /nfs/dbraw/zinc/86/15/84/518861584.db2.gz WAJXRCCKNNKGMU-IAGOWNOFSA-N -1 3 356.378 2.904 20 5 FFBDHM O=C([N-]c1cc(F)cc(F)c1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000571429961 519092291 /nfs/dbraw/zinc/09/22/91/519092291.db2.gz NARRKXNULJCUBY-UHFFFAOYSA-N -1 3 363.255 2.845 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1 ZINC000590177140 519168910 /nfs/dbraw/zinc/16/89/10/519168910.db2.gz JXKBOSWOBMOGBW-MNOVXSKESA-N -1 3 367.196 2.526 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)o1 ZINC000571794112 519278775 /nfs/dbraw/zinc/27/87/75/519278775.db2.gz IYCABEJBXCUDNX-UHFFFAOYSA-N -1 3 367.427 2.885 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000569421878 519538085 /nfs/dbraw/zinc/53/80/85/519538085.db2.gz FKJKEBZYYUEUJY-WQVCFCJDSA-N -1 3 368.455 2.694 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000594763829 520142857 /nfs/dbraw/zinc/14/28/57/520142857.db2.gz CACLZKQWWYUGOW-VIFPVBQESA-N -1 3 357.338 2.609 20 5 FFBDHM COc1ccc(-n2nnc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)c2C)cc1 ZINC000608870413 520150677 /nfs/dbraw/zinc/15/06/77/520150677.db2.gz FDNNMALDEWJSDS-UHFFFAOYSA-N -1 3 371.328 2.884 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)c2ncccc12 ZINC000592062528 520161810 /nfs/dbraw/zinc/16/18/10/520161810.db2.gz KKBIAKKYZWAZLW-WDEREUQCSA-N -1 3 353.375 2.702 20 5 FFBDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594801591 520164485 /nfs/dbraw/zinc/16/44/85/520164485.db2.gz PMXJHYLGCKFYEL-CQSZACIVSA-N -1 3 356.444 2.695 20 5 FFBDHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609202539 520230466 /nfs/dbraw/zinc/23/04/66/520230466.db2.gz NXANZYBYMIVQBA-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cncn1-c1ccccc1 ZINC000609202783 520230534 /nfs/dbraw/zinc/23/05/34/520230534.db2.gz ZOLPWFWDEZXBEY-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([O-])cc1Cl ZINC000597858355 520286252 /nfs/dbraw/zinc/28/62/52/520286252.db2.gz SKMCIUBRNGYAJJ-LLVKDONJSA-N -1 3 367.793 2.825 20 5 FFBDHM CCc1ccc(CC[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000609898765 520474838 /nfs/dbraw/zinc/47/48/38/520474838.db2.gz QDWBYIVKLVFZJE-UHFFFAOYSA-N -1 3 364.423 2.687 20 5 FFBDHM CC1(C)C[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C(C)(C)O1 ZINC000600816870 520483546 /nfs/dbraw/zinc/48/35/46/520483546.db2.gz LNEYGTYNJWHCEW-CYBMUJFWSA-N -1 3 358.398 2.939 20 5 FFBDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000598195190 520486828 /nfs/dbraw/zinc/48/68/28/520486828.db2.gz LWZYIPDZUWZMTN-INIZCTEOSA-N -1 3 369.421 2.689 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000613475882 520522123 /nfs/dbraw/zinc/52/21/23/520522123.db2.gz ZLHAXFOZLOGTGZ-UKRRQHHQSA-N -1 3 352.437 2.973 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000613477054 520522390 /nfs/dbraw/zinc/52/23/90/520522390.db2.gz OGNSZJKCTOJSLS-LBPRGKRZSA-N -1 3 362.473 2.838 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccco1 ZINC000598606255 520738910 /nfs/dbraw/zinc/73/89/10/520738910.db2.gz GCEMIWNQPYILNF-ZDUSSCGKSA-N -1 3 368.411 2.861 20 5 FFBDHM COc1cc(CNc2cccc(-c3ncn(C)n3)c2)c([N+](=O)[O-])cc1[O-] ZINC000614248235 520872863 /nfs/dbraw/zinc/87/28/63/520872863.db2.gz XSMJHQZTMDEORE-UHFFFAOYSA-N -1 3 355.354 2.717 20 5 FFBDHM O=c1[n-]ccc(N2CCN(c3ncc(Cl)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000596082156 520901722 /nfs/dbraw/zinc/90/17/22/520901722.db2.gz MKAZEWYQLPRKES-UHFFFAOYSA-N -1 3 370.196 2.724 20 5 FFBDHM COc1cccc([C@@H](C)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596106402 520915851 /nfs/dbraw/zinc/91/58/51/520915851.db2.gz AQNLNOZZYALSKU-CYBMUJFWSA-N -1 3 358.398 2.587 20 5 FFBDHM O=c1[n-]ccc(N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000596185591 520958946 /nfs/dbraw/zinc/95/89/46/520958946.db2.gz YKRVRBGBJJLCNS-ZDUSSCGKSA-N -1 3 366.381 2.865 20 5 FFBDHM CCCn1cc(C(=O)[N-]c2cc(OCC)c(OCC)cc2[N+](=O)[O-])nn1 ZINC000611226221 521045615 /nfs/dbraw/zinc/04/56/15/521045615.db2.gz HGFNWBOXOUGDOI-UHFFFAOYSA-N -1 3 363.374 2.646 20 5 FFBDHM O=c1[n-]ccc(N2CCC(Cc3nc(C4CCC4)no3)CC2)c1[N+](=O)[O-] ZINC000599167502 521068434 /nfs/dbraw/zinc/06/84/34/521068434.db2.gz HJVSLAAOUBLYIF-UHFFFAOYSA-N -1 3 359.386 2.805 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c(Cl)c1 ZINC000593629363 521119577 /nfs/dbraw/zinc/11/95/77/521119577.db2.gz MUCKVGGPPUSBIV-OAHLLOKOSA-N -1 3 374.846 2.732 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc2N1 ZINC000593730656 521180983 /nfs/dbraw/zinc/18/09/83/521180983.db2.gz VTELQPSCWWZZFC-CQSZACIVSA-N -1 3 361.423 2.690 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC=CC2)c(C(F)(F)F)c1 ZINC000599392135 521194440 /nfs/dbraw/zinc/19/44/40/521194440.db2.gz SEYQWFNXECRINO-UHFFFAOYSA-N -1 3 350.318 2.858 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)C2(C)CCCC2)cc1C ZINC000599472694 521244873 /nfs/dbraw/zinc/24/48/73/521244873.db2.gz MCLSETXWYKMQMG-UHFFFAOYSA-N -1 3 354.428 2.639 20 5 FFBDHM C[C@H]1CCCc2ncc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)n21 ZINC000593893638 521278311 /nfs/dbraw/zinc/27/83/11/521278311.db2.gz MGAKOHUNZZSCLV-NSHDSACASA-N -1 3 366.381 2.753 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000596812031 521302034 /nfs/dbraw/zinc/30/20/34/521302034.db2.gz GRYBUAKSPMBGSN-UHFFFAOYSA-N -1 3 373.434 2.985 20 5 FFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489107 521595226 /nfs/dbraw/zinc/59/52/26/521595226.db2.gz DZQMWXKXUSVUCE-ZYHUDNBSSA-N -1 3 360.457 2.556 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H](O)c1ccccc1Cl ZINC000738357981 598973757 /nfs/dbraw/zinc/97/37/57/598973757.db2.gz JKJCVXQALBDBOC-AWEZNQCLSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H](O)c1ccccc1Cl ZINC000738357981 598973758 /nfs/dbraw/zinc/97/37/58/598973758.db2.gz JKJCVXQALBDBOC-AWEZNQCLSA-N -1 3 360.761 2.574 20 5 FFBDHM Cc1cccc(O[C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000822328930 599058485 /nfs/dbraw/zinc/05/84/85/599058485.db2.gz VSPKQEQHPMMMAP-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1cccc(O[C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000822328930 599058489 /nfs/dbraw/zinc/05/84/89/599058489.db2.gz VSPKQEQHPMMMAP-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM COc1cccc(O[C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821871987 599062019 /nfs/dbraw/zinc/06/20/19/599062019.db2.gz HIYCOGGFQVCBMY-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM COc1cccc(O[C@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821871987 599062021 /nfs/dbraw/zinc/06/20/21/599062021.db2.gz HIYCOGGFQVCBMY-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM Cc1ccccc1O[C@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822366119 599066247 /nfs/dbraw/zinc/06/62/47/599066247.db2.gz CHKVPMIMNWOSJL-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1ccccc1O[C@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822366119 599066251 /nfs/dbraw/zinc/06/62/51/599066251.db2.gz CHKVPMIMNWOSJL-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000738236490 599163915 /nfs/dbraw/zinc/16/39/15/599163915.db2.gz KFMKJBRNFUPDBQ-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000738236490 599163918 /nfs/dbraw/zinc/16/39/18/599163918.db2.gz KFMKJBRNFUPDBQ-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM Cc1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)c1C ZINC000737560589 599178559 /nfs/dbraw/zinc/17/85/59/599178559.db2.gz AYGSQBDLEOMONA-UHFFFAOYSA-N -1 3 358.383 2.634 20 5 FFBDHM Cc1sc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)c1C ZINC000737560589 599178561 /nfs/dbraw/zinc/17/85/61/599178561.db2.gz AYGSQBDLEOMONA-UHFFFAOYSA-N -1 3 358.383 2.634 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1 ZINC000738232047 599186537 /nfs/dbraw/zinc/18/65/37/599186537.db2.gz OCNKBJXUZPMFOX-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820220787 607331582 /nfs/dbraw/zinc/33/15/82/607331582.db2.gz XSHQKLNWFMLHIC-DIFFPNOSSA-N -1 3 366.381 2.603 20 5 FFBDHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820220787 607331583 /nfs/dbraw/zinc/33/15/83/607331583.db2.gz XSHQKLNWFMLHIC-DIFFPNOSSA-N -1 3 366.381 2.603 20 5 FFBDHM O=[N+]([O-])c1cc(F)ccc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000738361139 598363977 /nfs/dbraw/zinc/36/39/77/598363977.db2.gz VDJOGVNPTWKITQ-UHFFFAOYSA-N -1 3 354.301 2.746 20 5 FFBDHM O=[N+]([O-])c1cc(F)ccc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000738361139 598363980 /nfs/dbraw/zinc/36/39/80/598363980.db2.gz VDJOGVNPTWKITQ-UHFFFAOYSA-N -1 3 354.301 2.746 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738166729 598592915 /nfs/dbraw/zinc/59/29/15/598592915.db2.gz MNWZHMWGNHYVPC-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000738166729 598592916 /nfs/dbraw/zinc/59/29/16/598592916.db2.gz MNWZHMWGNHYVPC-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000736739389 598650472 /nfs/dbraw/zinc/65/04/72/598650472.db2.gz NRKHTLVMHWPVIR-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000736739389 598650474 /nfs/dbraw/zinc/65/04/74/598650474.db2.gz NRKHTLVMHWPVIR-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736231118 599474304 /nfs/dbraw/zinc/47/43/04/599474304.db2.gz BAWRKWMMXWRHOX-ZYHUDNBSSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736231118 599474306 /nfs/dbraw/zinc/47/43/06/599474306.db2.gz BAWRKWMMXWRHOX-ZYHUDNBSSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@@H]1SCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC000820818963 599563860 /nfs/dbraw/zinc/56/38/60/599563860.db2.gz CZOHHCDSTSXEMW-UWVGGRQHSA-N -1 3 371.426 2.653 20 5 FFBDHM C[C@@H]1SCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC000820818963 599563861 /nfs/dbraw/zinc/56/38/61/599563861.db2.gz CZOHHCDSTSXEMW-UWVGGRQHSA-N -1 3 371.426 2.653 20 5 FFBDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826054946 601202727 /nfs/dbraw/zinc/20/27/27/601202727.db2.gz SSSVCTMDXWDRMU-YVEFUNNKSA-N -1 3 357.366 2.585 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000826245188 607694090 /nfs/dbraw/zinc/69/40/90/607694090.db2.gz QCOKXGGTJIXJMR-UHFFFAOYSA-N -1 3 364.365 2.676 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000826245188 607694091 /nfs/dbraw/zinc/69/40/91/607694091.db2.gz QCOKXGGTJIXJMR-UHFFFAOYSA-N -1 3 364.365 2.676 20 5 FFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000833420697 604929186 /nfs/dbraw/zinc/92/91/86/604929186.db2.gz YQKYXLMYUVFWDC-ZDUSSCGKSA-N -1 3 374.397 2.968 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821476097 606131018 /nfs/dbraw/zinc/13/10/18/606131018.db2.gz HFYAINZFMYJOQP-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821476097 606131019 /nfs/dbraw/zinc/13/10/19/606131019.db2.gz HFYAINZFMYJOQP-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821475867 606131164 /nfs/dbraw/zinc/13/11/64/606131164.db2.gz BNOUVELUTNWHKA-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821475867 606131166 /nfs/dbraw/zinc/13/11/66/606131166.db2.gz BNOUVELUTNWHKA-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM CCOc1cc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000821399828 606222932 /nfs/dbraw/zinc/22/29/32/606222932.db2.gz BZEXZPNSZLACGS-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CCOc1cc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000821399828 606222934 /nfs/dbraw/zinc/22/29/34/606222934.db2.gz BZEXZPNSZLACGS-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820556937 606325552 /nfs/dbraw/zinc/32/55/52/606325552.db2.gz WLJDPZPKUXGLHP-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820556937 606325553 /nfs/dbraw/zinc/32/55/53/606325553.db2.gz WLJDPZPKUXGLHP-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM COc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821773090 606341425 /nfs/dbraw/zinc/34/14/25/606341425.db2.gz ZXBXFGZUKLZEDA-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821773090 606341426 /nfs/dbraw/zinc/34/14/26/606341426.db2.gz ZXBXFGZUKLZEDA-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC(c3cccc(F)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000823648021 606426745 /nfs/dbraw/zinc/42/67/45/606426745.db2.gz RUIQUSJOEBUWEF-UHFFFAOYSA-N -1 3 369.360 2.693 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC(c3cccc(F)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000823648021 606426747 /nfs/dbraw/zinc/42/67/47/606426747.db2.gz RUIQUSJOEBUWEF-UHFFFAOYSA-N -1 3 369.360 2.693 20 5 FFBDHM O=[N+]([O-])c1cc(NCc2ccc(-n3cccn3)cc2)ccc1-c1nnn[n-]1 ZINC000823634927 606645271 /nfs/dbraw/zinc/64/52/71/606645271.db2.gz OMNMRSKTSCHZDU-UHFFFAOYSA-N -1 3 362.353 2.573 20 5 FFBDHM Cc1nn(Cc2cc(F)ccc2-c2nnn[n-]2)c2ccc([N+](=O)[O-])cc12 ZINC000822500968 606984555 /nfs/dbraw/zinc/98/45/55/606984555.db2.gz PCQRPPJDUGWNQC-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM Cc1nn(Cc2cc(F)ccc2-c2nn[n-]n2)c2ccc([N+](=O)[O-])cc12 ZINC000822500968 606984557 /nfs/dbraw/zinc/98/45/57/606984557.db2.gz PCQRPPJDUGWNQC-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822270856 606997106 /nfs/dbraw/zinc/99/71/06/606997106.db2.gz ANANTJFBEZBYPQ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822270856 606997107 /nfs/dbraw/zinc/99/71/07/606997107.db2.gz ANANTJFBEZBYPQ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OCCOc1ccccc1-c1nnn[n-]1 ZINC000823647992 607159382 /nfs/dbraw/zinc/15/93/82/607159382.db2.gz RMFHLSOHUPVSGG-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OCCOc1ccccc1-c1nn[n-]n1 ZINC000823647992 607159383 /nfs/dbraw/zinc/15/93/83/607159383.db2.gz RMFHLSOHUPVSGG-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823114732 607190488 /nfs/dbraw/zinc/19/04/88/607190488.db2.gz CEPODRCAKALVEL-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823114732 607190489 /nfs/dbraw/zinc/19/04/89/607190489.db2.gz CEPODRCAKALVEL-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM Cc1nn(CN(C)c2ccccc2-c2nnn[n-]2)c2ccc([N+](=O)[O-])cc12 ZINC000826334904 607848022 /nfs/dbraw/zinc/84/80/22/607848022.db2.gz OLAPKZYALQNKJX-UHFFFAOYSA-N -1 3 364.369 2.527 20 5 FFBDHM Cc1nn(CN(C)c2ccccc2-c2nn[n-]n2)c2ccc([N+](=O)[O-])cc12 ZINC000826334904 607848023 /nfs/dbraw/zinc/84/80/23/607848023.db2.gz OLAPKZYALQNKJX-UHFFFAOYSA-N -1 3 364.369 2.527 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473799 607950650 /nfs/dbraw/zinc/95/06/50/607950650.db2.gz OQJZMVVJISJXKG-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473799 607950651 /nfs/dbraw/zinc/95/06/51/607950651.db2.gz OQJZMVVJISJXKG-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(c3ccccc3Cl)CC2)c(-c2nnn[n-]2)c1 ZINC000826500655 608149332 /nfs/dbraw/zinc/14/93/32/608149332.db2.gz GZHAQCVZYIGLAC-UHFFFAOYSA-N -1 3 371.788 2.967 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(c3ccccc3Cl)CC2)c(-c2nn[n-]n2)c1 ZINC000826500655 608149333 /nfs/dbraw/zinc/14/93/33/608149333.db2.gz GZHAQCVZYIGLAC-UHFFFAOYSA-N -1 3 371.788 2.967 20 5 FFBDHM O=C(CCC(F)(F)F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405528 608160574 /nfs/dbraw/zinc/16/05/74/608160574.db2.gz JDRXOKSWZOOKBQ-UHFFFAOYSA-N -1 3 364.671 2.709 20 5 FFBDHM O=C(CCC(F)(F)F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405528 608160576 /nfs/dbraw/zinc/16/05/76/608160576.db2.gz JDRXOKSWZOOKBQ-UHFFFAOYSA-N -1 3 364.671 2.709 20 5 FFBDHM CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385657 608345549 /nfs/dbraw/zinc/34/55/49/608345549.db2.gz PJLXFVXQFGSPEP-UHFFFAOYSA-N -1 3 362.733 2.688 20 5 FFBDHM CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385657 608345550 /nfs/dbraw/zinc/34/55/50/608345550.db2.gz PJLXFVXQFGSPEP-UHFFFAOYSA-N -1 3 362.733 2.688 20 5 FFBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826498919 608381096 /nfs/dbraw/zinc/38/10/96/608381096.db2.gz OKJNAKCRHAZUKT-UHFFFAOYSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1ccc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826498919 608381097 /nfs/dbraw/zinc/38/10/97/608381097.db2.gz OKJNAKCRHAZUKT-UHFFFAOYSA-N -1 3 365.397 2.856 20 5 FFBDHM Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000826282410 608434985 /nfs/dbraw/zinc/43/49/85/608434985.db2.gz NRXMZKPJVYNAJN-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000826282410 608434987 /nfs/dbraw/zinc/43/49/87/608434987.db2.gz NRXMZKPJVYNAJN-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826422347 609340824 /nfs/dbraw/zinc/34/08/24/609340824.db2.gz VVYNGJOIZWIBHM-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826422347 609340826 /nfs/dbraw/zinc/34/08/26/609340826.db2.gz VVYNGJOIZWIBHM-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM Cc1c(Cl)cnc(N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826236853 609530296 /nfs/dbraw/zinc/53/02/96/609530296.db2.gz DTCCBAYVPKCSHU-UHFFFAOYSA-N -1 3 359.777 2.768 20 5 FFBDHM Cc1c(Cl)cnc(N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826236853 609530297 /nfs/dbraw/zinc/53/02/97/609530297.db2.gz DTCCBAYVPKCSHU-UHFFFAOYSA-N -1 3 359.777 2.768 20 5 FFBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000108721862 728522315 /nfs/dbraw/zinc/52/23/15/728522315.db2.gz ZGSBCFFMKKSHGG-UHFFFAOYSA-N -1 3 363.370 2.954 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121412121 728626517 /nfs/dbraw/zinc/62/65/17/728626517.db2.gz WSNSHTNFQMANPI-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cs1 ZINC000125471644 728683850 /nfs/dbraw/zinc/68/38/50/728683850.db2.gz MGMWFOXZKVRFCS-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(C)c1 ZINC000194727359 729518839 /nfs/dbraw/zinc/51/88/39/729518839.db2.gz DVQMOPCWGIBXLZ-UHFFFAOYSA-N -1 3 351.384 2.685 20 5 FFBDHM O=C([N-]C[C@@H]1CC[C@H](C(F)(F)F)O1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000927567975 738751026 /nfs/dbraw/zinc/75/10/26/738751026.db2.gz DDNRCUMVCIKHNS-WDEREUQCSA-N -1 3 368.258 2.913 20 5 FFBDHM O=C([N-]Cc1nc2c(s1)CCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000927655631 738766795 /nfs/dbraw/zinc/76/67/95/738766795.db2.gz NQELUFNGXSPHMM-UHFFFAOYSA-N -1 3 353.350 2.948 20 5 FFBDHM COc1c([O-])ccc(CN2CCO[C@@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000892142164 734520943 /nfs/dbraw/zinc/52/09/43/734520943.db2.gz YEBLDWDSVUKVLR-CQSZACIVSA-N -1 3 350.396 2.944 20 5 FFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)CO2 ZINC000771773384 737754704 /nfs/dbraw/zinc/75/47/04/737754704.db2.gz DCDHNHYXKPQRGJ-CYBMUJFWSA-N -1 3 366.370 2.763 20 5 FFBDHM CCOC(=O)[C@@H](CC1CC1)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778023172 738344231 /nfs/dbraw/zinc/34/42/31/738344231.db2.gz GGAYPSAVVOEDFY-CYBMUJFWSA-N -1 3 356.325 2.535 20 5 FFBDHM O=C(NCc1ncccc1[O-])Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000791843325 739609085 /nfs/dbraw/zinc/60/90/85/739609085.db2.gz QZQFHWSCNHVLLI-UHFFFAOYSA-N -1 3 367.159 2.780 20 5 FFBDHM COc1ccc(CCS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000800929494 740567688 /nfs/dbraw/zinc/56/76/88/740567688.db2.gz HSSPQMOYPYCUKF-UHFFFAOYSA-N -1 3 354.359 2.727 20 5 FFBDHM CC(=O)c1cccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1[O-] ZINC000808189270 741196830 /nfs/dbraw/zinc/19/68/30/741196830.db2.gz OBVCTXBSIRCKNM-UHFFFAOYSA-N -1 3 358.335 2.760 20 5 FFBDHM O=C([N-][C@H](CCO)c1cccs1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584424 748966008 /nfs/dbraw/zinc/96/60/08/748966008.db2.gz XMIVAZIVGWZMNP-GFCCVEGCSA-N -1 3 372.349 2.868 20 5 FFBDHM O=C([N-][C@@H](CCO)c1cccs1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584095 748966356 /nfs/dbraw/zinc/96/63/56/748966356.db2.gz NZTIIFYRKACQDV-LBPRGKRZSA-N -1 3 372.349 2.868 20 5 FFBDHM CO[C@@H](CC[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000848592564 748969234 /nfs/dbraw/zinc/96/92/34/748969234.db2.gz KCXHXNHSPSBTBJ-JTQLQIEISA-N -1 3 372.246 2.650 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2=CCCC2)c1 ZINC000851826612 749691152 /nfs/dbraw/zinc/69/11/52/749691152.db2.gz RFXSPHMOYLPEFK-UHFFFAOYSA-N -1 3 361.217 2.746 20 5 FFBDHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000851834457 749695293 /nfs/dbraw/zinc/69/52/93/749695293.db2.gz QUHNSKSUKGOSDO-GFCCVEGCSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1ccc(CC(=O)[N-]OCc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000871731648 1013047264 /nfs/dbraw/zinc/04/72/64/1013047264.db2.gz QMOCIFGNHIASAB-UHFFFAOYSA-N -1 3 360.366 2.711 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001535491717 948544884 /nfs/dbraw/zinc/54/48/84/948544884.db2.gz FADMQIDQJLFVMU-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001535491717 948544890 /nfs/dbraw/zinc/54/48/90/948544890.db2.gz FADMQIDQJLFVMU-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001574692916 949040519 /nfs/dbraw/zinc/04/05/19/949040519.db2.gz DCJQKBOBKJARFW-NSHDSACASA-N -1 3 353.386 2.790 20 5 FFBDHM C[C@@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001574692916 949040538 /nfs/dbraw/zinc/04/05/38/949040538.db2.gz DCJQKBOBKJARFW-NSHDSACASA-N -1 3 353.386 2.790 20 5 FFBDHM C[C@H]1CCCC[C@H]1OCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576166699 949586918 /nfs/dbraw/zinc/58/69/18/949586918.db2.gz NRFJIYBGAPEQOH-ZUZCIYMTSA-N -1 3 364.381 2.921 20 5 FFBDHM C[C@H]1CCCC[C@H]1OCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576166699 949586933 /nfs/dbraw/zinc/58/69/33/949586933.db2.gz NRFJIYBGAPEQOH-ZUZCIYMTSA-N -1 3 364.381 2.921 20 5 FFBDHM COc1c([O-])ccc(CNc2cccc(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000892272387 966709263 /nfs/dbraw/zinc/70/92/63/966709263.db2.gz HKSXVNOOEMOAHZ-UHFFFAOYSA-N -1 3 359.382 2.758 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])s1 ZINC001211639120 969388692 /nfs/dbraw/zinc/38/86/92/969388692.db2.gz VOCUPGMYZLTUNV-ZDUSSCGKSA-N -1 3 370.452 2.593 20 5 FFBDHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001591711036 975590603 /nfs/dbraw/zinc/59/06/03/975590603.db2.gz IBYPGDIDHDANMX-ZDUSSCGKSA-N -1 3 364.320 2.924 20 5 FFBDHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001129180237 990476502 /nfs/dbraw/zinc/47/65/02/990476502.db2.gz CXKGPCPEIBYOFV-UHFFFAOYSA-N -1 3 367.358 2.893 20 5 FFBDHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC001132962905 995216019 /nfs/dbraw/zinc/21/60/19/995216019.db2.gz MOOWNTGUBZHGRQ-UHFFFAOYSA-N -1 3 350.262 2.606 20 5 FFBDHM COc1cc(CN[C@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001599414964 997489365 /nfs/dbraw/zinc/48/93/65/997489365.db2.gz BVVGWJAZZCYHBQ-NSHDSACASA-N -1 3 372.324 2.510 20 5 FFBDHM CC(C)(CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000844207627 997725794 /nfs/dbraw/zinc/72/57/94/997725794.db2.gz KEUUIDFESBBINN-UHFFFAOYSA-N -1 3 370.409 2.937 20 5 FFBDHM CN(CCCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])Cc1ccco1 ZINC000844212170 997730518 /nfs/dbraw/zinc/73/05/18/997730518.db2.gz CQPPOSYMTTUVKN-UHFFFAOYSA-N -1 3 361.398 2.773 20 5 FFBDHM CC(=O)Nc1cc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(F)cc1F ZINC000771321471 1001076112 /nfs/dbraw/zinc/07/61/12/1001076112.db2.gz VBXXJBVMSBKCNB-UHFFFAOYSA-N -1 3 367.312 2.930 20 5 FFBDHM O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1cc2occc2[n-]1 ZINC000786030195 1001520594 /nfs/dbraw/zinc/52/05/94/1001520594.db2.gz MKTKYCKVEAVYML-UHFFFAOYSA-N -1 3 371.305 2.824 20 5 FFBDHM CC(=O)NCCn1c2ccccc2nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828480 1005043777 /nfs/dbraw/zinc/04/37/77/1005043777.db2.gz JOKXJGVMGKFWGC-UHFFFAOYSA-N -1 3 355.354 2.530 20 5 FFBDHM CN(C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000853226780 1006339986 /nfs/dbraw/zinc/33/99/86/1006339986.db2.gz HESSYLIMEJOYDD-GFCCVEGCSA-N -1 3 366.418 2.779 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@H]21 ZINC000853644659 1006491159 /nfs/dbraw/zinc/49/11/59/1006491159.db2.gz VLHWSRWJUCIJAL-NWDGAFQWSA-N -1 3 364.402 2.531 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)c([N+](=O)[O-])s1 ZINC001188399720 1006564789 /nfs/dbraw/zinc/56/47/89/1006564789.db2.gz VXQOPTOLDDVLQW-UHFFFAOYSA-N -1 3 365.436 2.967 20 5 FFBDHM CCc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1[O-] ZINC000748011759 1006710284 /nfs/dbraw/zinc/71/02/84/1006710284.db2.gz ZHGYXZGWBGADFM-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1cccc(F)c1[N+](=O)[O-] ZINC001116246841 1032216508 /nfs/dbraw/zinc/21/65/08/1032216508.db2.gz UAEGGGPFQPHNDR-UHFFFAOYSA-N -1 3 357.338 2.857 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)n1 ZINC000884706237 1007513399 /nfs/dbraw/zinc/51/33/99/1007513399.db2.gz WGZATJOIKQJOAQ-UHFFFAOYSA-N -1 3 365.340 2.663 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3ccc(F)cc3)no2)c1Br ZINC001212837309 1009475224 /nfs/dbraw/zinc/47/52/24/1009475224.db2.gz FIPCEZZIGTWGKO-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3ccc(F)cc3)no2)c1Br ZINC001212837309 1009475228 /nfs/dbraw/zinc/47/52/28/1009475228.db2.gz FIPCEZZIGTWGKO-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)ccc1OC ZINC001212937314 1027443385 /nfs/dbraw/zinc/44/33/85/1027443385.db2.gz YIIFELIMRGOSFQ-UHFFFAOYSA-N -1 3 358.310 2.820 20 5 FFBDHM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225664481 1034357274 /nfs/dbraw/zinc/35/72/74/1034357274.db2.gz OXYWJJMBMLZQKP-PWSUYJOCSA-N -1 3 353.375 2.720 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC12CC(Oc1nccc([O-])c1[N+](=O)[O-])C2 ZINC001225668167 1034358640 /nfs/dbraw/zinc/35/86/40/1034358640.db2.gz YZJMZHZEXJGHCP-UHFFFAOYSA-N -1 3 351.359 2.616 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1COCc2cc(Br)cnc21 ZINC001225666065 1034359778 /nfs/dbraw/zinc/35/97/78/1034359778.db2.gz FWODFLQCSTXFLU-SNVBAGLBSA-N -1 3 368.143 2.503 20 5 FFBDHM CCCc1cc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)[n-]c(=S)n1 ZINC001227423108 1035547549 /nfs/dbraw/zinc/54/75/49/1035547549.db2.gz VQKFTZWWJCQDNF-CQSZACIVSA-N -1 3 363.395 2.843 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228624300 1036212327 /nfs/dbraw/zinc/21/23/27/1036212327.db2.gz ZDODOFVHLGDHQG-JTQLQIEISA-N -1 3 359.338 2.688 20 5 FFBDHM Cc1[n-]c(=O)cc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1[N+](=O)[O-] ZINC001228687723 1036258266 /nfs/dbraw/zinc/25/82/66/1036258266.db2.gz ZYNFCEPZCZRTKP-UHFFFAOYSA-N -1 3 374.353 2.960 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H](C(=O)c2ccccn2)c2ccccn2)c1[N+](=O)[O-] ZINC001228686684 1036258429 /nfs/dbraw/zinc/25/84/29/1036258429.db2.gz QFWXINWMUOAJHC-GOSISDBHSA-N -1 3 366.333 2.797 20 5 FFBDHM C[C@H](CNC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC001536630188 1070024014 /nfs/dbraw/zinc/02/40/14/1070024014.db2.gz PGZCIBANYCSKGL-GFCCVEGCSA-N -1 3 351.362 2.970 20 5 FFBDHM Cc1cc(N2CCOCC2)cc2nc(-c3cc([O-])cc([N+](=O)[O-])c3)[nH]c21 ZINC001251389513 1039107103 /nfs/dbraw/zinc/10/71/03/1039107103.db2.gz NEIACVWVHOHPPM-UHFFFAOYSA-N -1 3 354.366 2.989 20 5 FFBDHM Cc1cc(N2CCOCC2)cc2[nH]c(-c3cc([O-])cc([N+](=O)[O-])c3)nc21 ZINC001251389513 1039107108 /nfs/dbraw/zinc/10/71/08/1039107108.db2.gz NEIACVWVHOHPPM-UHFFFAOYSA-N -1 3 354.366 2.989 20 5 FFBDHM COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001210487988 1039577977 /nfs/dbraw/zinc/57/79/77/1039577977.db2.gz IUXAWQFHKNRMLH-CYBMUJFWSA-N -1 3 370.452 2.501 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC23CCCC3)c(Cl)c1 ZINC001213978886 1041134643 /nfs/dbraw/zinc/13/46/43/1041134643.db2.gz SVJGEJNSYSRRBA-ZDUSSCGKSA-N -1 3 360.819 2.628 20 5 FFBDHM CCOC(=O)c1noc([N-]C(=O)c2c(OCC)cccc2[N+](=O)[O-])c1C ZINC001538655649 1070469011 /nfs/dbraw/zinc/46/90/11/1070469011.db2.gz XJBWUPLFFBQEFL-UHFFFAOYSA-N -1 3 363.326 2.719 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC2(O)CCC(C)(C)CC2)c([N+](=O)[O-])s1 ZINC001309709718 1043489895 /nfs/dbraw/zinc/48/98/95/1043489895.db2.gz MBHHJXJAAAADJK-UHFFFAOYSA-N -1 3 362.473 2.574 20 5 FFBDHM O=C(Nc1ccc([C@@H](O)C(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001302498807 1051125922 /nfs/dbraw/zinc/12/59/22/1051125922.db2.gz UORXLOFYAROPFM-LLVKDONJSA-N -1 3 357.244 2.543 20 5 FFBDHM CCOC(=O)Cc1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001352192553 1055263643 /nfs/dbraw/zinc/26/36/43/1055263643.db2.gz KJGYLECYYNREPS-UHFFFAOYSA-N -1 3 353.331 2.548 20 5 FFBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cccc2nc3ccccc3nc21 ZINC001475803585 1056688814 /nfs/dbraw/zinc/68/88/14/1056688814.db2.gz SDGPIOCKVHEQBL-UHFFFAOYSA-N -1 3 354.391 2.891 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001455446578 1059790103 /nfs/dbraw/zinc/79/01/03/1059790103.db2.gz GPFJCLWAIXWXLA-LLVKDONJSA-N -1 3 355.350 2.916 20 5 FFBDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001475278082 1061030187 /nfs/dbraw/zinc/03/01/87/1061030187.db2.gz IOLSGKBOCYBDLZ-UHFFFAOYSA-N -1 3 371.390 2.861 20 5 FFBDHM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC001475759818 1061258865 /nfs/dbraw/zinc/25/88/65/1061258865.db2.gz OZJALUSSLBKVJS-LLVKDONJSA-N -1 3 362.835 2.874 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001469715166 1064199257 /nfs/dbraw/zinc/19/92/57/1064199257.db2.gz MYUSWOCTEONDOO-ZIAGYGMSSA-N -1 3 358.398 2.608 20 5 FFBDHM COc1cc(CN[C@H]2CCN(C(C)=O)c3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC001474073974 1065452204 /nfs/dbraw/zinc/45/22/04/1065452204.db2.gz UXHLBZZONMKKAS-HNNXBMFYSA-N -1 3 371.393 2.897 20 5 FFBDHM Cc1cc(NC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001580979414 1078900717 /nfs/dbraw/zinc/90/07/17/1078900717.db2.gz MIKVNOFSBNMTSD-LBPRGKRZSA-N -1 3 366.381 2.901 20 5 FFBDHM Cc1cc(NC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001580979414 1078900722 /nfs/dbraw/zinc/90/07/22/1078900722.db2.gz MIKVNOFSBNMTSD-LBPRGKRZSA-N -1 3 366.381 2.901 20 5 FFBDHM Cc1cc(Oc2cc(C=O)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581043026 1078910092 /nfs/dbraw/zinc/91/00/92/1078910092.db2.gz PIJZWYIVZFDSBY-UHFFFAOYSA-N -1 3 370.281 2.596 20 5 FFBDHM Cc1cc(Oc2cc(C=O)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581043026 1078910104 /nfs/dbraw/zinc/91/01/04/1078910104.db2.gz PIJZWYIVZFDSBY-UHFFFAOYSA-N -1 3 370.281 2.596 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001557150304 1075814990 /nfs/dbraw/zinc/81/49/90/1075814990.db2.gz YGPBZDHGRQVNOC-UHFFFAOYSA-N -1 3 364.333 2.973 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001557150304 1075814994 /nfs/dbraw/zinc/81/49/94/1075814994.db2.gz YGPBZDHGRQVNOC-UHFFFAOYSA-N -1 3 364.333 2.973 20 5 FFBDHM Cc1c[nH]c(C2([N-]C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC001558083482 1075938913 /nfs/dbraw/zinc/93/89/13/1075938913.db2.gz NRLGLBJEXGUDQD-UHFFFAOYSA-N -1 3 350.325 2.914 20 5 FFBDHM CS(=O)(=O)c1ccc(NCCc2c(F)cc([O-])cc2F)c([N+](=O)[O-])c1 ZINC001559287621 1076146111 /nfs/dbraw/zinc/14/61/11/1076146111.db2.gz XXLJSCDWORIAQM-UHFFFAOYSA-N -1 3 372.349 2.637 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])s1 ZINC001561467610 1076380111 /nfs/dbraw/zinc/38/01/11/1076380111.db2.gz ZFNFHCQAINQNHQ-CQSZACIVSA-N -1 3 362.473 2.574 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC001561621059 1076399543 /nfs/dbraw/zinc/39/95/43/1076399543.db2.gz FYNJKEDTKMNVSF-QFYYESIMSA-N -1 3 366.370 2.843 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001561673351 1076405442 /nfs/dbraw/zinc/40/54/42/1076405442.db2.gz AQJJWLLYKBGSIT-ZDUSSCGKSA-N -1 3 374.434 2.652 20 5 FFBDHM COc1c([O-])ccc(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1[N+](=O)[O-] ZINC001574177077 1077916156 /nfs/dbraw/zinc/91/61/56/1077916156.db2.gz HNBAQLWAYZMVSE-ADEWGFFLSA-N -1 3 352.387 2.534 20 5 FFBDHM O=C([N-][C@@H]1COc2cc(F)ccc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001586629212 1079659363 /nfs/dbraw/zinc/65/93/63/1079659363.db2.gz NVQIUUDIFVVCFK-ZDUSSCGKSA-N -1 3 366.295 2.946 20 5 FFBDHM CC(=O)c1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001588915921 1080262543 /nfs/dbraw/zinc/26/25/43/1080262543.db2.gz XGRIWEMFGGGUAN-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(=O)c1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001588915921 1080262550 /nfs/dbraw/zinc/26/25/50/1080262550.db2.gz XGRIWEMFGGGUAN-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(C)(C)SCCSc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001589208949 1080419144 /nfs/dbraw/zinc/41/91/44/1080419144.db2.gz KGGMMMMMIQXAQY-UHFFFAOYSA-N -1 3 354.461 2.981 20 5 FFBDHM CC(C)(C)SCCSc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001589208949 1080419147 /nfs/dbraw/zinc/41/91/47/1080419147.db2.gz KGGMMMMMIQXAQY-UHFFFAOYSA-N -1 3 354.461 2.981 20 5 FFBDHM CC(C)(C)c1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001589227678 1080432708 /nfs/dbraw/zinc/43/27/08/1080432708.db2.gz GZVHNXDVWBYIGV-UHFFFAOYSA-N -1 3 369.385 2.785 20 5 FFBDHM CC(C)(C)c1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001589227678 1080432711 /nfs/dbraw/zinc/43/27/11/1080432711.db2.gz GZVHNXDVWBYIGV-UHFFFAOYSA-N -1 3 369.385 2.785 20 5 FFBDHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001589504740 1080570640 /nfs/dbraw/zinc/57/06/40/1080570640.db2.gz YYRRFZDPZWVEDR-DTWKUNHWSA-N -1 3 350.766 2.659 20 5 FFBDHM CC(C)[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001589504740 1080570644 /nfs/dbraw/zinc/57/06/44/1080570644.db2.gz YYRRFZDPZWVEDR-DTWKUNHWSA-N -1 3 350.766 2.659 20 5 FFBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc([N+](=O)[O-])s1 ZINC001589625968 1080640229 /nfs/dbraw/zinc/64/02/29/1080640229.db2.gz MDZDVXFPEVSSLH-UHFFFAOYSA-N -1 3 359.415 2.894 20 5 FFBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc([N+](=O)[O-])s1 ZINC001589625968 1080640237 /nfs/dbraw/zinc/64/02/37/1080640237.db2.gz MDZDVXFPEVSSLH-UHFFFAOYSA-N -1 3 359.415 2.894 20 5 FFBDHM CC(C)c1noc(CSCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC001589779598 1080735069 /nfs/dbraw/zinc/73/50/69/1080735069.db2.gz NQBKMOLEOXSPIA-UHFFFAOYSA-N -1 3 361.387 2.715 20 5 FFBDHM CC(C)c1noc(CSCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC001589779598 1080735076 /nfs/dbraw/zinc/73/50/76/1080735076.db2.gz NQBKMOLEOXSPIA-UHFFFAOYSA-N -1 3 361.387 2.715 20 5 FFBDHM CC(C)c1occc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589781086 1080736374 /nfs/dbraw/zinc/73/63/74/1080736374.db2.gz KWBDAAZLEZGRDH-UHFFFAOYSA-N -1 3 357.326 2.848 20 5 FFBDHM CC(C)c1occc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589781086 1080736386 /nfs/dbraw/zinc/73/63/86/1080736386.db2.gz KWBDAAZLEZGRDH-UHFFFAOYSA-N -1 3 357.326 2.848 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589945570 1080888867 /nfs/dbraw/zinc/88/88/67/1080888867.db2.gz XYQFNMLDPHXPMK-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589945570 1080888871 /nfs/dbraw/zinc/88/88/71/1080888871.db2.gz XYQFNMLDPHXPMK-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](O)C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589999616 1080928873 /nfs/dbraw/zinc/92/88/73/1080928873.db2.gz YJHQYMONPLYLLC-GXTWGEPZSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@H](O)C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589999616 1080928876 /nfs/dbraw/zinc/92/88/76/1080928876.db2.gz YJHQYMONPLYLLC-GXTWGEPZSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@]1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001590134321 1081040753 /nfs/dbraw/zinc/04/07/53/1081040753.db2.gz VURVFZCQSVWXMW-INIZCTEOSA-N -1 3 358.402 2.926 20 5 FFBDHM C[C@]1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCOC2(CCC2)C1 ZINC001590134321 1081040762 /nfs/dbraw/zinc/04/07/62/1081040762.db2.gz VURVFZCQSVWXMW-INIZCTEOSA-N -1 3 358.402 2.926 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000104760514 250185708 /nfs/dbraw/zinc/18/57/08/250185708.db2.gz HOEMCIIETSYMMR-ZDUSSCGKSA-N -1 3 355.441 2.930 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCN(C2CCCC2)C1 ZINC000106891574 250296818 /nfs/dbraw/zinc/29/68/18/250296818.db2.gz DABJBDNIDGFLBM-GFCCVEGCSA-N -1 3 373.862 2.543 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCc3c[nH]nc32)c1 ZINC000272570266 252070862 /nfs/dbraw/zinc/07/08/62/252070862.db2.gz WMCDIPAASLIXOH-SNVBAGLBSA-N -1 3 370.818 2.636 20 5 FFBDHM CCOC(=O)C(C)(C)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000288407694 257185665 /nfs/dbraw/zinc/18/56/65/257185665.db2.gz BUCDRSUJRBABSO-UHFFFAOYSA-N -1 3 353.356 2.737 20 5 FFBDHM CCOc1cccc(N2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000302226048 258096597 /nfs/dbraw/zinc/09/65/97/258096597.db2.gz PGADYJDVBRMBEH-UHFFFAOYSA-N -1 3 371.393 2.662 20 5 FFBDHM O=C(c1ccccc1[O-])N1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301766620 258066670 /nfs/dbraw/zinc/06/66/70/258066670.db2.gz DBUNOJOBKFYSKK-UHFFFAOYSA-N -1 3 363.320 2.541 20 5 FFBDHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000331209635 258179709 /nfs/dbraw/zinc/17/97/09/258179709.db2.gz QOTXDYKBCQZJAN-GXTWGEPZSA-N -1 3 374.484 2.946 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c2ncccc12 ZINC000332292512 258223648 /nfs/dbraw/zinc/22/36/48/258223648.db2.gz CVNXOCBMQYPXHC-UHFFFAOYSA-N -1 3 371.365 2.999 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2nc3c(s2)CSCC3)c1[N+](=O)[O-] ZINC000376110704 512665736 /nfs/dbraw/zinc/66/57/36/512665736.db2.gz DYHGVIYPQXGQCA-UHFFFAOYSA-N -1 3 353.429 2.769 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C12CC3CC(CC(C3)C1)C2 ZINC000052781755 506249680 /nfs/dbraw/zinc/24/96/80/506249680.db2.gz KRPATYZSPFBMEF-UHFFFAOYSA-N -1 3 366.439 2.851 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C)c(F)c1 ZINC000032409898 506250093 /nfs/dbraw/zinc/25/00/93/506250093.db2.gz XEMGRMMHTBEFNW-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CC(C)NC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000054302489 506535161 /nfs/dbraw/zinc/53/51/61/506535161.db2.gz ZAOUUKHECBEJGS-UHFFFAOYSA-N -1 3 367.365 2.862 20 5 FFBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000056013638 506910674 /nfs/dbraw/zinc/91/06/74/506910674.db2.gz DGQLIMAFWBFGIL-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM COCCOCc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000056980373 507138120 /nfs/dbraw/zinc/13/81/20/507138120.db2.gz CDKQWPRKAKMXPS-UHFFFAOYSA-N -1 3 370.365 2.886 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)cc1C ZINC000060441905 507544783 /nfs/dbraw/zinc/54/47/83/507544783.db2.gz UUXZCSRPTCPZHT-UHFFFAOYSA-N -1 3 369.487 2.754 20 5 FFBDHM CSc1ccccc1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000028604601 507731788 /nfs/dbraw/zinc/73/17/88/507731788.db2.gz RQLCOMBBPHXWRX-UHFFFAOYSA-N -1 3 366.420 2.973 20 5 FFBDHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000029971830 507798034 /nfs/dbraw/zinc/79/80/34/507798034.db2.gz SNLBVEPZDYCCIG-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000030493889 507809334 /nfs/dbraw/zinc/80/93/34/507809334.db2.gz SZUSBYSRMRIWOA-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000072992956 507882178 /nfs/dbraw/zinc/88/21/78/507882178.db2.gz RBWBLVHSFOWSOV-QMMMGPOBSA-N -1 3 359.791 2.893 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)Oc1ccccc1 ZINC000078705827 507898764 /nfs/dbraw/zinc/89/87/64/507898764.db2.gz UEMVMHCOGWOKIA-ZDUSSCGKSA-N -1 3 350.396 2.649 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000111350013 508092635 /nfs/dbraw/zinc/09/26/35/508092635.db2.gz KNZTXZSOABUEQW-ZDUSSCGKSA-N -1 3 362.407 2.612 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cs1 ZINC000111363270 508093895 /nfs/dbraw/zinc/09/38/95/508093895.db2.gz KWXKOPWJAZTFTG-VIFPVBQESA-N -1 3 371.440 2.662 20 5 FFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000081011826 508124943 /nfs/dbraw/zinc/12/49/43/508124943.db2.gz LVFKKXKUMMPEIT-AWEZNQCLSA-N -1 3 355.394 2.819 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000152310578 508420722 /nfs/dbraw/zinc/42/07/22/508420722.db2.gz VGAIPBMGCZWSDI-NSHDSACASA-N -1 3 368.436 2.905 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(CN3CCC[C@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000116206652 508486592 /nfs/dbraw/zinc/48/65/92/508486592.db2.gz BLQMIWPWPUMONK-VIFPVBQESA-N -1 3 364.431 2.567 20 5 FFBDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000128061347 508541959 /nfs/dbraw/zinc/54/19/59/508541959.db2.gz JRIHPHICIACLCH-UHFFFAOYSA-N -1 3 354.326 2.800 20 5 FFBDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000128061347 508541962 /nfs/dbraw/zinc/54/19/62/508541962.db2.gz JRIHPHICIACLCH-UHFFFAOYSA-N -1 3 354.326 2.800 20 5 FFBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000128061347 508541966 /nfs/dbraw/zinc/54/19/66/508541966.db2.gz JRIHPHICIACLCH-UHFFFAOYSA-N -1 3 354.326 2.800 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c1C ZINC000134646543 508554744 /nfs/dbraw/zinc/55/47/44/508554744.db2.gz KBXFMXZPMKQYCK-AWEZNQCLSA-N -1 3 368.455 2.982 20 5 FFBDHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000124154989 508790004 /nfs/dbraw/zinc/79/00/04/508790004.db2.gz UEVXKCAOULRYEK-LLVKDONJSA-N -1 3 364.851 2.571 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)s3)[n-]c21 ZINC000130969430 508872274 /nfs/dbraw/zinc/87/22/74/508872274.db2.gz VIDQUXUXKPZRQZ-UHFFFAOYSA-N -1 3 360.351 2.880 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])c(C)s3)nc21 ZINC000130969430 508872276 /nfs/dbraw/zinc/87/22/76/508872276.db2.gz VIDQUXUXKPZRQZ-UHFFFAOYSA-N -1 3 360.351 2.880 20 5 FFBDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000159872670 508904257 /nfs/dbraw/zinc/90/42/57/508904257.db2.gz VQQYWSHNQDFUPP-MRVPVSSYSA-N -1 3 373.818 2.763 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000125291111 508960519 /nfs/dbraw/zinc/96/05/19/508960519.db2.gz NKSYMAPEICIYGI-GFCCVEGCSA-N -1 3 352.368 2.552 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc([O-])c(Br)c1 ZINC000151597712 509050163 /nfs/dbraw/zinc/05/01/63/509050163.db2.gz WSVJFIGBHUPFJY-UHFFFAOYSA-N -1 3 365.183 2.922 20 5 FFBDHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000182410432 509224837 /nfs/dbraw/zinc/22/48/37/509224837.db2.gz PHLFXAPQQGVHEB-UHFFFAOYSA-N -1 3 372.834 2.579 20 5 FFBDHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000173461659 509614544 /nfs/dbraw/zinc/61/45/44/509614544.db2.gz PTWBEADCQIGEIW-CYBMUJFWSA-N -1 3 353.425 2.789 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(OCCN(C)C)c1 ZINC000180046778 509723735 /nfs/dbraw/zinc/72/37/35/509723735.db2.gz BNYWESVXJPVISG-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000186482356 509731560 /nfs/dbraw/zinc/73/15/60/509731560.db2.gz GHWQJNRJIFPJLT-JTQLQIEISA-N -1 3 355.441 2.750 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCOC2CCCC2)c1[N+](=O)[O-] ZINC000189920517 509829835 /nfs/dbraw/zinc/82/98/35/509829835.db2.gz GEXFSRZLMOFLEB-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccncc1[N+](=O)[O-] ZINC000183557304 509859927 /nfs/dbraw/zinc/85/99/27/509859927.db2.gz CPORDPWNNCADDU-UHFFFAOYSA-N -1 3 367.159 2.780 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000190152479 509972404 /nfs/dbraw/zinc/97/24/04/509972404.db2.gz JFCMOCDUHHVNHR-CQSZACIVSA-N -1 3 356.444 2.839 20 5 FFBDHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c21 ZINC000177731594 510223811 /nfs/dbraw/zinc/22/38/11/510223811.db2.gz DOINAHBQFMCCHH-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c[nH]c21 ZINC000177737410 510226601 /nfs/dbraw/zinc/22/66/01/510226601.db2.gz LUAJDBDLVOKVMX-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)c1[N+](=O)[O-] ZINC000181006486 510235581 /nfs/dbraw/zinc/23/55/81/510235581.db2.gz VLVZXPNBFZKABN-UHFFFAOYSA-N -1 3 363.399 2.744 20 5 FFBDHM CN1CCC(N(Cc2ccco2)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269276119 510319494 /nfs/dbraw/zinc/31/94/94/510319494.db2.gz IRONCMOKXNEIBW-UHFFFAOYSA-N -1 3 359.382 2.630 20 5 FFBDHM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000187723012 510403625 /nfs/dbraw/zinc/40/36/25/510403625.db2.gz NJTFWHHQKABOOU-LBPRGKRZSA-N -1 3 364.427 2.747 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000175147804 510505288 /nfs/dbraw/zinc/50/52/88/510505288.db2.gz PIZZZGGGBROYKV-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000184794709 510517777 /nfs/dbraw/zinc/51/77/77/510517777.db2.gz GZROPPHBCPZSEL-UHFFFAOYSA-N -1 3 357.366 2.676 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C)cc2Br)n1 ZINC000191686999 510786284 /nfs/dbraw/zinc/78/62/84/510786284.db2.gz GCKNBUYXDPFNEB-UHFFFAOYSA-N -1 3 354.164 2.529 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)c1 ZINC000279905594 511261196 /nfs/dbraw/zinc/26/11/96/511261196.db2.gz VKAXGHYZAPGESK-VIFPVBQESA-N -1 3 350.849 2.588 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000298878958 511439493 /nfs/dbraw/zinc/43/94/93/511439493.db2.gz ZKQZHRFGJIUTGP-UHFFFAOYSA-N -1 3 365.411 2.779 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(CN3CCC(C)CC3)cs2)c1[N+](=O)[O-] ZINC000299445629 511638101 /nfs/dbraw/zinc/63/81/01/511638101.db2.gz NETWPVHNDDMZAX-UHFFFAOYSA-N -1 3 364.431 2.567 20 5 FFBDHM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311572397 511777501 /nfs/dbraw/zinc/77/75/01/511777501.db2.gz VAJMWKPVIBKFGI-OAHLLOKOSA-N -1 3 355.394 2.647 20 5 FFBDHM COc1ccc2c(c1)[C@@H](NCc1cc(OC)c([O-])cc1[N+](=O)[O-])CCO2 ZINC000274287965 511781612 /nfs/dbraw/zinc/78/16/12/511781612.db2.gz XIJXODAKBHFWRZ-AWEZNQCLSA-N -1 3 360.366 2.931 20 5 FFBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccccc1[N+](=O)[O-] ZINC000366060759 511816289 /nfs/dbraw/zinc/81/62/89/511816289.db2.gz MXERQXFVQRGIGE-UHFFFAOYSA-N -1 3 357.757 2.718 20 5 FFBDHM C[C@@H]1CN(c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000274964317 512000308 /nfs/dbraw/zinc/00/03/08/512000308.db2.gz LOPOIQDNMROWBE-TXEJJXNPSA-N -1 3 372.381 2.561 20 5 FFBDHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000297161504 512043278 /nfs/dbraw/zinc/04/32/78/512043278.db2.gz RWYMTAVNCWHIJM-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000372032334 512686594 /nfs/dbraw/zinc/68/65/94/512686594.db2.gz PDZCCSYAZXGTJX-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000372032334 512686597 /nfs/dbraw/zinc/68/65/97/512686597.db2.gz PDZCCSYAZXGTJX-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CNc3ccccc3C2)cc1C ZINC000404489358 512968920 /nfs/dbraw/zinc/96/89/20/512968920.db2.gz PRFJLMZEXVYPMN-AWEZNQCLSA-N -1 3 361.423 2.527 20 5 FFBDHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000412397891 513064706 /nfs/dbraw/zinc/06/47/06/513064706.db2.gz FKGUQQBMDHZCHC-UHFFFAOYSA-N -1 3 364.446 2.668 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2noc3c2C[C@@H](C)CC3)cc([N+](=O)[O-])c1 ZINC000433983717 513207017 /nfs/dbraw/zinc/20/70/17/513207017.db2.gz CQGSHKYBLOHSQG-VIFPVBQESA-N -1 3 359.338 2.747 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN2CCC[C@H](C)C2)cc1C ZINC000440077456 513241262 /nfs/dbraw/zinc/24/12/62/513241262.db2.gz LFWFUPGXMAVFSJ-SWLSCSKDSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1cc(=O)c2cc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc2[nH]1 ZINC000430208821 513588283 /nfs/dbraw/zinc/58/82/83/513588283.db2.gz PMPHDAQGHYBWHM-UHFFFAOYSA-N -1 3 363.333 2.873 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c(F)c1 ZINC000435595762 513630124 /nfs/dbraw/zinc/63/01/24/513630124.db2.gz FKQMGEIIBIBLDV-JOCQHMNTSA-N -1 3 350.371 2.958 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436199756 513792075 /nfs/dbraw/zinc/79/20/75/513792075.db2.gz QMTLMPJFVBIOHN-AWEZNQCLSA-N -1 3 368.386 2.708 20 5 FFBDHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000416498586 513802827 /nfs/dbraw/zinc/80/28/27/513802827.db2.gz WEGGHERDTMYSGQ-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000416590901 513852769 /nfs/dbraw/zinc/85/27/69/513852769.db2.gz KEAIAPSKFHSQEJ-BLLLJJGKSA-N -1 3 356.444 2.694 20 5 FFBDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000416590912 513853389 /nfs/dbraw/zinc/85/33/89/513853389.db2.gz KEAIAPSKFHSQEJ-WBMJQRKESA-N -1 3 356.444 2.694 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)cc1C ZINC000416594650 513855677 /nfs/dbraw/zinc/85/56/77/513855677.db2.gz KVKPSCQPHAWDQT-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM CC1(F)CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000451627234 513872999 /nfs/dbraw/zinc/87/29/99/513872999.db2.gz BEEWFIWZZXQLEI-UHFFFAOYSA-N -1 3 356.297 2.783 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2COCc3ccccc32)c1[N+](=O)[O-] ZINC000416647135 513887178 /nfs/dbraw/zinc/88/71/78/513887178.db2.gz LWJVSFKYPDVGCD-OAHLLOKOSA-N -1 3 362.407 2.761 20 5 FFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2O1 ZINC000451721082 513936617 /nfs/dbraw/zinc/93/66/17/513936617.db2.gz WKLQKRSEAIKXBM-MWLCHTKSSA-N -1 3 354.409 2.847 20 5 FFBDHM C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccccc1 ZINC000436752839 513966756 /nfs/dbraw/zinc/96/67/56/513966756.db2.gz YSXNXVVTANUJFX-SUMWQHHRSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000451830949 514010190 /nfs/dbraw/zinc/01/01/90/514010190.db2.gz YZKWXGBHTRNVCZ-UKRRQHHQSA-N -1 3 356.444 2.633 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436953271 514047777 /nfs/dbraw/zinc/04/77/77/514047777.db2.gz NQASEVWAHRIKAY-BBRMVZONSA-N -1 3 355.394 2.866 20 5 FFBDHM COc1cc(CNc2cccc([C@@H]3CCC(=O)N3)c2)c([N+](=O)[O-])cc1[O-] ZINC000414539332 514169713 /nfs/dbraw/zinc/16/97/13/514169713.db2.gz NDYZWLCBTUAPBX-AWEZNQCLSA-N -1 3 357.366 2.872 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c([N+](=O)[O-])c1 ZINC000420705952 514251670 /nfs/dbraw/zinc/25/16/70/514251670.db2.gz KROWBAOAMCRLQY-GFCCVEGCSA-N -1 3 356.469 2.715 20 5 FFBDHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427913743 514345326 /nfs/dbraw/zinc/34/53/26/514345326.db2.gz LSNOLXPPTAPSAJ-HNNXBMFYSA-N -1 3 361.423 2.929 20 5 FFBDHM COc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc([N+](=O)[O-])c1OC ZINC000439017172 514483860 /nfs/dbraw/zinc/48/38/60/514483860.db2.gz AQERAOMDSKMBMF-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM Cc1ccc(-c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)c([O-])c1 ZINC000445727561 514511482 /nfs/dbraw/zinc/51/14/82/514511482.db2.gz VHDMOKJPRYIIAA-UHFFFAOYSA-N -1 3 368.349 2.518 20 5 FFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000466557389 514689839 /nfs/dbraw/zinc/68/98/39/514689839.db2.gz VMZMIHMNSQCHLX-GJZGRUSLSA-N -1 3 374.846 2.732 20 5 FFBDHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1(C)C ZINC000466870632 514808680 /nfs/dbraw/zinc/80/86/80/514808680.db2.gz BKNCMPKBLNXSDM-GDBMZVCRSA-N -1 3 356.444 2.694 20 5 FFBDHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000466883982 514813187 /nfs/dbraw/zinc/81/31/87/514813187.db2.gz SXQKFZYHOLXKOV-TZMCWYRMSA-N -1 3 362.835 2.730 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000467043077 514873725 /nfs/dbraw/zinc/87/37/25/514873725.db2.gz DRVAHIYEBLPUIU-NSHDSACASA-N -1 3 354.409 2.636 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cn3ccnc3s2)c(C)c([N+](=O)[O-])c1 ZINC000489752954 514961345 /nfs/dbraw/zinc/96/13/45/514961345.db2.gz GGSJCFRIUVXPJU-UHFFFAOYSA-N -1 3 360.351 2.651 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000462309579 514986828 /nfs/dbraw/zinc/98/68/28/514986828.db2.gz BHWBTOLVKOIJOP-UONOGXRCSA-N -1 3 374.846 2.874 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c(F)cc1F ZINC000480898132 515128351 /nfs/dbraw/zinc/12/83/51/515128351.db2.gz MKTLLCRZAQXXSO-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)CC1 ZINC000503766185 515137334 /nfs/dbraw/zinc/13/73/34/515137334.db2.gz UUABCOGPDLFHQA-UHFFFAOYSA-N -1 3 357.414 2.706 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccccc2)c1C ZINC000480938072 515141950 /nfs/dbraw/zinc/14/19/50/515141950.db2.gz QQWBEEMULWYFDI-UHFFFAOYSA-N -1 3 350.396 2.569 20 5 FFBDHM CC(C)(C)OC(=O)CCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000503842446 515151840 /nfs/dbraw/zinc/15/18/40/515151840.db2.gz DOWQBODRZJXNDX-UHFFFAOYSA-N -1 3 372.443 2.775 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000481018925 515175148 /nfs/dbraw/zinc/17/51/48/515175148.db2.gz FQPNYHKUMADAMC-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCC2 ZINC000462660476 515175365 /nfs/dbraw/zinc/17/53/65/515175365.db2.gz RVKVYKLMDQXGFY-LSDHHAIUSA-N -1 3 372.418 2.750 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)c1[N+](=O)[O-] ZINC000481073852 515196930 /nfs/dbraw/zinc/19/69/30/515196930.db2.gz QDXXVODGVUFOLP-UHFFFAOYSA-N -1 3 363.439 2.756 20 5 FFBDHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000462719495 515212054 /nfs/dbraw/zinc/21/20/54/515212054.db2.gz FMSONYQNRWDSFH-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000490626435 515267657 /nfs/dbraw/zinc/26/76/57/515267657.db2.gz OAGOHBQOIALMSG-UHFFFAOYSA-N -1 3 360.407 2.847 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000481269945 515271358 /nfs/dbraw/zinc/27/13/58/515271358.db2.gz TUABKNAZSOPQBV-UHFFFAOYSA-N -1 3 352.387 2.953 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000509766649 515317296 /nfs/dbraw/zinc/31/72/96/515317296.db2.gz JOWRTGHPGNNMEA-CQSZACIVSA-N -1 3 363.439 2.706 20 5 FFBDHM COc1cc(CNc2ccncc2Br)c([N+](=O)[O-])cc1[O-] ZINC000486363159 515452587 /nfs/dbraw/zinc/45/25/87/515452587.db2.gz FVDSOOMAIIZYSA-UHFFFAOYSA-N -1 3 354.160 2.501 20 5 FFBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491610247 515461418 /nfs/dbraw/zinc/46/14/18/515461418.db2.gz OVHFDVBSVXEISR-SECBINFHSA-N -1 3 366.436 2.553 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000510625915 515613357 /nfs/dbraw/zinc/61/33/57/515613357.db2.gz AXKXTJUJORKBKS-ZDUSSCGKSA-N -1 3 364.851 2.978 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000511014432 515746557 /nfs/dbraw/zinc/74/65/57/515746557.db2.gz NBDGZTHSSGWKEO-MRVPVSSYSA-N -1 3 366.424 2.881 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)cc1C ZINC000487081170 515748682 /nfs/dbraw/zinc/74/86/82/515748682.db2.gz WZMNGMNGAUUNFP-YOEHRIQHSA-N -1 3 370.471 2.941 20 5 FFBDHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000478787814 515963950 /nfs/dbraw/zinc/96/39/50/515963950.db2.gz KWLPMROEYLRLOA-INIZCTEOSA-N -1 3 372.443 2.549 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC000511856042 516055202 /nfs/dbraw/zinc/05/52/02/516055202.db2.gz UPWQCNCJNAXBEI-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM CC(C)CS(=O)(=O)[N-][C@@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000507564183 516245982 /nfs/dbraw/zinc/24/59/82/516245982.db2.gz XHJFOCPZDMJWQD-AWEZNQCLSA-N -1 3 372.443 2.553 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000460915568 516282478 /nfs/dbraw/zinc/28/24/78/516282478.db2.gz WUQXBGRCKZMIPV-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539947172 516367666 /nfs/dbraw/zinc/36/76/66/516367666.db2.gz ODOWDIDGGOGELI-BZNIZROVSA-N -1 3 368.386 2.788 20 5 FFBDHM CCc1ccc([O-])c(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000523322365 516434060 /nfs/dbraw/zinc/43/40/60/516434060.db2.gz HCTQAXVZNDEHSQ-UHFFFAOYSA-N -1 3 374.393 2.853 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000544099935 516581816 /nfs/dbraw/zinc/58/18/16/516581816.db2.gz LCBGSMPLSHZGAQ-JTQLQIEISA-N -1 3 350.849 2.812 20 5 FFBDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000561559440 516652131 /nfs/dbraw/zinc/65/21/31/516652131.db2.gz KPHNFQIEPRKDBY-HWPZZCPQSA-N -1 3 366.370 2.676 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc(F)c(F)cc2F)cc([N+](=O)[O-])c1 ZINC000519137780 516898173 /nfs/dbraw/zinc/89/81/73/516898173.db2.gz PCODMIPWNDZDRV-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000544848092 516957615 /nfs/dbraw/zinc/95/76/15/516957615.db2.gz DNAKAFXBYDUYRK-MRVPVSSYSA-N -1 3 356.322 2.613 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000514729899 517028001 /nfs/dbraw/zinc/02/80/01/517028001.db2.gz KOZUATITWAQMBH-IAGOWNOFSA-N -1 3 356.378 2.904 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000525461151 517047425 /nfs/dbraw/zinc/04/74/25/517047425.db2.gz GUPZWCHMZIFEFM-CYBMUJFWSA-N -1 3 364.423 2.994 20 5 FFBDHM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000562472609 517130435 /nfs/dbraw/zinc/13/04/35/517130435.db2.gz ZWUDFGHTCYJUDS-UHFFFAOYSA-N -1 3 373.365 2.832 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3OC)[n-]c21 ZINC000533010459 517248371 /nfs/dbraw/zinc/24/83/71/517248371.db2.gz VRHVEOQIPRXCML-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])ccc3OC)nc21 ZINC000533010459 517248376 /nfs/dbraw/zinc/24/83/76/517248376.db2.gz VRHVEOQIPRXCML-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc([C@H]3C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000515707149 517451730 /nfs/dbraw/zinc/45/17/30/517451730.db2.gz KOJQFKSRRONQOI-GWCFXTLKSA-N -1 3 366.395 2.798 20 5 FFBDHM CN(C)C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000549621817 517640699 /nfs/dbraw/zinc/64/06/99/517640699.db2.gz GQXRESFSDOIALU-INIZCTEOSA-N -1 3 363.801 2.987 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000542759596 517720703 /nfs/dbraw/zinc/72/07/03/517720703.db2.gz BYTCPRXBGWXJGE-ZDUSSCGKSA-N -1 3 368.411 2.861 20 5 FFBDHM COCc1nc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)co1 ZINC000560388090 517759872 /nfs/dbraw/zinc/75/98/72/517759872.db2.gz SSHNUNBGVJSISW-UHFFFAOYSA-N -1 3 356.132 2.744 20 5 FFBDHM COC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000550105834 517865376 /nfs/dbraw/zinc/86/53/76/517865376.db2.gz VBQVCJLDTIWHIM-IBGZPJMESA-N -1 3 356.378 2.617 20 5 FFBDHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000522135172 517997647 /nfs/dbraw/zinc/99/76/47/517997647.db2.gz WSSWASHAXUKQPT-JTQLQIEISA-N -1 3 356.379 2.551 20 5 FFBDHM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000539383495 518020613 /nfs/dbraw/zinc/02/06/13/518020613.db2.gz ARXSSAJHPKKABA-OXHMUOHRSA-N -1 3 362.835 2.586 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000550431043 518050993 /nfs/dbraw/zinc/05/09/93/518050993.db2.gz VRVDMTVZOUCVMX-VIFPVBQESA-N -1 3 371.802 2.691 20 5 FFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]c1nncn1-c1ccccc1 ZINC000539515806 518084713 /nfs/dbraw/zinc/08/47/13/518084713.db2.gz ULQAURKFBHWWPA-UHFFFAOYSA-N -1 3 362.349 2.769 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](N2CCCCC2)C1 ZINC000581609992 518369957 /nfs/dbraw/zinc/36/99/57/518369957.db2.gz WGFFSCXCYHGWRI-LBPRGKRZSA-N -1 3 353.806 2.654 20 5 FFBDHM CC(=O)c1cccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1[O-] ZINC000579280415 518605689 /nfs/dbraw/zinc/60/56/89/518605689.db2.gz YVUHLUVGKJRLER-UHFFFAOYSA-N -1 3 366.333 2.941 20 5 FFBDHM O=C([O-])[C@H](CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000582306280 518690317 /nfs/dbraw/zinc/69/03/17/518690317.db2.gz ISPXYGWFJHFVIE-QGZVFWFLSA-N -1 3 369.421 2.975 20 5 FFBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000582754054 518904098 /nfs/dbraw/zinc/90/40/98/518904098.db2.gz CYKSGFMBJGGAHN-AWEZNQCLSA-N -1 3 370.452 2.694 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000582912280 518981366 /nfs/dbraw/zinc/98/13/66/518981366.db2.gz XSGBGRCTDOWYLF-OCCSQVGLSA-N -1 3 356.382 2.935 20 5 FFBDHM O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cn2)cc1 ZINC000577443895 519081535 /nfs/dbraw/zinc/08/15/35/519081535.db2.gz OJNKHBZEFLJDDZ-UHFFFAOYSA-N -1 3 374.320 2.769 20 5 FFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590557768 519264054 /nfs/dbraw/zinc/26/40/54/519264054.db2.gz JFIXSPDHTXIILU-UHFFFAOYSA-N -1 3 351.322 2.839 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2cccc(F)c2)c(F)cc1[N+](=O)[O-] ZINC000590589957 519277639 /nfs/dbraw/zinc/27/76/39/519277639.db2.gz QEIQGVSURSKVPU-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM COc1ccccc1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590589908 519278209 /nfs/dbraw/zinc/27/82/09/519278209.db2.gz ONECJNAXBTXGDH-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1cnc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C)c1 ZINC000594476789 519987390 /nfs/dbraw/zinc/98/73/90/519987390.db2.gz ZUEKITVMJXBKIY-UHFFFAOYSA-N -1 3 363.439 2.744 20 5 FFBDHM C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594540212 520017858 /nfs/dbraw/zinc/01/78/58/520017858.db2.gz QVZWRYLXLLPHMJ-KGYLQXTDSA-N -1 3 364.398 2.591 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccnc1N1CCCC1 ZINC000612735700 520116564 /nfs/dbraw/zinc/11/65/64/520116564.db2.gz IKBJFVHOCPFIBI-UHFFFAOYSA-N -1 3 362.411 2.532 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(c2ccccc2C)CC1 ZINC000592066551 520162835 /nfs/dbraw/zinc/16/28/35/520162835.db2.gz CBUQNUCZAZAFAW-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594800468 520164994 /nfs/dbraw/zinc/16/49/94/520164994.db2.gz GDRXETAIDGNAQJ-AWEZNQCLSA-N -1 3 356.444 2.695 20 5 FFBDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594802612 520165453 /nfs/dbraw/zinc/16/54/53/520165453.db2.gz YMESVZWDYILFIQ-CQSZACIVSA-N -1 3 356.444 2.695 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000594850653 520187933 /nfs/dbraw/zinc/18/79/33/520187933.db2.gz SLTQOHMHSLCAKE-UHFFFAOYSA-N -1 3 356.425 2.590 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(C2CC2)s1 ZINC000609202838 520230270 /nfs/dbraw/zinc/23/02/70/520230270.db2.gz XPUIAZWUIIGWQJ-UHFFFAOYSA-N -1 3 356.367 2.966 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2ccc(C)cc21 ZINC000609319493 520276390 /nfs/dbraw/zinc/27/63/90/520276390.db2.gz FFSYYADJZSIYQG-OAHLLOKOSA-N -1 3 362.407 2.878 20 5 FFBDHM Cn1ncc2c1nc(SCCCOc1ccc([N+](=O)[O-])cc1)[n-]c2=O ZINC000600585627 520344782 /nfs/dbraw/zinc/34/47/82/520344782.db2.gz HFMRDPQUOAUFSN-UHFFFAOYSA-N -1 3 361.383 2.538 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000595378284 520438031 /nfs/dbraw/zinc/43/80/31/520438031.db2.gz YVHKXCYGDOHCGJ-MRXNPFEDSA-N -1 3 356.444 2.610 20 5 FFBDHM COC(=O)c1sc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1C ZINC000598326008 520558625 /nfs/dbraw/zinc/55/86/25/520558625.db2.gz YVIAMRSCMRFKLP-UHFFFAOYSA-N -1 3 352.372 2.850 20 5 FFBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000610266095 520612696 /nfs/dbraw/zinc/61/26/96/520612696.db2.gz QEIJPYIGXZSAOQ-ZLKJLUDKSA-N -1 3 374.846 2.730 20 5 FFBDHM CCOc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c([N+](=O)[O-])cc1OC ZINC000592950078 520657742 /nfs/dbraw/zinc/65/77/42/520657742.db2.gz KFFMWGLVMBFKTI-UHFFFAOYSA-N -1 3 362.386 2.831 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](N(C)Cc3ccccc3)C2)n1 ZINC000592976099 520666602 /nfs/dbraw/zinc/66/66/02/520666602.db2.gz COKAMDJZZXMCGB-OAHLLOKOSA-N -1 3 370.409 2.707 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC000601475692 520806522 /nfs/dbraw/zinc/80/65/22/520806522.db2.gz KRTPORUTVXQKEJ-OCCSQVGLSA-N -1 3 368.436 2.773 20 5 FFBDHM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000598733887 520815127 /nfs/dbraw/zinc/81/51/27/520815127.db2.gz ARPCSERCJCBJQZ-SNVBAGLBSA-N -1 3 370.818 2.695 20 5 FFBDHM COc1cc(N[C@@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000596161366 520945291 /nfs/dbraw/zinc/94/52/91/520945291.db2.gz VZJMCSQFZSTUSU-GFCCVEGCSA-N -1 3 374.397 2.794 20 5 FFBDHM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593577489 521088445 /nfs/dbraw/zinc/08/84/45/521088445.db2.gz COVVTXFCQTUJGH-GFCCVEGCSA-N -1 3 367.452 2.757 20 5 FFBDHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000611314203 521093545 /nfs/dbraw/zinc/09/35/45/521093545.db2.gz ARBCAQAOKUSTCV-UHFFFAOYSA-N -1 3 362.835 2.610 20 5 FFBDHM CCC1(O)CCC([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000611314341 521093783 /nfs/dbraw/zinc/09/37/83/521093783.db2.gz RZIGUNMQJLLFLR-UHFFFAOYSA-N -1 3 356.444 2.574 20 5 FFBDHM O=C([O-])c1cnn(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000593752478 521194026 /nfs/dbraw/zinc/19/40/26/521194026.db2.gz NYSIJWYEUHSEEX-UHFFFAOYSA-N -1 3 374.397 2.596 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000599464862 521240962 /nfs/dbraw/zinc/24/09/62/521240962.db2.gz VDUVBBRDLVFPMG-CYBMUJFWSA-N -1 3 373.862 2.543 20 5 FFBDHM CSc1cccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1[N+](=O)[O-] ZINC000491070846 561442613 /nfs/dbraw/zinc/44/26/13/561442613.db2.gz URNCFUQXLDNBAC-UHFFFAOYSA-N -1 3 358.326 2.904 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc2c1OCO2 ZINC000522354087 562197457 /nfs/dbraw/zinc/19/74/57/562197457.db2.gz BACWTAFNGBUZQE-UHFFFAOYSA-N -1 3 352.306 2.966 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000471160068 560999379 /nfs/dbraw/zinc/99/93/79/560999379.db2.gz JDPZQPBJNMJFKW-UHFFFAOYSA-N -1 3 356.285 2.581 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CCCO)c1ccccc1 ZINC000738358719 598977935 /nfs/dbraw/zinc/97/79/35/598977935.db2.gz OGTKQDCTWXYSFA-AWEZNQCLSA-N -1 3 354.370 2.701 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CCCO)c1ccccc1 ZINC000738358719 598977936 /nfs/dbraw/zinc/97/79/36/598977936.db2.gz OGTKQDCTWXYSFA-AWEZNQCLSA-N -1 3 354.370 2.701 20 5 FFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000820275294 599066681 /nfs/dbraw/zinc/06/66/81/599066681.db2.gz OQTOGOQCZLNXJY-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000820275294 599066683 /nfs/dbraw/zinc/06/66/83/599066683.db2.gz OQTOGOQCZLNXJY-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820280668 599097121 /nfs/dbraw/zinc/09/71/21/599097121.db2.gz LQLUTEHNUXHQAD-QMMMGPOBSA-N -1 3 361.312 2.664 20 5 FFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820280668 599097124 /nfs/dbraw/zinc/09/71/24/599097124.db2.gz LQLUTEHNUXHQAD-QMMMGPOBSA-N -1 3 361.312 2.664 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000737290084 599248962 /nfs/dbraw/zinc/24/89/62/599248962.db2.gz BHIAMKKOEZCIHI-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000737290084 599248964 /nfs/dbraw/zinc/24/89/64/599248964.db2.gz BHIAMKKOEZCIHI-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000735662711 598490771 /nfs/dbraw/zinc/49/07/71/598490771.db2.gz WHPMZSFQAFFHLW-UHFFFAOYSA-N -1 3 361.387 2.645 20 5 FFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000735662711 598490773 /nfs/dbraw/zinc/49/07/73/598490773.db2.gz WHPMZSFQAFFHLW-UHFFFAOYSA-N -1 3 361.387 2.645 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738167748 598599459 /nfs/dbraw/zinc/59/94/59/598599459.db2.gz SZZOWSMFDYZKCH-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000738167748 598599461 /nfs/dbraw/zinc/59/94/61/598599461.db2.gz SZZOWSMFDYZKCH-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000736627642 598733342 /nfs/dbraw/zinc/73/33/42/598733342.db2.gz PCNRDTHDQSEAFZ-UHFFFAOYSA-N -1 3 359.317 2.892 20 5 FFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1c(F)cccc1[N+](=O)[O-] ZINC000736627642 598733344 /nfs/dbraw/zinc/73/33/44/598733344.db2.gz PCNRDTHDQSEAFZ-UHFFFAOYSA-N -1 3 359.317 2.892 20 5 FFBDHM O=[N+]([O-])c1cccc2c1ccn2CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000738368620 599364526 /nfs/dbraw/zinc/36/45/26/599364526.db2.gz GEFYDBLGYOJBJB-UHFFFAOYSA-N -1 3 350.338 2.809 20 5 FFBDHM CN(Cc1cc2ccccc2o1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821608465 606140709 /nfs/dbraw/zinc/14/07/09/606140709.db2.gz IOICBRVLQWQGLD-UHFFFAOYSA-N -1 3 351.326 2.553 20 5 FFBDHM CN(Cc1cc2ccccc2o1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821608465 606140710 /nfs/dbraw/zinc/14/07/10/606140710.db2.gz IOICBRVLQWQGLD-UHFFFAOYSA-N -1 3 351.326 2.553 20 5 FFBDHM CCN(C[C@H](O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821170455 606241308 /nfs/dbraw/zinc/24/13/08/606241308.db2.gz QXFPCJCMOUWZST-KRWDZBQOSA-N -1 3 368.397 2.643 20 5 FFBDHM CCN(C[C@H](O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821170455 606241310 /nfs/dbraw/zinc/24/13/10/606241310.db2.gz QXFPCJCMOUWZST-KRWDZBQOSA-N -1 3 368.397 2.643 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822228968 606449232 /nfs/dbraw/zinc/44/92/32/606449232.db2.gz JUAUXGQXGXXLCD-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228968 606449233 /nfs/dbraw/zinc/44/92/33/606449233.db2.gz JUAUXGQXGXXLCD-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM CCOc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821401282 606468573 /nfs/dbraw/zinc/46/85/73/606468573.db2.gz UWEUDLLAJUHVDQ-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820804442 606475050 /nfs/dbraw/zinc/47/50/50/606475050.db2.gz SJHDXLTXMUNYNC-SJKOYZFVSA-N -1 3 366.381 2.741 20 5 FFBDHM C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820804442 606475051 /nfs/dbraw/zinc/47/50/51/606475051.db2.gz SJHDXLTXMUNYNC-SJKOYZFVSA-N -1 3 366.381 2.741 20 5 FFBDHM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820919523 606540906 /nfs/dbraw/zinc/54/09/06/606540906.db2.gz DYLCYBJIDVUYRZ-LBPRGKRZSA-N -1 3 358.383 2.718 20 5 FFBDHM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820919523 606540907 /nfs/dbraw/zinc/54/09/07/606540907.db2.gz DYLCYBJIDVUYRZ-LBPRGKRZSA-N -1 3 358.383 2.718 20 5 FFBDHM CC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820919307 606588416 /nfs/dbraw/zinc/58/84/16/606588416.db2.gz BIVAOIPTEGJFHU-LBPRGKRZSA-N -1 3 358.383 2.718 20 5 FFBDHM CC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820919307 606588417 /nfs/dbraw/zinc/58/84/17/606588417.db2.gz BIVAOIPTEGJFHU-LBPRGKRZSA-N -1 3 358.383 2.718 20 5 FFBDHM O=[N+]([O-])c1cc(NC[C@@H]2CCN(c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000823634177 606645103 /nfs/dbraw/zinc/64/51/03/606645103.db2.gz BRRJUNRHTDRPDC-ZDUSSCGKSA-N -1 3 365.397 2.713 20 5 FFBDHM Cc1c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822105629 606666411 /nfs/dbraw/zinc/66/64/11/606666411.db2.gz WBKHKNDBYCEXBC-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822105629 606666412 /nfs/dbraw/zinc/66/64/12/606666412.db2.gz WBKHKNDBYCEXBC-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1cnn(-c2ccccc2F)c1 ZINC000823629958 606734078 /nfs/dbraw/zinc/73/40/78/606734078.db2.gz NWDMZEMPZUIFGA-UHFFFAOYSA-N -1 3 366.316 2.843 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1cnn(-c2ccccc2F)c1 ZINC000823629958 606734080 /nfs/dbraw/zinc/73/40/80/606734080.db2.gz NWDMZEMPZUIFGA-UHFFFAOYSA-N -1 3 366.316 2.843 20 5 FFBDHM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571714 606962977 /nfs/dbraw/zinc/96/29/77/606962977.db2.gz BSQVOKAQGWXYPU-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571714 606962979 /nfs/dbraw/zinc/96/29/79/606962979.db2.gz BSQVOKAQGWXYPU-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823647898 607159432 /nfs/dbraw/zinc/15/94/32/607159432.db2.gz PRHYLZPYLHQOQQ-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1CC ZINC000825771392 607820791 /nfs/dbraw/zinc/82/07/91/607820791.db2.gz KWKIVKSHOBGBEM-UHFFFAOYSA-N -1 3 371.426 2.982 20 5 FFBDHM CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1CC ZINC000825771392 607820792 /nfs/dbraw/zinc/82/07/92/607820792.db2.gz KWKIVKSHOBGBEM-UHFFFAOYSA-N -1 3 371.426 2.982 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1COc2ccccc21 ZINC000824657522 607850076 /nfs/dbraw/zinc/85/00/76/607850076.db2.gz QSTBTSYJICTBGK-YGRLFVJLSA-N -1 3 352.354 2.752 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000824657522 607850077 /nfs/dbraw/zinc/85/00/77/607850077.db2.gz QSTBTSYJICTBGK-YGRLFVJLSA-N -1 3 352.354 2.752 20 5 FFBDHM O=C(CCC1CCC1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405838 608163691 /nfs/dbraw/zinc/16/36/91/608163691.db2.gz WCMRNVWMJGQXLE-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM O=C(CCC1CCC1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405838 608163692 /nfs/dbraw/zinc/16/36/92/608163692.db2.gz WCMRNVWMJGQXLE-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826212445 608182264 /nfs/dbraw/zinc/18/22/64/608182264.db2.gz QTPQTBWMGNXSCS-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826212445 608182266 /nfs/dbraw/zinc/18/22/66/608182266.db2.gz QTPQTBWMGNXSCS-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM CC[C@H](CSC)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825125964 608296880 /nfs/dbraw/zinc/29/68/80/608296880.db2.gz GCTLOUUWCJRZLH-SNVBAGLBSA-N -1 3 373.442 2.901 20 5 FFBDHM CC[C@H](CSC)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825125964 608296882 /nfs/dbraw/zinc/29/68/82/608296882.db2.gz GCTLOUUWCJRZLH-SNVBAGLBSA-N -1 3 373.442 2.901 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000826421223 608817763 /nfs/dbraw/zinc/81/77/63/608817763.db2.gz XTJDFUCIBOFTJF-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000826421223 608817765 /nfs/dbraw/zinc/81/77/65/608817765.db2.gz XTJDFUCIBOFTJF-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM CC[C@H](C)Oc1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccn1 ZINC000825074937 609172943 /nfs/dbraw/zinc/17/29/43/609172943.db2.gz LKTYPOCOURFSAV-NSHDSACASA-N -1 3 369.385 2.959 20 5 FFBDHM CC[C@H](C)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccn1 ZINC000825074937 609172944 /nfs/dbraw/zinc/17/29/44/609172944.db2.gz LKTYPOCOURFSAV-NSHDSACASA-N -1 3 369.385 2.959 20 5 FFBDHM CC1CCC2(CC1)OC[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)O2 ZINC000824917056 609173099 /nfs/dbraw/zinc/17/30/99/609173099.db2.gz LOBUZFGFQAFSMS-OFKYTCTHSA-N -1 3 374.401 2.509 20 5 FFBDHM CC1CCC2(CC1)OC[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)O2 ZINC000824917056 609173100 /nfs/dbraw/zinc/17/31/00/609173100.db2.gz LOBUZFGFQAFSMS-OFKYTCTHSA-N -1 3 374.401 2.509 20 5 FFBDHM C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824670583 609437016 /nfs/dbraw/zinc/43/70/16/609437016.db2.gz RUPXGPSWLDYUSK-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824670583 609437019 /nfs/dbraw/zinc/43/70/19/609437019.db2.gz RUPXGPSWLDYUSK-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCOC1 ZINC000824650575 609564244 /nfs/dbraw/zinc/56/42/44/609564244.db2.gz RYEJWJVLNZGCRP-GHMZBOCLSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCCOC1 ZINC000824650575 609564246 /nfs/dbraw/zinc/56/42/46/609564246.db2.gz RYEJWJVLNZGCRP-GHMZBOCLSA-N -1 3 369.385 2.550 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCCCO3)cc(-c3nnn[n-]3)c2c1 ZINC000826499787 609581576 /nfs/dbraw/zinc/58/15/76/609581576.db2.gz XJOXGRZVBPRBIR-GFCCVEGCSA-N -1 3 369.385 2.694 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC[C@H]3CCCCO3)cc(-c3nn[n-]n3)c2c1 ZINC000826499787 609581577 /nfs/dbraw/zinc/58/15/77/609581577.db2.gz XJOXGRZVBPRBIR-GFCCVEGCSA-N -1 3 369.385 2.694 20 5 FFBDHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119479297 728595135 /nfs/dbraw/zinc/59/51/35/728595135.db2.gz UDCZBPJQOUPZHY-CQSZACIVSA-N -1 3 370.814 2.569 20 5 FFBDHM CC(C)(C)c1ccccc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000125589113 728685188 /nfs/dbraw/zinc/68/51/88/728685188.db2.gz IFWZSYDWHXPJTC-UHFFFAOYSA-N -1 3 350.400 2.593 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000130808662 728720776 /nfs/dbraw/zinc/72/07/76/728720776.db2.gz PYTRRLOZYRULHJ-UHFFFAOYSA-N -1 3 367.774 2.629 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000130808662 728720777 /nfs/dbraw/zinc/72/07/77/728720777.db2.gz PYTRRLOZYRULHJ-UHFFFAOYSA-N -1 3 367.774 2.629 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1nccs1 ZINC000132390847 728724419 /nfs/dbraw/zinc/72/44/19/728724419.db2.gz IMHDWGXXVVXRAV-JTQLQIEISA-N -1 3 359.404 2.928 20 5 FFBDHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000742328310 735228286 /nfs/dbraw/zinc/22/82/86/735228286.db2.gz JXNWAZLDLDHGKQ-PSASIEDQSA-N -1 3 350.849 2.811 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000763585789 736949459 /nfs/dbraw/zinc/94/94/59/736949459.db2.gz FCBIHDAXMDSNQG-UHFFFAOYSA-N -1 3 361.832 2.746 20 5 FFBDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000843315981 747810897 /nfs/dbraw/zinc/81/08/97/747810897.db2.gz FUMTXKUCYZHVRV-ZETCQYMHSA-N -1 3 371.193 2.991 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@]1(C)C[C@]1(F)Cl ZINC000845984283 748373814 /nfs/dbraw/zinc/37/38/14/748373814.db2.gz WIETUMBQWAVFCM-QWHCGFSZSA-N -1 3 350.799 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@H]12 ZINC000848510495 748946700 /nfs/dbraw/zinc/94/67/00/748946700.db2.gz TXEPIJRAFUUAEN-QWHCGFSZSA-N -1 3 373.862 2.543 20 5 FFBDHM CCc1noc(C)c1C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848589335 748967749 /nfs/dbraw/zinc/96/77/49/748967749.db2.gz BUTNLOGJMIXCMA-UHFFFAOYSA-N -1 3 355.297 2.742 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC001535493433 948546429 /nfs/dbraw/zinc/54/64/29/948546429.db2.gz VNULQGREWWZULQ-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC001535493433 948546438 /nfs/dbraw/zinc/54/64/38/948546438.db2.gz VNULQGREWWZULQ-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM Cc1ccc(CN2CC[C@@H](NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)cc1 ZINC001174833728 1013310186 /nfs/dbraw/zinc/31/01/86/1013310186.db2.gz WBLOPWMXWGLARK-MRXNPFEDSA-N -1 3 355.394 2.613 20 5 FFBDHM O=C(c1cc2c(cc1[O-])OCO2)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436591006 980258416 /nfs/dbraw/zinc/25/84/16/980258416.db2.gz OWMSGOUMNFKFHH-KRWDZBQOSA-N -1 3 374.374 2.917 20 5 FFBDHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194633658 990391322 /nfs/dbraw/zinc/39/13/22/990391322.db2.gz XGAFZROHVKTHRA-UHFFFAOYSA-N -1 3 350.334 2.934 20 5 FFBDHM COc1cccc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)n[n-]c21 ZINC000808675428 994217659 /nfs/dbraw/zinc/21/76/59/994217659.db2.gz GMLHJRGMLGVBFO-UHFFFAOYSA-N -1 3 355.306 2.519 20 5 FFBDHM COc1cccc2c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)[n-]nc21 ZINC000808675428 994217670 /nfs/dbraw/zinc/21/76/70/994217670.db2.gz GMLHJRGMLGVBFO-UHFFFAOYSA-N -1 3 355.306 2.519 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCCOc2ccccc2F)c([N+](=O)[O-])s1 ZINC001184936580 1002749818 /nfs/dbraw/zinc/74/98/18/1002749818.db2.gz DZZWEVMUCIFMBY-UHFFFAOYSA-N -1 3 374.415 2.851 20 5 FFBDHM Nc1cnc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(I)c1 ZINC001199819500 1005025408 /nfs/dbraw/zinc/02/54/08/1005025408.db2.gz UZYGKNKOYLIWLN-UHFFFAOYSA-N -1 3 372.122 2.626 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2cccc(F)c2)c([N+](=O)[O-])s1 ZINC001187759585 1006236468 /nfs/dbraw/zinc/23/64/68/1006236468.db2.gz AVSHXLFCGHVBBM-NOZJJQNGSA-N -1 3 374.415 2.504 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000856794259 1007976665 /nfs/dbraw/zinc/97/66/65/1007976665.db2.gz PKQYZMMGKVVLDZ-APPDUMDISA-N -1 3 364.402 2.579 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001136497445 1008491417 /nfs/dbraw/zinc/49/14/17/1008491417.db2.gz KFHSGZGJIPILCA-UHFFFAOYSA-N -1 3 364.365 2.835 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001136497445 1008491419 /nfs/dbraw/zinc/49/14/19/1008491419.db2.gz KFHSGZGJIPILCA-UHFFFAOYSA-N -1 3 364.365 2.835 20 5 FFBDHM Cc1cncc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)c1 ZINC001212838045 1009473155 /nfs/dbraw/zinc/47/31/55/1009473155.db2.gz HJCHINJTOVXKHM-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1cncc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)c1 ZINC001212838045 1009473162 /nfs/dbraw/zinc/47/31/62/1009473162.db2.gz HJCHINJTOVXKHM-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM COc1c([O-])ccc(CNc2ccc(C(=O)N(C)C)c(C)c2)c1[N+](=O)[O-] ZINC001180865509 1009878813 /nfs/dbraw/zinc/87/88/13/1009878813.db2.gz MKQALBPIWNGHGJ-UHFFFAOYSA-N -1 3 359.382 2.931 20 5 FFBDHM C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001217995926 1032940575 /nfs/dbraw/zinc/94/05/75/1032940575.db2.gz ZPLNITLTBOVDJL-QMTHXVAHSA-N -1 3 371.389 2.830 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000754213623 1023441045 /nfs/dbraw/zinc/44/10/45/1023441045.db2.gz DNXSQEWFUYBVIU-KHPPLWFESA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000754213623 1023441048 /nfs/dbraw/zinc/44/10/48/1023441048.db2.gz DNXSQEWFUYBVIU-KHPPLWFESA-N -1 3 350.338 2.817 20 5 FFBDHM CC(C)(C)c1ccc(-n2c3[n-]c(=O)sc3c(=O)nc2N)c([N+](=O)[O-])c1 ZINC001163047601 1028771077 /nfs/dbraw/zinc/77/10/77/1028771077.db2.gz DONAFBLNITWLLO-UHFFFAOYSA-N -1 3 361.383 2.578 20 5 FFBDHM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001157232823 1029514033 /nfs/dbraw/zinc/51/40/33/1029514033.db2.gz GCVLOVIODRNUIP-YFKPBYRVSA-N -1 3 363.683 2.876 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661100 1034354570 /nfs/dbraw/zinc/35/45/70/1034354570.db2.gz JCNBIXUNCSLADC-CMPLNLGQSA-N -1 3 371.365 2.812 20 5 FFBDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C2 ZINC001225667660 1034359255 /nfs/dbraw/zinc/35/92/55/1034359255.db2.gz VWEZUJQBEDQIMW-LLVKDONJSA-N -1 3 365.386 2.864 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c1[N+](=O)[O-] ZINC001228688290 1036260784 /nfs/dbraw/zinc/26/07/84/1036260784.db2.gz GUXPYKPTJSHQCS-IJLUTSLNSA-N -1 3 365.386 2.638 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229570644 1036751259 /nfs/dbraw/zinc/75/12/59/1036751259.db2.gz UCYRAWCCKJVASI-SSDOTTSWSA-N -1 3 351.413 2.861 20 5 FFBDHM COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1conc1C ZINC001277811816 1036786846 /nfs/dbraw/zinc/78/68/46/1036786846.db2.gz NZHGRDJPYCRUPT-UHFFFAOYSA-N -1 3 365.367 2.799 20 5 FFBDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309675166 1043478218 /nfs/dbraw/zinc/47/82/18/1043478218.db2.gz OGSCXZMPTXHTOJ-GFCCVEGCSA-N -1 3 360.407 2.526 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)c(Cl)c1 ZINC001309726872 1043499134 /nfs/dbraw/zinc/49/91/34/1043499134.db2.gz UEYHCJYXLBJNPY-UKRRQHHQSA-N -1 3 374.846 2.874 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3cccnc32)c(Cl)c1 ZINC001309917723 1043589048 /nfs/dbraw/zinc/58/90/48/1043589048.db2.gz HTIDOLOXBMVUNH-ZDUSSCGKSA-N -1 3 367.814 2.999 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001327909108 1048092214 /nfs/dbraw/zinc/09/22/14/1048092214.db2.gz VEFPORRMNITLLG-AYMMMOKOSA-N -1 3 366.773 2.879 20 5 FFBDHM COc1c([O-])ccc(CN2CCn3cnc(C(F)(F)F)c3C2)c1[N+](=O)[O-] ZINC001334317837 1049370826 /nfs/dbraw/zinc/37/08/26/1049370826.db2.gz GFCYIXWJGFCNAO-UHFFFAOYSA-N -1 3 372.303 2.540 20 5 FFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001307152614 1049393262 /nfs/dbraw/zinc/39/32/62/1049393262.db2.gz GSJAAEFSJHLKPB-RKDXNWHRSA-N -1 3 365.777 2.819 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001304133478 1051552253 /nfs/dbraw/zinc/55/22/53/1051552253.db2.gz WZAZWLDGZRVTOE-LURJTMIESA-N -1 3 361.255 2.670 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])s1 ZINC001309381690 1052609237 /nfs/dbraw/zinc/60/92/37/1052609237.db2.gz OWWYWUNABTVCOD-NWDGAFQWSA-N -1 3 362.473 2.835 20 5 FFBDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc([O-])cc(Br)c1 ZINC001543358986 1071457893 /nfs/dbraw/zinc/45/78/93/1071457893.db2.gz REEVYGKVSKQUBY-UHFFFAOYSA-N -1 3 351.156 2.993 20 5 FFBDHM COc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc([N+](=O)[O-])c1C ZINC001454315647 1059501460 /nfs/dbraw/zinc/50/14/60/1059501460.db2.gz VEDUWODXPLIVIC-UHFFFAOYSA-N -1 3 372.381 2.605 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001458634563 1060638885 /nfs/dbraw/zinc/63/88/85/1060638885.db2.gz FAXNYNITXUQQOQ-ZETCQYMHSA-N -1 3 373.291 3.000 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3ncccc23)c(F)c1 ZINC001475657422 1061184524 /nfs/dbraw/zinc/18/45/24/1061184524.db2.gz PIHMGQBVTSCAPE-UHFFFAOYSA-N -1 3 361.354 2.761 20 5 FFBDHM COC(=O)Cc1ccc(N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC001472887550 1065168162 /nfs/dbraw/zinc/16/81/62/1065168162.db2.gz DIFDLLFHXDAMFR-SSDOTTSWSA-N -1 3 373.291 2.620 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c([N+](=O)[O-])s1 ZINC001474967365 1065658709 /nfs/dbraw/zinc/65/87/09/1065658709.db2.gz LOCZDKKUKSDAIT-GFCCVEGCSA-N -1 3 352.437 2.973 20 5 FFBDHM CCC1(CC)[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H]1OC ZINC001577109844 1078304614 /nfs/dbraw/zinc/30/46/14/1078304614.db2.gz DPWXRQJMIYGGKM-CABCVRRESA-N -1 3 360.418 2.805 20 5 FFBDHM CCC1(CC)[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H]1OC ZINC001577109844 1078304617 /nfs/dbraw/zinc/30/46/17/1078304617.db2.gz DPWXRQJMIYGGKM-CABCVRRESA-N -1 3 360.418 2.805 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001580309685 1078784773 /nfs/dbraw/zinc/78/47/73/1078784773.db2.gz SOPVIBVLCBNLND-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001580309685 1078784776 /nfs/dbraw/zinc/78/47/76/1078784776.db2.gz SOPVIBVLCBNLND-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001582636177 1079079801 /nfs/dbraw/zinc/07/98/01/1079079801.db2.gz UTTPYNWYNQCPFZ-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001582636177 1079079807 /nfs/dbraw/zinc/07/98/07/1079079807.db2.gz UTTPYNWYNQCPFZ-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3CCc4ccccc4C3)cc(-c3nnn[n-]3)c2c1 ZINC001582804015 1079109855 /nfs/dbraw/zinc/10/98/55/1079109855.db2.gz FPIOFKWPERETRJ-UHFFFAOYSA-N -1 3 373.376 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3CCc4ccccc4C3)cc(-c3nn[n-]n3)c2c1 ZINC001582804015 1079109858 /nfs/dbraw/zinc/10/98/58/1079109858.db2.gz FPIOFKWPERETRJ-UHFFFAOYSA-N -1 3 373.376 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc(CNCc2ccc(-c3nnn[n-]3)c(F)c2)cc1Cl ZINC001582804294 1079109876 /nfs/dbraw/zinc/10/98/76/1079109876.db2.gz QHPWRLWUWZCKRR-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM Cc1c(CC(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cccc1[N+](=O)[O-] ZINC001557751278 1075883234 /nfs/dbraw/zinc/88/32/34/1075883234.db2.gz LJXBPPQJSYGOQP-UHFFFAOYSA-N -1 3 356.382 2.525 20 5 FFBDHM CC(C)(NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC001573919798 1077847542 /nfs/dbraw/zinc/84/75/42/1077847542.db2.gz JJSBBOOCFNFDHO-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM C[C@H](C(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589020052 1080309159 /nfs/dbraw/zinc/30/91/59/1080309159.db2.gz BPYHQOOOSZPLHY-QMMMGPOBSA-N -1 3 373.760 2.566 20 5 FFBDHM C[C@H](C(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589020052 1080309164 /nfs/dbraw/zinc/30/91/64/1080309164.db2.gz BPYHQOOOSZPLHY-QMMMGPOBSA-N -1 3 373.760 2.566 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589156378 1080389953 /nfs/dbraw/zinc/38/99/53/1080389953.db2.gz UODDZRIEVBVLKG-UHFFFAOYSA-N -1 3 351.388 2.599 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589156378 1080389963 /nfs/dbraw/zinc/38/99/63/1080389963.db2.gz UODDZRIEVBVLKG-UHFFFAOYSA-N -1 3 351.388 2.599 20 5 FFBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589801051 1080755194 /nfs/dbraw/zinc/75/51/94/1080755194.db2.gz GYQYLNKOUVNPEQ-BXKDBHETSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](C[C@@H](O)c1cccs1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589801051 1080755202 /nfs/dbraw/zinc/75/52/02/1080755202.db2.gz GYQYLNKOUVNPEQ-BXKDBHETSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589937668 1080881885 /nfs/dbraw/zinc/88/18/85/1080881885.db2.gz VEDBDPDAFOTUFP-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589937668 1080881894 /nfs/dbraw/zinc/88/18/94/1080881894.db2.gz VEDBDPDAFOTUFP-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC2(CCC2)C1 ZINC001590135717 1081041612 /nfs/dbraw/zinc/04/16/12/1081041612.db2.gz NGEDBGMXGIXBAW-INIZCTEOSA-N -1 3 358.402 2.926 20 5 FFBDHM C[C@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC2(CCC2)C1 ZINC001590135717 1081041619 /nfs/dbraw/zinc/04/16/19/1081041619.db2.gz NGEDBGMXGIXBAW-INIZCTEOSA-N -1 3 358.402 2.926 20 5 FFBDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000010293161 249315331 /nfs/dbraw/zinc/31/53/31/249315331.db2.gz PYLXKXZFXPYLCB-UHFFFAOYSA-N -1 3 369.377 2.791 20 5 FFBDHM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272420187 252035149 /nfs/dbraw/zinc/03/51/49/252035149.db2.gz QFPTWNGFSIBGCY-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C ZINC000272424155 252035207 /nfs/dbraw/zinc/03/52/07/252035207.db2.gz XUFFYHQBPUQXPO-NWDGAFQWSA-N -1 3 369.368 2.592 20 5 FFBDHM CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000288125783 257150209 /nfs/dbraw/zinc/15/02/09/257150209.db2.gz MAIKAGTWWZRJBI-UHFFFAOYSA-N -1 3 373.413 2.680 20 5 FFBDHM CC(C)(C)n1cnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000291297942 257396492 /nfs/dbraw/zinc/39/64/92/257396492.db2.gz RWCWRLJSBZQYPA-UHFFFAOYSA-N -1 3 355.301 2.795 20 5 FFBDHM Nc1nc([N-][C@H](C(=O)Nc2ccccc2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000301167319 258030940 /nfs/dbraw/zinc/03/09/40/258030940.db2.gz RXQCFDGITGAEKP-HNNXBMFYSA-N -1 3 364.365 2.759 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCc1ccccc1 ZINC000032401812 506247987 /nfs/dbraw/zinc/24/79/87/506247987.db2.gz UXOLJGYXTIPMBK-CYBMUJFWSA-N -1 3 364.423 2.903 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000052781813 506249517 /nfs/dbraw/zinc/24/95/17/506249517.db2.gz RLEJMLXHIKFLKV-OAHLLOKOSA-N -1 3 362.407 2.959 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000032435979 506253994 /nfs/dbraw/zinc/25/39/94/506253994.db2.gz AWWYGNQWCQUNTN-UHFFFAOYSA-N -1 3 362.407 2.961 20 5 FFBDHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000867 506409059 /nfs/dbraw/zinc/40/90/59/506409059.db2.gz OXXIUVCPGOREAE-QMMMGPOBSA-N -1 3 360.388 2.844 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c(F)c1 ZINC000056105400 506935250 /nfs/dbraw/zinc/93/52/50/506935250.db2.gz HKQKDDJDNZDSTG-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000015331746 507033361 /nfs/dbraw/zinc/03/33/61/507033361.db2.gz WKENXDAFPJGHKQ-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM O=C(Nc1ccccc1N1CCCC1=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046321326 507115370 /nfs/dbraw/zinc/11/53/70/507115370.db2.gz NNFINOXCSRGBQX-UHFFFAOYSA-N -1 3 365.349 2.850 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2F ZINC000057020640 507151639 /nfs/dbraw/zinc/15/16/39/507151639.db2.gz GHEBATSZUJUHDN-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(C)ccc21 ZINC000057019816 507151763 /nfs/dbraw/zinc/15/17/63/507151763.db2.gz PXRRTEQFABNKQT-OAHLLOKOSA-N -1 3 362.407 2.878 20 5 FFBDHM COCc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060499384 507554431 /nfs/dbraw/zinc/55/44/31/507554431.db2.gz MAFGVGKISQSHBM-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM COCc1cccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060500094 507554474 /nfs/dbraw/zinc/55/44/74/507554474.db2.gz MTTYLLOOAZUYPB-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM CCCCNS(=O)(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000027383200 507653885 /nfs/dbraw/zinc/65/38/85/507653885.db2.gz AHGNGFUUXMTQNW-UHFFFAOYSA-N -1 3 367.383 2.519 20 5 FFBDHM COc1ccc(C(=O)N2CCCC2)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000062906585 507686365 /nfs/dbraw/zinc/68/63/65/507686365.db2.gz DIHVIIZYCJAQHM-UHFFFAOYSA-N -1 3 359.338 2.685 20 5 FFBDHM COC(=O)c1ccc(N2CCCC2)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000073474926 507923205 /nfs/dbraw/zinc/92/32/05/507923205.db2.gz BORSGWCAIJKUFX-UHFFFAOYSA-N -1 3 359.338 2.827 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)c1C ZINC000092264536 508055858 /nfs/dbraw/zinc/05/58/58/508055858.db2.gz VDHARZFGUNOASJ-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000111363506 508094193 /nfs/dbraw/zinc/09/41/93/508094193.db2.gz YZAVBJRZNUEWSF-VIFPVBQESA-N -1 3 371.440 2.662 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000093313054 508137977 /nfs/dbraw/zinc/13/79/77/508137977.db2.gz MKISQADRXFNJSS-UHFFFAOYSA-N -1 3 361.354 2.893 20 5 FFBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000083981997 508261967 /nfs/dbraw/zinc/26/19/67/508261967.db2.gz BWMHHZNOWYJNQE-UHFFFAOYSA-N -1 3 359.791 2.640 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)cc1 ZINC000102660352 508281002 /nfs/dbraw/zinc/28/10/02/508281002.db2.gz NCZJBMUYXJQZBN-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1F ZINC000106233510 508398380 /nfs/dbraw/zinc/39/83/80/508398380.db2.gz XBGITYLTEBYXMC-UHFFFAOYSA-N -1 3 368.386 2.920 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c1C ZINC000127703652 508488103 /nfs/dbraw/zinc/48/81/03/508488103.db2.gz NFMMKWZLAHWTQL-HOCLYGCPSA-N -1 3 370.471 2.821 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000127860485 508511704 /nfs/dbraw/zinc/51/17/04/508511704.db2.gz GXKUPGPEXWABBE-HIFRSBDPSA-N -1 3 356.444 2.513 20 5 FFBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000154026746 508701302 /nfs/dbraw/zinc/70/13/02/508701302.db2.gz OCHQFLVHTAPHBA-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000123928226 508759291 /nfs/dbraw/zinc/75/92/91/508759291.db2.gz NQJDYCPYAWHCJQ-XHDPSFHLSA-N -1 3 368.386 2.524 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000119291788 508766420 /nfs/dbraw/zinc/76/64/20/508766420.db2.gz SAULEHCYZCLJGD-CYBMUJFWSA-N -1 3 353.400 2.938 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000119296523 508767120 /nfs/dbraw/zinc/76/71/20/508767120.db2.gz SZIMNZVZMKXWDT-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000123998434 508769491 /nfs/dbraw/zinc/76/94/91/508769491.db2.gz GWPMLQOVYYQOLS-SNVBAGLBSA-N -1 3 356.425 2.711 20 5 FFBDHM Cc1cnc([C@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000154790392 508856681 /nfs/dbraw/zinc/85/66/81/508856681.db2.gz LEWSRHFZKMRDPZ-CQSZACIVSA-N -1 3 367.452 2.930 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000124913971 508904510 /nfs/dbraw/zinc/90/45/10/508904510.db2.gz MOFYYTQAXOGRIN-GFCCVEGCSA-N -1 3 350.462 2.694 20 5 FFBDHM CCc1cnc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000121050612 509118364 /nfs/dbraw/zinc/11/83/64/509118364.db2.gz JSTHOXGPTNYUEY-UHFFFAOYSA-N -1 3 369.468 2.752 20 5 FFBDHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000126766263 509124942 /nfs/dbraw/zinc/12/49/42/509124942.db2.gz DIGZCYGNVNKZES-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000182483401 509261634 /nfs/dbraw/zinc/26/16/34/509261634.db2.gz ODTSZSPQZFSUIQ-JTQLQIEISA-N -1 3 364.851 2.632 20 5 FFBDHM CCCCOCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163060498 509335670 /nfs/dbraw/zinc/33/56/70/509335670.db2.gz RHNCOWXYUUVZEU-UHFFFAOYSA-N -1 3 370.349 2.709 20 5 FFBDHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000183038401 509561663 /nfs/dbraw/zinc/56/16/63/509561663.db2.gz UYXDXNJOOTUFTL-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000173382693 509564994 /nfs/dbraw/zinc/56/49/94/509564994.db2.gz PSCWHSGANCZNNJ-UONOGXRCSA-N -1 3 354.428 2.529 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000173449345 509606039 /nfs/dbraw/zinc/60/60/39/509606039.db2.gz XWQKJIZXRJDCGG-NSHDSACASA-N -1 3 370.452 2.822 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000173826102 509801270 /nfs/dbraw/zinc/80/12/70/509801270.db2.gz ZLUHMXDJMIRRNI-CYBMUJFWSA-N -1 3 372.406 2.820 20 5 FFBDHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cnn1C ZINC000183475309 509812673 /nfs/dbraw/zinc/81/26/73/509812673.db2.gz GFSGOANNJSIMBD-SECBINFHSA-N -1 3 372.834 2.638 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000173974140 509881943 /nfs/dbraw/zinc/88/19/43/509881943.db2.gz OPHQCBUCCTZDFX-UHFFFAOYSA-N -1 3 363.395 2.835 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000173985438 509889628 /nfs/dbraw/zinc/88/96/28/509889628.db2.gz LFOKWNVADHJYHV-AWEZNQCLSA-N -1 3 370.814 2.914 20 5 FFBDHM O=C(c1ccc([O-])cc1)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255162252 509920644 /nfs/dbraw/zinc/92/06/44/509920644.db2.gz YNRNGEQUSYQISZ-HYXAFXHYSA-N -1 3 367.405 2.772 20 5 FFBDHM Cc1cc(C)n(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2F)n1 ZINC000186977520 509984500 /nfs/dbraw/zinc/98/45/00/509984500.db2.gz VWANJPMNIJQRAH-UHFFFAOYSA-N -1 3 371.328 2.889 20 5 FFBDHM O=c1[n-]nc(SCc2ccc([N+](=O)[O-])cc2Cl)n1C[C@H]1CCCO1 ZINC000180923308 510184698 /nfs/dbraw/zinc/18/46/98/510184698.db2.gz RREZYMZYIQVXON-LLVKDONJSA-N -1 3 370.818 2.604 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000265738560 510202561 /nfs/dbraw/zinc/20/25/61/510202561.db2.gz UXXMSPYMODKTJG-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000187460436 510278909 /nfs/dbraw/zinc/27/89/09/510278909.db2.gz SEWAMWZQUDCFEG-SFHVURJKSA-N -1 3 369.421 2.941 20 5 FFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(cc(F)cc3OC)s2)c1[N+](=O)[O-] ZINC000171809653 510383952 /nfs/dbraw/zinc/38/39/52/510383952.db2.gz DPDMNIZWFSKEEN-UHFFFAOYSA-N -1 3 365.346 2.890 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246371375 510452306 /nfs/dbraw/zinc/45/23/06/510452306.db2.gz ZINQJGSEWMLOSH-BMGDILEWSA-N -1 3 374.418 2.610 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c([O-])c1 ZINC000184781453 510513224 /nfs/dbraw/zinc/51/32/24/510513224.db2.gz YYRGRVKAQYDVHA-UHFFFAOYSA-N -1 3 357.366 2.676 20 5 FFBDHM CCc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([O-])c1 ZINC000191699174 510791422 /nfs/dbraw/zinc/79/14/22/510791422.db2.gz SEEPBYSIMAYISM-ZDUSSCGKSA-N -1 3 356.382 2.584 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccccn2)c(Cl)c1 ZINC000178912858 510832616 /nfs/dbraw/zinc/83/26/16/510832616.db2.gz IVBLAQAMRLCNDD-UHFFFAOYSA-N -1 3 355.803 2.554 20 5 FFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000294007861 510927744 /nfs/dbraw/zinc/92/77/44/510927744.db2.gz DJKXYNVRYUROSE-CYBMUJFWSA-N -1 3 354.366 2.715 20 5 FFBDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000285502270 510933148 /nfs/dbraw/zinc/93/31/48/510933148.db2.gz QFPTZRRMRIREKX-UHFFFAOYSA-N -1 3 353.400 2.722 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1CCCCC1 ZINC000326874750 511865222 /nfs/dbraw/zinc/86/52/22/511865222.db2.gz YOBHJMUABGGWIY-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM COc1cc(CNc2nnc(CC(F)(F)F)s2)c([N+](=O)[O-])cc1[O-] ZINC000274684727 511910044 /nfs/dbraw/zinc/91/00/44/511910044.db2.gz YBOXLBVUGSSKLB-UHFFFAOYSA-N -1 3 364.305 2.877 20 5 FFBDHM O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275080884 512034856 /nfs/dbraw/zinc/03/48/56/512034856.db2.gz DQASXYXOQBLTLM-HZPDHXFCSA-N -1 3 373.365 2.630 20 5 FFBDHM CCN(c1ccnc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])n1)C1CCCC1 ZINC000411103075 512469815 /nfs/dbraw/zinc/46/98/15/512469815.db2.gz FINLXKHWNWRPNI-UHFFFAOYSA-N -1 3 373.417 2.622 20 5 FFBDHM C[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000397929279 512950730 /nfs/dbraw/zinc/95/07/30/512950730.db2.gz AWKCQGUNCXCTTE-IUODEOHRSA-N -1 3 356.382 2.763 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)c1[N+](=O)[O-] ZINC000416527675 513817692 /nfs/dbraw/zinc/81/76/92/513817692.db2.gz MGEQGBZDQZGKQL-NSHDSACASA-N -1 3 353.375 2.785 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)c(Cl)c1 ZINC000451605213 513862717 /nfs/dbraw/zinc/86/27/17/513862717.db2.gz CXAUOAMLEHXAPJ-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000416606271 513864566 /nfs/dbraw/zinc/86/45/66/513864566.db2.gz WYLCHDCYCCLTAN-LKFCYVNXSA-N -1 3 362.835 2.730 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CC12CC2 ZINC000416651795 513889438 /nfs/dbraw/zinc/88/94/38/513889438.db2.gz RJNSGCWOJQPXLI-VIFPVBQESA-N -1 3 350.318 2.692 20 5 FFBDHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443237844 513909692 /nfs/dbraw/zinc/90/96/92/513909692.db2.gz DPJCGOLHPPKQIK-AWEZNQCLSA-N -1 3 364.851 2.714 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C(C)(C)C ZINC000451781509 513976992 /nfs/dbraw/zinc/97/69/92/513976992.db2.gz PJLIQOOAYQBPQM-AWEZNQCLSA-N -1 3 372.443 2.875 20 5 FFBDHM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000451962978 514098513 /nfs/dbraw/zinc/09/85/13/514098513.db2.gz XWOHKBBLEZKZHH-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000444057539 514110921 /nfs/dbraw/zinc/11/09/21/514110921.db2.gz HFSXSVWKAPDWRB-UHFFFAOYSA-N -1 3 362.335 2.938 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CCOCC3)CC2)c(F)c1 ZINC000437287576 514132471 /nfs/dbraw/zinc/13/24/71/514132471.db2.gz PYKZMMFUEHSHKY-UHFFFAOYSA-N -1 3 372.418 2.752 20 5 FFBDHM COc1ccccc1-c1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000427831378 514327561 /nfs/dbraw/zinc/32/75/61/514327561.db2.gz QFMZUAHJVMWTAY-UHFFFAOYSA-N -1 3 369.337 2.649 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000439190344 514505901 /nfs/dbraw/zinc/50/59/01/514505901.db2.gz RFKUDLFYVRNODC-SNVBAGLBSA-N -1 3 355.803 2.991 20 5 FFBDHM O=C(Nc1cccc(OCc2cccnc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484252296 514603864 /nfs/dbraw/zinc/60/38/64/514603864.db2.gz YAKKWYYBKASMCM-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccccc2F)cc1C ZINC000497737788 514616371 /nfs/dbraw/zinc/61/63/71/514616371.db2.gz LYFVZKXFORBSEM-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000467067253 514885366 /nfs/dbraw/zinc/88/53/66/514885366.db2.gz ZRXXOAMHNKCKPC-CMPLNLGQSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000467084789 514893496 /nfs/dbraw/zinc/89/34/96/514893496.db2.gz ZRQBATZPPBPIAA-UHFFFAOYSA-N -1 3 358.416 2.933 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000467401760 514994669 /nfs/dbraw/zinc/99/46/69/514994669.db2.gz OZEGIVSUQHJTHV-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000467417454 515000179 /nfs/dbraw/zinc/00/01/79/515000179.db2.gz JZFDDXYVDKVNGD-LLVKDONJSA-N -1 3 372.399 2.906 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000467415496 515001030 /nfs/dbraw/zinc/00/10/30/515001030.db2.gz BZBGBCJCHBZPFI-VIFPVBQESA-N -1 3 374.415 2.850 20 5 FFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000485364929 515010221 /nfs/dbraw/zinc/01/02/21/515010221.db2.gz ARNXKCOYECFYSU-CYBMUJFWSA-N -1 3 373.365 2.814 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)c([N+](=O)[O-])c1 ZINC000480742162 515066784 /nfs/dbraw/zinc/06/67/84/515066784.db2.gz BNKJQXIMVNSMST-UHFFFAOYSA-N -1 3 357.391 2.930 20 5 FFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)cc2nn[n-]c21 ZINC000503525057 515068248 /nfs/dbraw/zinc/06/82/48/515068248.db2.gz YLAAQLFXRGRNEU-UHFFFAOYSA-N -1 3 363.736 2.631 20 5 FFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)cc2[n-]nnc21 ZINC000503525057 515068258 /nfs/dbraw/zinc/06/82/58/515068258.db2.gz YLAAQLFXRGRNEU-UHFFFAOYSA-N -1 3 363.736 2.631 20 5 FFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)cc2n[n-]nc21 ZINC000503525057 515068270 /nfs/dbraw/zinc/06/82/70/515068270.db2.gz YLAAQLFXRGRNEU-UHFFFAOYSA-N -1 3 363.736 2.631 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H]1C1CCCCC1 ZINC000462507605 515093938 /nfs/dbraw/zinc/09/39/38/515093938.db2.gz ZRQWZZIRAPJWOX-KBPBESRZSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000480854574 515110797 /nfs/dbraw/zinc/11/07/97/515110797.db2.gz SWLNJSMWRNRMGI-CQSZACIVSA-N -1 3 362.473 2.574 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)C ZINC000467795365 515123082 /nfs/dbraw/zinc/12/30/82/515123082.db2.gz BQUQWBGVSFYDLU-HNNXBMFYSA-N -1 3 358.460 2.941 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000462698032 515195483 /nfs/dbraw/zinc/19/54/83/515195483.db2.gz JPSWFASGRMHNQB-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000462704464 515200706 /nfs/dbraw/zinc/20/07/06/515200706.db2.gz MQRUTKQYPDLWEX-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000481254541 515264370 /nfs/dbraw/zinc/26/43/70/515264370.db2.gz GYHFBBHGBVVUDA-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000481269911 515271902 /nfs/dbraw/zinc/27/19/02/515271902.db2.gz SQWPCUBSGBGGBR-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000481336101 515296416 /nfs/dbraw/zinc/29/64/16/515296416.db2.gz GGKGUTRYPAGJIA-YPMHNXCESA-N -1 3 360.457 2.556 20 5 FFBDHM COc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1[N+](=O)[O-] ZINC000486055528 515314863 /nfs/dbraw/zinc/31/48/63/515314863.db2.gz ZTQRWTBKEHRNIZ-RQOWECAXSA-N -1 3 350.334 2.919 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000490937947 515337558 /nfs/dbraw/zinc/33/75/58/515337558.db2.gz CMFMDNIJHSYOBZ-UHFFFAOYSA-N -1 3 354.313 2.529 20 5 FFBDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000491512987 515446616 /nfs/dbraw/zinc/44/66/16/515446616.db2.gz QIOZGNJWVWLJLM-GHMZBOCLSA-N -1 3 360.407 2.990 20 5 FFBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000486636776 515573289 /nfs/dbraw/zinc/57/32/89/515573289.db2.gz GLGCGYYKHHWCEA-ONGXEEELSA-N -1 3 367.431 2.574 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000511386321 515885415 /nfs/dbraw/zinc/88/54/15/515885415.db2.gz ULEIBGBQGJXBIE-UHFFFAOYSA-N -1 3 367.452 2.760 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000483156261 515957047 /nfs/dbraw/zinc/95/70/47/515957047.db2.gz XZDLDHXVIKFKGR-MRVPVSSYSA-N -1 3 372.307 2.601 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000483156261 515957054 /nfs/dbraw/zinc/95/70/54/515957054.db2.gz XZDLDHXVIKFKGR-MRVPVSSYSA-N -1 3 372.307 2.601 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000483156261 515957064 /nfs/dbraw/zinc/95/70/64/515957064.db2.gz XZDLDHXVIKFKGR-MRVPVSSYSA-N -1 3 372.307 2.601 20 5 FFBDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507299785 516164744 /nfs/dbraw/zinc/16/47/44/516164744.db2.gz CPRIAQAMVYEQOH-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM COCc1cccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000507456475 516216616 /nfs/dbraw/zinc/21/66/16/516216616.db2.gz QQYSJDIEFWRPDE-UHFFFAOYSA-N -1 3 350.396 2.528 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507466162 516218093 /nfs/dbraw/zinc/21/80/93/516218093.db2.gz BKTDYYZWWBAXAH-HIFRSBDPSA-N -1 3 356.444 2.777 20 5 FFBDHM COc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc([N+](=O)[O-])c1C ZINC000483837672 516223489 /nfs/dbraw/zinc/22/34/89/516223489.db2.gz WXDTYHALJPUISQ-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000512360865 516251513 /nfs/dbraw/zinc/25/15/13/516251513.db2.gz FCUCOKOEZKVZOT-UHFFFAOYSA-N -1 3 368.396 2.597 20 5 FFBDHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000517559791 516363464 /nfs/dbraw/zinc/36/34/64/516363464.db2.gz PFFJTPUMSAOSMI-UHFFFAOYSA-N -1 3 356.306 2.529 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3ccc4c(c3)OCO4)cs2)c1[N+](=O)[O-] ZINC000523684064 516545518 /nfs/dbraw/zinc/54/55/18/516545518.db2.gz FNZDIBFKKOIURV-UHFFFAOYSA-N -1 3 373.350 2.731 20 5 FFBDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000524021332 516628367 /nfs/dbraw/zinc/62/83/67/516628367.db2.gz VGVDMXDADOLJCG-IAQYHMDHSA-N -1 3 374.434 2.854 20 5 FFBDHM COc1cc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000555431976 516927469 /nfs/dbraw/zinc/92/74/69/516927469.db2.gz ICZNEGAZKPUVDP-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM CCCCN(C)S(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000556349618 517384314 /nfs/dbraw/zinc/38/43/14/517384314.db2.gz KHUNNHMWDNKHPT-UHFFFAOYSA-N -1 3 366.237 2.746 20 5 FFBDHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000559890957 517475102 /nfs/dbraw/zinc/47/51/02/517475102.db2.gz LIQJTVTWYLOFPG-JTQLQIEISA-N -1 3 362.773 2.675 20 5 FFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)CO2 ZINC000542748152 517716324 /nfs/dbraw/zinc/71/63/24/517716324.db2.gz BESOYTWORGSUHR-AWEZNQCLSA-N -1 3 362.407 2.932 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1 ZINC000546942712 517931073 /nfs/dbraw/zinc/93/10/73/517931073.db2.gz BHYVNFAAYPTBKQ-UHFFFAOYSA-N -1 3 374.378 2.607 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)c1 ZINC000522306166 518073947 /nfs/dbraw/zinc/07/39/47/518073947.db2.gz NOSHUFRCCSUSHY-UHFFFAOYSA-N -1 3 364.423 2.877 20 5 FFBDHM COC(=O)c1nsc([N-]C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000572668861 518303561 /nfs/dbraw/zinc/30/35/61/518303561.db2.gz FDCAEUITAQDYEG-UHFFFAOYSA-N -1 3 364.383 2.783 20 5 FFBDHM COc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc([N+](=O)[O-])c1OC ZINC000582038065 518555870 /nfs/dbraw/zinc/55/58/70/518555870.db2.gz LWIWWODYHUTMER-UHFFFAOYSA-N -1 3 368.309 2.600 20 5 FFBDHM C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565024951 518747319 /nfs/dbraw/zinc/74/73/19/518747319.db2.gz OFQWBXKYHZYTKY-MFKMUULPSA-N -1 3 353.806 2.653 20 5 FFBDHM CCc1ccc([C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000567980643 518811740 /nfs/dbraw/zinc/81/17/40/518811740.db2.gz IFGRXUORUJAWDD-OAHLLOKOSA-N -1 3 358.398 2.965 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000571329869 519041695 /nfs/dbraw/zinc/04/16/95/519041695.db2.gz FDJSEVPNDQEZBM-AWEZNQCLSA-N -1 3 356.382 2.683 20 5 FFBDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574464388 519167381 /nfs/dbraw/zinc/16/73/81/519167381.db2.gz HUHIFQFQBZZYIR-CQSZACIVSA-N -1 3 368.393 2.988 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590588964 519278052 /nfs/dbraw/zinc/27/80/52/519278052.db2.gz FGUBSGZRXRWLLU-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000594489793 519999077 /nfs/dbraw/zinc/99/90/77/519999077.db2.gz YYHDFQHANMQRPJ-CQSZACIVSA-N -1 3 368.455 2.982 20 5 FFBDHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594802589 520165637 /nfs/dbraw/zinc/16/56/37/520165637.db2.gz YDRVQSGXPZZXGS-LLVKDONJSA-N -1 3 362.835 2.732 20 5 FFBDHM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592111204 520190359 /nfs/dbraw/zinc/19/03/59/520190359.db2.gz JAFJBDFFGRULBY-VXNVDRBHSA-N -1 3 370.374 2.786 20 5 FFBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2)n1 ZINC000603705417 520346262 /nfs/dbraw/zinc/34/62/62/520346262.db2.gz AFEXNGAISWNTCV-UHFFFAOYSA-N -1 3 367.365 2.911 20 5 FFBDHM O=C(Nc1cccc(OCc2cccnc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603928315 520406974 /nfs/dbraw/zinc/40/69/74/520406974.db2.gz NPTOMIWGGYGPQL-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(F)F ZINC000595350812 520421439 /nfs/dbraw/zinc/42/14/39/520421439.db2.gz KWJCFRIFSLASPD-SNVBAGLBSA-N -1 3 354.762 2.818 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c(Cl)c1 ZINC000609768015 520426310 /nfs/dbraw/zinc/42/63/10/520426310.db2.gz YCGVTTVZPWFEEE-UHFFFAOYSA-N -1 3 366.826 2.942 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C1CCC(F)CC1 ZINC000595359982 520428773 /nfs/dbraw/zinc/42/87/73/520428773.db2.gz VUEGUZVFRICTLA-VOMCLLRMSA-N -1 3 360.407 2.799 20 5 FFBDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000598195817 520486141 /nfs/dbraw/zinc/48/61/41/520486141.db2.gz TZVUBEBSPIMWHD-KRWDZBQOSA-N -1 3 369.421 2.689 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1([C@H]2CCCCO2)CCC1 ZINC000601517475 520822383 /nfs/dbraw/zinc/82/23/83/520822383.db2.gz LEOVYHHAKSWXLY-OAHLLOKOSA-N -1 3 354.428 2.613 20 5 FFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000593274733 520872757 /nfs/dbraw/zinc/87/27/57/520872757.db2.gz ALUQCWQZZHQGAV-UHFFFAOYSA-N -1 3 362.269 2.502 20 5 FFBDHM COc1cc(OC)cc(OCCCN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596155883 520942434 /nfs/dbraw/zinc/94/24/34/520942434.db2.gz KEYPNHVNPRBUSP-UHFFFAOYSA-N -1 3 363.370 2.618 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(F)c3)C2)nc1 ZINC000593592586 521095482 /nfs/dbraw/zinc/09/54/82/521095482.db2.gz WBTVDBVEVRDGJG-TZMCWYRMSA-N -1 3 365.386 2.744 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)c(F)c1 ZINC000599413331 521206207 /nfs/dbraw/zinc/20/62/07/521206207.db2.gz WJMUYAZJNOYZFK-MRXNPFEDSA-N -1 3 365.386 2.949 20 5 FFBDHM O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535856 521207700 /nfs/dbraw/zinc/20/77/00/521207700.db2.gz MIZHPLZVFMYCGH-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599765938 521456357 /nfs/dbraw/zinc/45/63/57/521456357.db2.gz MLYWZZSGLPGCOE-UHFFFAOYSA-N -1 3 366.175 2.995 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000619449380 521574121 /nfs/dbraw/zinc/57/41/21/521574121.db2.gz FCXCHFLXISOGGS-UHFFFAOYSA-N -1 3 352.734 2.709 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c[n-]1 ZINC000619449380 521574124 /nfs/dbraw/zinc/57/41/24/521574124.db2.gz FCXCHFLXISOGGS-UHFFFAOYSA-N -1 3 352.734 2.709 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2F ZINC000619478399 521589243 /nfs/dbraw/zinc/58/92/43/521589243.db2.gz IJBRTQAEEIUBEA-CYBMUJFWSA-N -1 3 366.370 2.708 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000619498982 521598038 /nfs/dbraw/zinc/59/80/38/521598038.db2.gz XALFYGGKOJJHSJ-SECBINFHSA-N -1 3 370.349 2.859 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738055199 598834894 /nfs/dbraw/zinc/83/48/94/598834894.db2.gz UNYWGVVPEOJNKH-UHFFFAOYSA-N -1 3 366.381 2.528 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738055199 598834896 /nfs/dbraw/zinc/83/48/96/598834896.db2.gz UNYWGVVPEOJNKH-UHFFFAOYSA-N -1 3 366.381 2.528 20 5 FFBDHM C[C@H]1C[C@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736232460 599060279 /nfs/dbraw/zinc/06/02/79/599060279.db2.gz DLDWWEOYEDYHMC-AAEUAGOBSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1C[C@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736232460 599060282 /nfs/dbraw/zinc/06/02/82/599060282.db2.gz DLDWWEOYEDYHMC-AAEUAGOBSA-N -1 3 351.370 2.552 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H]2OCCc3sccc32)c(-c2nnn[n-]2)c1 ZINC000823640051 599076510 /nfs/dbraw/zinc/07/65/10/599076510.db2.gz QKAIHHYTKZESLE-CYBMUJFWSA-N -1 3 358.383 2.562 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H]2OCCc3sccc32)c(-c2nn[n-]n2)c1 ZINC000823640051 599076513 /nfs/dbraw/zinc/07/65/13/599076513.db2.gz QKAIHHYTKZESLE-CYBMUJFWSA-N -1 3 358.383 2.562 20 5 FFBDHM CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000821362341 599100777 /nfs/dbraw/zinc/10/07/77/599100777.db2.gz ZWOUPPYNTBPWIM-LSDHHAIUSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000821362341 599100780 /nfs/dbraw/zinc/10/07/80/599100780.db2.gz ZWOUPPYNTBPWIM-LSDHHAIUSA-N -1 3 358.402 2.925 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCc2ccccc2N1 ZINC000738358102 598243934 /nfs/dbraw/zinc/24/39/34/598243934.db2.gz KZKNLSNCZRSSET-CYBMUJFWSA-N -1 3 351.370 2.614 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCc2ccccc2N1 ZINC000738358102 598243935 /nfs/dbraw/zinc/24/39/35/598243935.db2.gz KZKNLSNCZRSSET-CYBMUJFWSA-N -1 3 351.370 2.614 20 5 FFBDHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736792410 598246312 /nfs/dbraw/zinc/24/63/12/598246312.db2.gz RFIFQWXJRQOIFT-KRWDZBQOSA-N -1 3 366.381 2.525 20 5 FFBDHM CN(C[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736792410 598246313 /nfs/dbraw/zinc/24/63/13/598246313.db2.gz RFIFQWXJRQOIFT-KRWDZBQOSA-N -1 3 366.381 2.525 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000738375377 598499970 /nfs/dbraw/zinc/49/99/70/598499970.db2.gz ZRYSYRVNVUUEDT-UHFFFAOYSA-N -1 3 370.348 2.653 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000738375377 598499972 /nfs/dbraw/zinc/49/99/72/598499972.db2.gz ZRYSYRVNVUUEDT-UHFFFAOYSA-N -1 3 370.348 2.653 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737798181 598779773 /nfs/dbraw/zinc/77/97/73/598779773.db2.gz GRFOSDBJANWCNQ-CMDGGOBGSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1c(F)cccc1[N+](=O)[O-] ZINC000737798181 598779774 /nfs/dbraw/zinc/77/97/74/598779774.db2.gz GRFOSDBJANWCNQ-CMDGGOBGSA-N -1 3 369.312 2.671 20 5 FFBDHM O=[N+]([O-])c1cc(NCCOc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000738360470 599326438 /nfs/dbraw/zinc/32/64/38/599326438.db2.gz QAYAKOQLYVHVBH-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1cc(NCCOc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000738360470 599326441 /nfs/dbraw/zinc/32/64/41/599326441.db2.gz QAYAKOQLYVHVBH-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM COc1ccc(OCCSc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821845931 599346836 /nfs/dbraw/zinc/34/68/36/599346836.db2.gz MBATYNMLENFHSK-UHFFFAOYSA-N -1 3 373.394 2.955 20 5 FFBDHM COc1ccc(OCCSc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821845931 599346838 /nfs/dbraw/zinc/34/68/38/599346838.db2.gz MBATYNMLENFHSK-UHFFFAOYSA-N -1 3 373.394 2.955 20 5 FFBDHM CC(C)(O)COc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735679038 599349527 /nfs/dbraw/zinc/34/95/27/599349527.db2.gz DGJMHAHAYMLHKF-UHFFFAOYSA-N -1 3 370.369 2.668 20 5 FFBDHM CC(C)(O)COc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735679038 599349530 /nfs/dbraw/zinc/34/95/30/599349530.db2.gz DGJMHAHAYMLHKF-UHFFFAOYSA-N -1 3 370.369 2.668 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Cc3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000738371942 599473489 /nfs/dbraw/zinc/47/34/89/599473489.db2.gz ZQCTVDVWKGJRRW-CYBMUJFWSA-N -1 3 368.372 2.983 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Cc3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000738371942 599473491 /nfs/dbraw/zinc/47/34/91/599473491.db2.gz ZQCTVDVWKGJRRW-CYBMUJFWSA-N -1 3 368.372 2.983 20 5 FFBDHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737421475 599526758 /nfs/dbraw/zinc/52/67/58/599526758.db2.gz IYRVFZDCMDRQPU-STQMWFEESA-N -1 3 365.397 2.861 20 5 FFBDHM Cc1ccccc1[C@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737421475 599526760 /nfs/dbraw/zinc/52/67/60/599526760.db2.gz IYRVFZDCMDRQPU-STQMWFEESA-N -1 3 365.397 2.861 20 5 FFBDHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737421474 599526768 /nfs/dbraw/zinc/52/67/68/599526768.db2.gz IYRVFZDCMDRQPU-QWHCGFSZSA-N -1 3 365.397 2.861 20 5 FFBDHM Cc1ccccc1[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737421474 599526769 /nfs/dbraw/zinc/52/67/69/599526769.db2.gz IYRVFZDCMDRQPU-QWHCGFSZSA-N -1 3 365.397 2.861 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380779 599556990 /nfs/dbraw/zinc/55/69/90/599556990.db2.gz ZVBLZYHRGYHKNG-JTQLQIEISA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380779 599556992 /nfs/dbraw/zinc/55/69/92/599556992.db2.gz ZVBLZYHRGYHKNG-JTQLQIEISA-N -1 3 353.342 2.658 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 ZINC000823303951 599634167 /nfs/dbraw/zinc/63/41/67/599634167.db2.gz ZYQKOEHRFCIGDW-UHFFFAOYSA-N -1 3 368.231 2.639 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1 ZINC000823303951 599634168 /nfs/dbraw/zinc/63/41/68/599634168.db2.gz ZYQKOEHRFCIGDW-UHFFFAOYSA-N -1 3 368.231 2.639 20 5 FFBDHM Cc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc([N+](=O)[O-])c1 ZINC000826258537 607422539 /nfs/dbraw/zinc/42/25/39/607422539.db2.gz NZFPBUJBPYMWAA-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc([N+](=O)[O-])c1 ZINC000826258537 607422540 /nfs/dbraw/zinc/42/25/40/607422540.db2.gz NZFPBUJBPYMWAA-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826253855 607445142 /nfs/dbraw/zinc/44/51/42/607445142.db2.gz HZMIRUAFPXKPAJ-UHFFFAOYSA-N -1 3 367.365 2.678 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826253855 607445145 /nfs/dbraw/zinc/44/51/45/607445145.db2.gz HZMIRUAFPXKPAJ-UHFFFAOYSA-N -1 3 367.365 2.678 20 5 FFBDHM COc1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC000826203637 607466519 /nfs/dbraw/zinc/46/65/19/607466519.db2.gz YYADBBLVEIXYBK-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM COc1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)cc1-c1nn[n-]n1 ZINC000826203637 607466521 /nfs/dbraw/zinc/46/65/21/607466521.db2.gz YYADBBLVEIXYBK-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832905880 601654731 /nfs/dbraw/zinc/65/47/31/601654731.db2.gz XTKJTMQPGBAXQQ-SCLBCKFNSA-N -1 3 371.393 2.893 20 5 FFBDHM Cc1cccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826297489 607563149 /nfs/dbraw/zinc/56/31/49/607563149.db2.gz JXDFYCDDPWCIBW-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1cccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826297489 607563151 /nfs/dbraw/zinc/56/31/51/607563151.db2.gz JXDFYCDDPWCIBW-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM O=C([O-])[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000833167154 604770991 /nfs/dbraw/zinc/77/09/91/604770991.db2.gz YTWHLKNSDBGBMT-GFCCVEGCSA-N -1 3 359.169 2.514 20 5 FFBDHM CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821417545 606272787 /nfs/dbraw/zinc/27/27/87/606272787.db2.gz OHOZLBOAXJAVMJ-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821417545 606272788 /nfs/dbraw/zinc/27/27/88/606272788.db2.gz OHOZLBOAXJAVMJ-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229001 606448859 /nfs/dbraw/zinc/44/88/59/606448859.db2.gz KJNNCYATWBMGOG-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229001 606448861 /nfs/dbraw/zinc/44/88/61/606448861.db2.gz KJNNCYATWBMGOG-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM CC(C)(NC(=O)c1sccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000819988094 606545438 /nfs/dbraw/zinc/54/54/38/606545438.db2.gz SNQZEFRIYSLGHO-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)(NC(=O)c1sccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000819988094 606545439 /nfs/dbraw/zinc/54/54/39/606545439.db2.gz SNQZEFRIYSLGHO-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM C[C@@H](Cc1ccc(O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820301692 606908518 /nfs/dbraw/zinc/90/85/18/606908518.db2.gz ZKMUSCOXLHFOIB-NSHDSACASA-N -1 3 354.370 2.548 20 5 FFBDHM C[C@@H](Cc1ccc(O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820301692 606908519 /nfs/dbraw/zinc/90/85/19/606908519.db2.gz ZKMUSCOXLHFOIB-NSHDSACASA-N -1 3 354.370 2.548 20 5 FFBDHM COc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])cc1F ZINC000821720582 606940340 /nfs/dbraw/zinc/94/03/40/606940340.db2.gz VPNHKOLLROOQRG-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM COc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])cc1F ZINC000821720582 606940342 /nfs/dbraw/zinc/94/03/42/606940342.db2.gz VPNHKOLLROOQRG-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000820636553 607116168 /nfs/dbraw/zinc/11/61/68/607116168.db2.gz UDKMPIBLSGPKPK-SFHVURJKSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000820636553 607116170 /nfs/dbraw/zinc/11/61/70/607116170.db2.gz UDKMPIBLSGPKPK-SFHVURJKSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820549707 607162570 /nfs/dbraw/zinc/16/25/70/607162570.db2.gz QMLOMBSTIQXKSG-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820549707 607162572 /nfs/dbraw/zinc/16/25/72/607162572.db2.gz QMLOMBSTIQXKSG-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820392713 607232601 /nfs/dbraw/zinc/23/26/01/607232601.db2.gz ZOZSKDFAVUDGMS-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820392713 607232602 /nfs/dbraw/zinc/23/26/02/607232602.db2.gz ZOZSKDFAVUDGMS-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(-c2nnn[n-]2)c1 ZINC000826499214 607849742 /nfs/dbraw/zinc/84/97/42/607849742.db2.gz ZWYONJFBQIIFAY-GLQYFDAESA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(-c2nn[n-]n2)c1 ZINC000826499214 607849743 /nfs/dbraw/zinc/84/97/43/607849743.db2.gz ZWYONJFBQIIFAY-GLQYFDAESA-N -1 3 356.386 2.535 20 5 FFBDHM CC(=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823942798 608141550 /nfs/dbraw/zinc/14/15/50/608141550.db2.gz JNRUCNPIIVTTRS-BENRWUELSA-N -1 3 365.349 2.922 20 5 FFBDHM CC(=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823942798 608141551 /nfs/dbraw/zinc/14/15/51/608141551.db2.gz JNRUCNPIIVTTRS-BENRWUELSA-N -1 3 365.349 2.922 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824047159 608162082 /nfs/dbraw/zinc/16/20/82/608162082.db2.gz YHOAJVKLUINYTR-QMMMGPOBSA-N -1 3 373.760 2.566 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccnc1 ZINC000824047159 608162083 /nfs/dbraw/zinc/16/20/83/608162083.db2.gz YHOAJVKLUINYTR-QMMMGPOBSA-N -1 3 373.760 2.566 20 5 FFBDHM CSCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826228724 608163535 /nfs/dbraw/zinc/16/35/35/608163535.db2.gz YDCSKFCUEMYEOW-UHFFFAOYSA-N -1 3 356.795 2.510 20 5 FFBDHM CSCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826228724 608163537 /nfs/dbraw/zinc/16/35/37/608163537.db2.gz YDCSKFCUEMYEOW-UHFFFAOYSA-N -1 3 356.795 2.510 20 5 FFBDHM C[C@H](CCO)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824406721 608240469 /nfs/dbraw/zinc/24/04/69/608240469.db2.gz QTARXDYQAIIJMW-CYBMUJFWSA-N -1 3 368.397 2.552 20 5 FFBDHM C[C@H](CCO)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824406721 608240471 /nfs/dbraw/zinc/24/04/71/608240471.db2.gz QTARXDYQAIIJMW-CYBMUJFWSA-N -1 3 368.397 2.552 20 5 FFBDHM Cc1cccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1[N+](=O)[O-] ZINC000826295921 608435071 /nfs/dbraw/zinc/43/50/71/608435071.db2.gz DCBJHHNKERYUEB-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1[N+](=O)[O-] ZINC000826295921 608435072 /nfs/dbraw/zinc/43/50/72/608435072.db2.gz DCBJHHNKERYUEB-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM CCOc1cccc([C@@H]2C[C@H]2Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000825649791 608588901 /nfs/dbraw/zinc/58/89/01/608588901.db2.gz YEVYHBKCISULEE-DZGCQCFKSA-N -1 3 367.369 2.537 20 5 FFBDHM CCOc1cccc([C@@H]2C[C@H]2Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000825649791 608588902 /nfs/dbraw/zinc/58/89/02/608588902.db2.gz YEVYHBKCISULEE-DZGCQCFKSA-N -1 3 367.369 2.537 20 5 FFBDHM CCOc1cccc([C@H]2C[C@@H]2Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000825649792 608589073 /nfs/dbraw/zinc/58/90/73/608589073.db2.gz YEVYHBKCISULEE-HIFRSBDPSA-N -1 3 367.369 2.537 20 5 FFBDHM CCOc1cccc([C@H]2C[C@@H]2Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000825649792 608589075 /nfs/dbraw/zinc/58/90/75/608589075.db2.gz YEVYHBKCISULEE-HIFRSBDPSA-N -1 3 367.369 2.537 20 5 FFBDHM CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825812855 609324003 /nfs/dbraw/zinc/32/40/03/609324003.db2.gz WEOLSHKZHRTVDE-UHFFFAOYSA-N -1 3 374.307 2.530 20 5 FFBDHM CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825812855 609324005 /nfs/dbraw/zinc/32/40/05/609324005.db2.gz WEOLSHKZHRTVDE-UHFFFAOYSA-N -1 3 374.307 2.530 20 5 FFBDHM CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825820616 609502269 /nfs/dbraw/zinc/50/22/69/609502269.db2.gz MMUSFOWJBHVGNL-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM CN(C(=O)CSc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825820616 609502271 /nfs/dbraw/zinc/50/22/71/609502271.db2.gz MMUSFOWJBHVGNL-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1COc2cc(F)cc(F)c21 ZINC000826497476 609606283 /nfs/dbraw/zinc/60/62/83/609606283.db2.gz ITXONEWJOLISSC-LLVKDONJSA-N -1 3 360.280 2.599 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1COc2cc(F)cc(F)c21 ZINC000826497476 609606284 /nfs/dbraw/zinc/60/62/84/609606284.db2.gz ITXONEWJOLISSC-LLVKDONJSA-N -1 3 360.280 2.599 20 5 FFBDHM Cc1nc(C)c(CC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000746065219 735460701 /nfs/dbraw/zinc/46/07/01/735460701.db2.gz NLKIHWCUVICDOB-UHFFFAOYSA-N -1 3 351.746 2.647 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121496880 728628835 /nfs/dbraw/zinc/62/88/35/728628835.db2.gz CAYGDZRMEHMFED-UHFFFAOYSA-N -1 3 367.427 2.803 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCOCC2)c(Cl)c1 ZINC000867781970 731224589 /nfs/dbraw/zinc/22/45/89/731224589.db2.gz DXQFICGLJOURGE-AAEUAGOBSA-N -1 3 374.846 2.589 20 5 FFBDHM O=C([N-]C[C@H]1CC[C@@H](C(F)(F)F)O1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000927567972 738750996 /nfs/dbraw/zinc/75/09/96/738750996.db2.gz DDNRCUMVCIKHNS-MNOVXSKESA-N -1 3 368.258 2.913 20 5 FFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccc(Cl)cc1 ZINC000759167135 736552372 /nfs/dbraw/zinc/55/23/72/736552372.db2.gz DTUQSUQAJIUJGD-CLFYSBASSA-N -1 3 354.775 2.560 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCOC1 ZINC000921845823 738054405 /nfs/dbraw/zinc/05/44/05/738054405.db2.gz ANEBFFMICMKCSF-XHDPSFHLSA-N -1 3 374.846 2.732 20 5 FFBDHM O=C([N-][C@@H](CO)c1ccc(F)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778422523 738382049 /nfs/dbraw/zinc/38/20/49/738382049.db2.gz MSYKAEJCWYRJFQ-AWEZNQCLSA-N -1 3 354.284 2.676 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 ZINC000808342340 741216327 /nfs/dbraw/zinc/21/63/27/741216327.db2.gz LGNDONIJGPPSOB-MEBBXXQBSA-N -1 3 370.814 2.649 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc([N+](=O)[O-])c1F ZINC000808346785 741217498 /nfs/dbraw/zinc/21/74/98/741217498.db2.gz OOJAOBJRGSPTIW-UHFFFAOYSA-N -1 3 352.334 2.899 20 5 FFBDHM O=c1[n-]c(=O)n(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1Cl ZINC000809958546 741366412 /nfs/dbraw/zinc/36/64/12/741366412.db2.gz BRLYCNBXZMNIDO-UHFFFAOYSA-N -1 3 350.545 2.866 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@]2(F)Cl)c([N+](=O)[O-])c1 ZINC000845982539 748372455 /nfs/dbraw/zinc/37/24/55/748372455.db2.gz RBUCHKYHJSBTQU-QWHCGFSZSA-N -1 3 366.798 2.586 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000849459962 749164218 /nfs/dbraw/zinc/16/42/18/749164218.db2.gz BNSLMXAQXUSGMU-NSHDSACASA-N -1 3 354.762 2.880 20 5 FFBDHM CC(C)(C)OC(=O)NC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853363741 750052319 /nfs/dbraw/zinc/05/23/19/750052319.db2.gz VSIQGDGZQAVMKU-UHFFFAOYSA-N -1 3 352.391 2.943 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000853698686 750138717 /nfs/dbraw/zinc/13/87/17/750138717.db2.gz RTMVCCCHGRXZQB-GHMZBOCLSA-N -1 3 352.391 2.799 20 5 FFBDHM CN(CCOc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821603804 945739457 /nfs/dbraw/zinc/73/94/57/945739457.db2.gz PJILYNFNAKXKIR-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM C[C@H]1[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311528750 963486777 /nfs/dbraw/zinc/48/67/77/963486777.db2.gz AKMGQLAZOWSZNK-WFASDCNBSA-N -1 3 356.382 2.763 20 5 FFBDHM Cc1ccc([C@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000178531951 976366942 /nfs/dbraw/zinc/36/69/42/976366942.db2.gz RTLNFGROLZQDKT-SEJMYLSOSA-N -1 3 351.362 2.865 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC001211902858 979357601 /nfs/dbraw/zinc/35/76/01/979357601.db2.gz GZITUYCSRHBCAQ-VXGBXAGGSA-N -1 3 362.473 2.694 20 5 FFBDHM CN(C)CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC001598223689 990902949 /nfs/dbraw/zinc/90/29/49/990902949.db2.gz ONJJZTIIIPZSDI-UHFFFAOYSA-N -1 3 357.366 2.501 20 5 FFBDHM CCOc1cc(C(=O)[N-]c2cccc3nonc32)c([N+](=O)[O-])cc1OC ZINC000808799291 994271610 /nfs/dbraw/zinc/27/16/10/994271610.db2.gz NNVCYADWNYUYLE-UHFFFAOYSA-N -1 3 358.310 2.791 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000812220356 995386504 /nfs/dbraw/zinc/38/65/04/995386504.db2.gz IIKUCDXWRAJGRU-UHFFFAOYSA-N -1 3 374.309 2.620 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3(O)CCC3)CCC2)c(Cl)c1 ZINC001194700303 1004786303 /nfs/dbraw/zinc/78/63/03/1004786303.db2.gz ZXAMAUIRCKYIQB-UHFFFAOYSA-N -1 3 374.846 2.612 20 5 FFBDHM C[C@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)C[C@H](C)O1 ZINC000747473969 1004792152 /nfs/dbraw/zinc/79/21/52/1004792152.db2.gz BNVLMOQAJPNUCS-RYUDHWBXSA-N -1 3 372.381 2.561 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C(C)C ZINC001187744736 1006228883 /nfs/dbraw/zinc/22/88/83/1006228883.db2.gz JRLILCVEAUMFAR-CQSZACIVSA-N -1 3 362.423 2.772 20 5 FFBDHM O=C([N-]C[C@]12OCCC[C@H]1C2(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855783346 1007555804 /nfs/dbraw/zinc/55/58/04/1007555804.db2.gz LIKYSNMLCRWMIK-YPMHNXCESA-N -1 3 362.279 2.617 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[n-]n1 ZINC001179075663 1009248441 /nfs/dbraw/zinc/24/84/41/1009248441.db2.gz FPIRJSRRCLQMKU-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[n-]1 ZINC001179075663 1009248450 /nfs/dbraw/zinc/24/84/50/1009248450.db2.gz FPIRJSRRCLQMKU-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001275489710 1012533431 /nfs/dbraw/zinc/53/34/31/1012533431.db2.gz DHNICMPKMORGQR-STQMWFEESA-N -1 3 368.328 2.656 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001275489710 1012533445 /nfs/dbraw/zinc/53/34/45/1012533445.db2.gz DHNICMPKMORGQR-STQMWFEESA-N -1 3 368.328 2.656 20 5 FFBDHM C/C(=C\C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000752343817 1023122397 /nfs/dbraw/zinc/12/23/97/1023122397.db2.gz AFRINVSKPDOTGE-PKNBQFBNSA-N -1 3 374.374 2.559 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N-]OCc1ccc(F)cc1 ZINC000754724920 1023508321 /nfs/dbraw/zinc/50/83/21/1023508321.db2.gz XUUUKSUQQILNJI-UHFFFAOYSA-N -1 3 363.301 2.823 20 5 FFBDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)n[n-]2)o1 ZINC000194065988 1024739058 /nfs/dbraw/zinc/73/90/58/1024739058.db2.gz XLXUXMNQJGBUMP-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)[n-]n2)o1 ZINC000194065988 1024739065 /nfs/dbraw/zinc/73/90/65/1024739065.db2.gz XLXUXMNQJGBUMP-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661776 1034355262 /nfs/dbraw/zinc/35/52/62/1034355262.db2.gz OYLGLMHKFTYPRX-SJKOYZFVSA-N -1 3 365.386 2.864 20 5 FFBDHM Cn1cc2cccc(-c3noc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4)n3)c2n1 ZINC001247999263 1040093283 /nfs/dbraw/zinc/09/32/83/1040093283.db2.gz KHWRATHJGQQGDP-UHFFFAOYSA-N -1 3 364.321 2.784 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001213399118 1040513858 /nfs/dbraw/zinc/51/38/58/1040513858.db2.gz VGXHKWBRUCLDFN-HNNXBMFYSA-N -1 3 374.434 2.916 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC001213450548 1040563874 /nfs/dbraw/zinc/56/38/74/1040563874.db2.gz CFVOBISEWMUBHA-ABAIWWIYSA-N -1 3 374.846 2.732 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)c(Cl)c1 ZINC001309726873 1043498862 /nfs/dbraw/zinc/49/88/62/1043498862.db2.gz UEYHCJYXLBJNPY-ZFWWWQNUSA-N -1 3 374.846 2.874 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)c([N+](=O)[O-])s1 ZINC001309884528 1043571444 /nfs/dbraw/zinc/57/14/44/1043571444.db2.gz XOCVNNYGIMIRMG-ZDUSSCGKSA-N -1 3 353.425 2.789 20 5 FFBDHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001331323747 1047865274 /nfs/dbraw/zinc/86/52/74/1047865274.db2.gz CWPMCOCFTJOIJC-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)[n-]n1 ZINC001299813485 1050612422 /nfs/dbraw/zinc/61/24/22/1050612422.db2.gz MSZCWKCMGPTZRD-UHFFFAOYSA-N -1 3 350.306 2.665 20 5 FFBDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2F)n[n-]1 ZINC001299813485 1050612430 /nfs/dbraw/zinc/61/24/30/1050612430.db2.gz MSZCWKCMGPTZRD-UHFFFAOYSA-N -1 3 350.306 2.665 20 5 FFBDHM CNC(=O)N(C)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC001308504165 1052462316 /nfs/dbraw/zinc/46/23/16/1052462316.db2.gz MCTVPQVFAPQYTQ-UHFFFAOYSA-N -1 3 360.370 2.697 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001309067974 1052549174 /nfs/dbraw/zinc/54/91/74/1052549174.db2.gz WCGDVNYZLDXYEW-XHDPSFHLSA-N -1 3 374.434 2.916 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)c(F)c1 ZINC001309359045 1052604960 /nfs/dbraw/zinc/60/49/60/1052604960.db2.gz WKUVGTFRELZCEV-LBPRGKRZSA-N -1 3 364.398 2.817 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])cc2Cl)c([N+](=O)[O-])c1 ZINC001453313352 1059356594 /nfs/dbraw/zinc/35/65/94/1059356594.db2.gz ITUIKSRNRLKYQN-UHFFFAOYSA-N -1 3 370.770 2.610 20 5 FFBDHM O=c1cc(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)nc(C2CC2)[n-]1 ZINC001458610136 1060633007 /nfs/dbraw/zinc/63/30/07/1060633007.db2.gz WQUNIISCQXZMIW-UHFFFAOYSA-N -1 3 355.276 2.994 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOCC23CCCC3)c(F)cc1[N+](=O)[O-] ZINC001475792633 1061278027 /nfs/dbraw/zinc/27/80/27/1061278027.db2.gz IUBJBDQAYNPSTB-HNNXBMFYSA-N -1 3 372.418 2.670 20 5 FFBDHM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001528617352 1061977829 /nfs/dbraw/zinc/97/78/29/1061977829.db2.gz NTOIWVNWKPJJFK-UHFFFAOYSA-N -1 3 364.308 2.700 20 5 FFBDHM Cc1ccc(C2(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC2)c(C)c1 ZINC001463775677 1062254166 /nfs/dbraw/zinc/25/41/66/1062254166.db2.gz OSMXBRBLSLUBPU-UHFFFAOYSA-N -1 3 361.423 2.617 20 5 FFBDHM CC(C)(C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC001470698143 1064414584 /nfs/dbraw/zinc/41/45/84/1064414584.db2.gz SBQJMHWNJKQYAF-UHFFFAOYSA-N -1 3 370.409 2.952 20 5 FFBDHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001470777727 1064449343 /nfs/dbraw/zinc/44/93/43/1064449343.db2.gz MANFZIOZHUQHMR-LIRRHRJNSA-N -1 3 369.421 2.941 20 5 FFBDHM O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001472289348 1065003782 /nfs/dbraw/zinc/00/37/82/1065003782.db2.gz XFPCFXNFMFXYDP-YEORSEQZSA-N -1 3 374.372 2.615 20 5 FFBDHM CCOc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2C)ccc1[N+](=O)[O-] ZINC001578393433 1078469229 /nfs/dbraw/zinc/46/92/29/1078469229.db2.gz SXZSRROWCRCQGU-UHFFFAOYSA-N -1 3 368.353 2.734 20 5 FFBDHM CCOc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2C)ccc1[N+](=O)[O-] ZINC001578393433 1078469231 /nfs/dbraw/zinc/46/92/31/1078469231.db2.gz SXZSRROWCRCQGU-UHFFFAOYSA-N -1 3 368.353 2.734 20 5 FFBDHM CON(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H](C)C1 ZINC001579847231 1078696944 /nfs/dbraw/zinc/69/69/44/1078696944.db2.gz DZHQKAWRCWASMK-CHWSQXEVSA-N -1 3 360.418 2.965 20 5 FFBDHM CON(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H](C)C1 ZINC001579847231 1078696946 /nfs/dbraw/zinc/69/69/46/1078696946.db2.gz DZHQKAWRCWASMK-CHWSQXEVSA-N -1 3 360.418 2.965 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001580935836 1078896806 /nfs/dbraw/zinc/89/68/06/1078896806.db2.gz TXJQQMYZDJDPJB-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001580935836 1078896811 /nfs/dbraw/zinc/89/68/11/1078896811.db2.gz TXJQQMYZDJDPJB-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)cc1[N+](=O)[O-] ZINC001581213652 1078939581 /nfs/dbraw/zinc/93/95/81/1078939581.db2.gz DFDVTMCFTIYBHR-NSHDSACASA-N -1 3 368.353 2.705 20 5 FFBDHM Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)cc1[N+](=O)[O-] ZINC001581213652 1078939587 /nfs/dbraw/zinc/93/95/87/1078939587.db2.gz DFDVTMCFTIYBHR-NSHDSACASA-N -1 3 368.353 2.705 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1CCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC001581551726 1078977460 /nfs/dbraw/zinc/97/74/60/1078977460.db2.gz UZPYMNKPJPKYTC-UHFFFAOYSA-N -1 3 365.806 2.726 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1CCSc1ccc(-c2nn[n-]n2)cc1Cl ZINC001581551726 1078977465 /nfs/dbraw/zinc/97/74/65/1078977465.db2.gz UZPYMNKPJPKYTC-UHFFFAOYSA-N -1 3 365.806 2.726 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001582705485 1079102055 /nfs/dbraw/zinc/10/20/55/1079102055.db2.gz QHBISXFJPYXUBW-UHFFFAOYSA-N -1 3 370.756 2.584 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001582705485 1079102057 /nfs/dbraw/zinc/10/20/57/1079102057.db2.gz QHBISXFJPYXUBW-UHFFFAOYSA-N -1 3 370.756 2.584 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001582804461 1079109602 /nfs/dbraw/zinc/10/96/02/1079109602.db2.gz UADYCZXIZAZWEZ-CYBMUJFWSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001582804461 1079109612 /nfs/dbraw/zinc/10/96/12/1079109612.db2.gz UADYCZXIZAZWEZ-CYBMUJFWSA-N -1 3 368.353 2.686 20 5 FFBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001558189758 1075958686 /nfs/dbraw/zinc/95/86/86/1075958686.db2.gz PEHGDYKKHLSCGU-UHFFFAOYSA-N -1 3 374.784 2.706 20 5 FFBDHM O=C([N-]OCc1ccccn1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001570186041 1077188643 /nfs/dbraw/zinc/18/86/43/1077188643.db2.gz AXVKYSTXKDWPKO-UHFFFAOYSA-N -1 3 370.134 2.753 20 5 FFBDHM COc1cc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc(OC)c1[O-] ZINC001570746953 1077228006 /nfs/dbraw/zinc/22/80/06/1077228006.db2.gz MSXMKUWDQBHYMA-UHFFFAOYSA-N -1 3 368.292 2.526 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001588906585 1080254638 /nfs/dbraw/zinc/25/46/38/1080254638.db2.gz BBYPRVAGLJKOTM-UHFFFAOYSA-N -1 3 364.365 2.540 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC001588906585 1080254645 /nfs/dbraw/zinc/25/46/45/1080254645.db2.gz BBYPRVAGLJKOTM-UHFFFAOYSA-N -1 3 364.365 2.540 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCc1cccc([N+](=O)[O-])c1 ZINC001588909727 1080257673 /nfs/dbraw/zinc/25/76/73/1080257673.db2.gz JRUPABFOKICSGJ-UHFFFAOYSA-N -1 3 352.354 2.632 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCc1cccc([N+](=O)[O-])c1 ZINC001588909727 1080257681 /nfs/dbraw/zinc/25/76/81/1080257681.db2.gz JRUPABFOKICSGJ-UHFFFAOYSA-N -1 3 352.354 2.632 20 5 FFBDHM CC(C)Oc1nc(NCCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001589759223 1080714951 /nfs/dbraw/zinc/71/49/51/1080714951.db2.gz FLVJCWYMRVRNCM-UHFFFAOYSA-N -1 3 369.385 2.612 20 5 FFBDHM C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589875303 1080823496 /nfs/dbraw/zinc/82/34/96/1080823496.db2.gz DGMWISZONHQUCY-SNVBAGLBSA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589875303 1080823499 /nfs/dbraw/zinc/82/34/99/1080823499.db2.gz DGMWISZONHQUCY-SNVBAGLBSA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589936616 1080880025 /nfs/dbraw/zinc/88/00/25/1080880025.db2.gz LXHXFIATVZEJGH-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589936616 1080880036 /nfs/dbraw/zinc/88/00/36/1080880036.db2.gz LXHXFIATVZEJGH-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@](O)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001589990994 1080926806 /nfs/dbraw/zinc/92/68/06/1080926806.db2.gz NEJRLDNFJMKEEW-MRXNPFEDSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@@](O)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001589990994 1080926808 /nfs/dbraw/zinc/92/68/08/1080926808.db2.gz NEJRLDNFJMKEEW-MRXNPFEDSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@]12CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@H]1C2(Cl)Cl ZINC001590155029 1081057748 /nfs/dbraw/zinc/05/77/48/1081057748.db2.gz GRHVRYZNHNFMHM-YPMHNXCESA-N -1 3 369.212 2.795 20 5 FFBDHM C[C@]12CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@H]1C2(Cl)Cl ZINC001590155029 1081057755 /nfs/dbraw/zinc/05/77/55/1081057755.db2.gz GRHVRYZNHNFMHM-YPMHNXCESA-N -1 3 369.212 2.795 20 5 FFBDHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590213729 1081096630 /nfs/dbraw/zinc/09/66/30/1081096630.db2.gz JROYIYKFAATEPK-BXUZGUMPSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590213729 1081096636 /nfs/dbraw/zinc/09/66/36/1081096636.db2.gz JROYIYKFAATEPK-BXUZGUMPSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590213734 1081096911 /nfs/dbraw/zinc/09/69/11/1081096911.db2.gz JROYIYKFAATEPK-RISCZKNCSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@H](c2ccccc2)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590213734 1081096918 /nfs/dbraw/zinc/09/69/18/1081096918.db2.gz JROYIYKFAATEPK-RISCZKNCSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590214436 1081097613 /nfs/dbraw/zinc/09/76/13/1081097613.db2.gz PUGWTCQYADWSPJ-ZWNOBZJWSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590214436 1081097618 /nfs/dbraw/zinc/09/76/18/1081097618.db2.gz PUGWTCQYADWSPJ-ZWNOBZJWSA-N -1 3 369.360 2.691 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCN(C2CCCC2)C1 ZINC000106891575 250297441 /nfs/dbraw/zinc/29/74/41/250297441.db2.gz DABJBDNIDGFLBM-LBPRGKRZSA-N -1 3 373.862 2.543 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000272426476 252036929 /nfs/dbraw/zinc/03/69/29/252036929.db2.gz OEYMICOYVJNYCP-CYBMUJFWSA-N -1 3 354.384 2.552 20 5 FFBDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000056073790 221077086 /nfs/dbraw/zinc/07/70/86/221077086.db2.gz LDUJPOOWDLQNNH-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM CCOCCOCc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000277994063 256264643 /nfs/dbraw/zinc/26/46/43/256264643.db2.gz XAYFKZMAQLGJMQ-UHFFFAOYSA-N -1 3 361.354 2.501 20 5 FFBDHM O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000279198206 256392101 /nfs/dbraw/zinc/39/21/01/256392101.db2.gz KNQQZDOGTVHCNG-OQPBUACISA-N -1 3 373.287 2.985 20 5 FFBDHM O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000279198206 256392102 /nfs/dbraw/zinc/39/21/02/256392102.db2.gz KNQQZDOGTVHCNG-OQPBUACISA-N -1 3 373.287 2.985 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1[N-]Cc1nnc2n1CCC2 ZINC000298440546 257912294 /nfs/dbraw/zinc/91/22/94/257912294.db2.gz QNSHWVLBMVGPLI-UHFFFAOYSA-N -1 3 372.263 2.672 20 5 FFBDHM CC(C)CCn1ccc([N-]c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000302028637 258083017 /nfs/dbraw/zinc/08/30/17/258083017.db2.gz MDMUGQTVICTYMV-UHFFFAOYSA-N -1 3 352.416 2.985 20 5 FFBDHM O=C(NCCNc1ccc([N+](=O)[O-])c2cccnc12)c1ccc([O-])cc1 ZINC000301566742 258056468 /nfs/dbraw/zinc/05/64/68/258056468.db2.gz ZKYGMWSTULRLAU-UHFFFAOYSA-N -1 3 352.350 2.691 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000330646903 258167491 /nfs/dbraw/zinc/16/74/91/258167491.db2.gz ZJZXHUJHKGZPEM-DZGCQCFKSA-N -1 3 356.444 2.694 20 5 FFBDHM CC(C)(C)NS(=O)(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000032503285 506260065 /nfs/dbraw/zinc/26/00/65/506260065.db2.gz ZBWVYTAHPSWAMV-UHFFFAOYSA-N -1 3 367.383 2.517 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000065795363 506367849 /nfs/dbraw/zinc/36/78/49/506367849.db2.gz ZOINNHSKRRRYBT-GXTWGEPZSA-N -1 3 354.334 2.707 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000005126719 506424750 /nfs/dbraw/zinc/42/47/50/506424750.db2.gz VIKYNTJRGIXIII-UHFFFAOYSA-N -1 3 362.285 2.822 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1C ZINC000055265746 506713846 /nfs/dbraw/zinc/71/38/46/506713846.db2.gz JJWIOYTZWJPKIF-CYBMUJFWSA-N -1 3 364.423 2.821 20 5 FFBDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000056139255 506945857 /nfs/dbraw/zinc/94/58/57/506945857.db2.gz OQGJZAXQOAAEKW-UHFFFAOYSA-N -1 3 350.396 2.569 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccccc2C1 ZINC000045814734 507026862 /nfs/dbraw/zinc/02/68/62/507026862.db2.gz ALBPPNXVJJTRSW-LBPRGKRZSA-N -1 3 368.798 2.530 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000017333944 507122841 /nfs/dbraw/zinc/12/28/41/507122841.db2.gz UGJYAONQQZWSLT-UHFFFAOYSA-N -1 3 361.832 2.700 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(SC)cc1 ZINC000057022267 507153259 /nfs/dbraw/zinc/15/32/59/507153259.db2.gz LZYQXFGBQCEYTJ-UHFFFAOYSA-N -1 3 368.436 2.804 20 5 FFBDHM COc1cc(CCNC(=O)c2ccc(C)c(C)c2[O-])c([N+](=O)[O-])cc1OC ZINC000048400675 507519074 /nfs/dbraw/zinc/51/90/74/507519074.db2.gz SSYNTJUKLJUFKX-UHFFFAOYSA-N -1 3 374.393 2.907 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000060509783 507554899 /nfs/dbraw/zinc/55/48/99/507554899.db2.gz ITSUVAVRQNEKLJ-JTQLQIEISA-N -1 3 356.425 2.574 20 5 FFBDHM Cc1cccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000026288044 507575319 /nfs/dbraw/zinc/57/53/19/507575319.db2.gz PVFFPLLNRWMBDJ-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1 ZINC000026844674 507613669 /nfs/dbraw/zinc/61/36/69/507613669.db2.gz JQYKRKGRQGULHL-UHFFFAOYSA-N -1 3 364.423 2.860 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000028317967 507719240 /nfs/dbraw/zinc/71/92/40/507719240.db2.gz ZLJPRBJEGHJXQY-UHFFFAOYSA-N -1 3 362.816 2.797 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000028318068 507719309 /nfs/dbraw/zinc/71/93/09/507719309.db2.gz SHIDQHBNOCAGRF-UHFFFAOYSA-N -1 3 362.816 2.797 20 5 FFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000080282043 508061490 /nfs/dbraw/zinc/06/14/90/508061490.db2.gz ZTOTXFYITXVLFP-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000081187162 508146522 /nfs/dbraw/zinc/14/65/22/508146522.db2.gz PPJRZMMBDKDNEB-UONOGXRCSA-N -1 3 364.427 2.562 20 5 FFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c1 ZINC000112361544 508179679 /nfs/dbraw/zinc/17/96/79/508179679.db2.gz GTTADIWKNILYMJ-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000101582211 508249031 /nfs/dbraw/zinc/24/90/31/508249031.db2.gz WUCSYEDBAWIRCF-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1 ZINC000115582772 508412912 /nfs/dbraw/zinc/41/29/12/508412912.db2.gz LHIKPONUGFHFSY-AWEZNQCLSA-N -1 3 361.423 2.542 20 5 FFBDHM COc1ccc([N-]C(=O)c2cn(-c3cccc(C)c3)nn2)c([N+](=O)[O-])c1 ZINC000133632621 508426981 /nfs/dbraw/zinc/42/69/81/508426981.db2.gz HYHMAEWDTGGMOI-UHFFFAOYSA-N -1 3 353.338 2.745 20 5 FFBDHM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152402342 508439560 /nfs/dbraw/zinc/43/95/60/508439560.db2.gz LTIBQFXWJYVOLP-UHFFFAOYSA-N -1 3 350.396 2.780 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)cc1C ZINC000127807805 508502924 /nfs/dbraw/zinc/50/29/24/508502924.db2.gz YFTUURYXFLLOMW-GDBMZVCRSA-N -1 3 370.471 2.821 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCC1 ZINC000122539795 508551195 /nfs/dbraw/zinc/55/11/95/508551195.db2.gz VJEYJFQFBHBRSK-UHFFFAOYSA-N -1 3 356.444 2.778 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)cc1C ZINC000134648190 508554823 /nfs/dbraw/zinc/55/48/23/508554823.db2.gz MUDXEUUBDULONU-CQSZACIVSA-N -1 3 368.455 2.982 20 5 FFBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000135574017 508625717 /nfs/dbraw/zinc/62/57/17/508625717.db2.gz ALFCBVKXJKSGGC-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000135574017 508625721 /nfs/dbraw/zinc/62/57/21/508625721.db2.gz ALFCBVKXJKSGGC-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000154785272 508855266 /nfs/dbraw/zinc/85/52/66/508855266.db2.gz QASAUHZEOBMJSO-CQSZACIVSA-N -1 3 367.452 2.930 20 5 FFBDHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000124957653 508910850 /nfs/dbraw/zinc/91/08/50/508910850.db2.gz UAEJWSJSZDBYDE-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000125350773 508970227 /nfs/dbraw/zinc/97/02/27/508970227.db2.gz MGZNNQSGCBJIKS-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM Cc1ccc(NCCC[N-]S(=O)(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000151689871 509067044 /nfs/dbraw/zinc/06/70/44/509067044.db2.gz OCEBYHHAYZFNLU-UHFFFAOYSA-N -1 3 355.441 2.745 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000248851754 509511950 /nfs/dbraw/zinc/51/19/50/509511950.db2.gz OVFQTCWYPCIVNX-CZUORRHYSA-N -1 3 355.394 2.551 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000173382707 509565381 /nfs/dbraw/zinc/56/53/81/509565381.db2.gz PSCWHSGANCZNNJ-KBPBESRZSA-N -1 3 354.428 2.529 20 5 FFBDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000173461672 509614724 /nfs/dbraw/zinc/61/47/24/509614724.db2.gz PTWBEADCQIGEIW-ZDUSSCGKSA-N -1 3 353.425 2.789 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC000167596945 509634703 /nfs/dbraw/zinc/63/47/03/509634703.db2.gz DXAMGSRSHRMRRK-JSGCOSHPSA-N -1 3 362.407 2.746 20 5 FFBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176691794 509644489 /nfs/dbraw/zinc/64/44/89/509644489.db2.gz AVHZKASJMPYTMI-SNVBAGLBSA-N -1 3 372.834 2.638 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2Cc3ccccc3C2)c(Cl)c1 ZINC000186378267 509678916 /nfs/dbraw/zinc/67/89/16/509678916.db2.gz FHJGKKLVHDFNLM-UHFFFAOYSA-N -1 3 352.799 2.694 20 5 FFBDHM CCc1ccc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)s1 ZINC000186433209 509705462 /nfs/dbraw/zinc/70/54/62/509705462.db2.gz SCIZYARHZLAAFO-UHFFFAOYSA-N -1 3 374.415 2.845 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000183320236 509714431 /nfs/dbraw/zinc/71/44/31/509714431.db2.gz MKJYMRCYZRFHOM-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000190457842 510142192 /nfs/dbraw/zinc/14/21/92/510142192.db2.gz JBAUIFQWHAAEOH-UHFFFAOYSA-N -1 3 362.407 2.959 20 5 FFBDHM CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000187453598 510273934 /nfs/dbraw/zinc/27/39/34/510273934.db2.gz YMRTZFUZUQJGIU-GOSISDBHSA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000190728259 510312445 /nfs/dbraw/zinc/31/24/45/510312445.db2.gz BOJYGDWBSUUGMC-ZDUSSCGKSA-N -1 3 366.370 2.844 20 5 FFBDHM Cc1cc(C)n(-c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000187553689 510328431 /nfs/dbraw/zinc/32/84/31/510328431.db2.gz QGZUIUILNOIYJZ-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM CC[C@@H](C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000191416927 510649877 /nfs/dbraw/zinc/64/98/77/510649877.db2.gz NQUPERGAXVSKKM-LBPRGKRZSA-N -1 3 361.320 2.599 20 5 FFBDHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191450851 510666048 /nfs/dbraw/zinc/66/60/48/510666048.db2.gz PJRQQKWQWNOMQO-UHFFFAOYSA-N -1 3 352.372 2.610 20 5 FFBDHM O=C(Nc1cc(F)ccc1[O-])c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000182077024 510744328 /nfs/dbraw/zinc/74/43/28/510744328.db2.gz HVDMQLBIYAWWRS-UHFFFAOYSA-N -1 3 361.329 2.528 20 5 FFBDHM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175844432 510819906 /nfs/dbraw/zinc/81/99/06/510819906.db2.gz JQCFTCVGAFWACN-UHFFFAOYSA-N -1 3 352.350 2.726 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000279803055 511221240 /nfs/dbraw/zinc/22/12/40/511221240.db2.gz PIXZHBRTVDANDQ-SECBINFHSA-N -1 3 350.849 2.588 20 5 FFBDHM COc1ccsc1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291835737 511357942 /nfs/dbraw/zinc/35/79/42/511357942.db2.gz GKWBCEHYJAJXGW-UHFFFAOYSA-N -1 3 356.425 2.879 20 5 FFBDHM CC(C)Oc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1[N+](=O)[O-] ZINC000411298689 512569182 /nfs/dbraw/zinc/56/91/82/512569182.db2.gz ZLUSQUAQNPXNTJ-UHFFFAOYSA-N -1 3 359.264 2.771 20 5 FFBDHM CC(C)Oc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC000411298689 512569183 /nfs/dbraw/zinc/56/91/83/512569183.db2.gz ZLUSQUAQNPXNTJ-UHFFFAOYSA-N -1 3 359.264 2.771 20 5 FFBDHM COc1ccc(CSCC(=O)Nc2nc(C)ccc2[O-])cc1[N+](=O)[O-] ZINC000447637104 513528655 /nfs/dbraw/zinc/52/86/55/513528655.db2.gz NYUDWZDKZMOLOQ-UHFFFAOYSA-N -1 3 363.395 2.884 20 5 FFBDHM O=[N+]([O-])c1ccc2[nH]c(NCc3ccc([O-])c(Br)c3)nc2c1 ZINC000447689832 513544576 /nfs/dbraw/zinc/54/45/76/513544576.db2.gz UBKVEBAEUJJPHC-UHFFFAOYSA-N -1 3 363.171 2.973 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416422722 513764708 /nfs/dbraw/zinc/76/47/08/513764708.db2.gz OAORXEKRYYVHTM-UHFFFAOYSA-N -1 3 367.427 2.803 20 5 FFBDHM CC(C)c1[nH]nc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)c1[N+](=O)[O-] ZINC000448492518 513768275 /nfs/dbraw/zinc/76/82/75/513768275.db2.gz NPYMHCPBCZYYDN-UHFFFAOYSA-N -1 3 359.317 2.910 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000436167706 513780622 /nfs/dbraw/zinc/78/06/22/513780622.db2.gz VRFHGSMSZPPARF-OAHLLOKOSA-N -1 3 368.386 2.708 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCSC1 ZINC000416477513 513792238 /nfs/dbraw/zinc/79/22/38/513792238.db2.gz UEYBHCUFGUXFAV-MRVPVSSYSA-N -1 3 370.374 2.645 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)c1[N+](=O)[O-] ZINC000416605000 513862875 /nfs/dbraw/zinc/86/28/75/513862875.db2.gz XAZJFKIFIWLKLP-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000443284260 513920703 /nfs/dbraw/zinc/92/07/03/513920703.db2.gz LWZGPNGLBQJQOC-UHFFFAOYSA-N -1 3 358.460 2.821 20 5 FFBDHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000431585670 513937502 /nfs/dbraw/zinc/93/75/02/513937502.db2.gz GHMZEZKMTBWGCZ-HAQNSBGRSA-N -1 3 370.427 2.629 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC=C(C)C ZINC000451742688 513952659 /nfs/dbraw/zinc/95/26/59/513952659.db2.gz RMLKVDJUBIPGMP-LBPRGKRZSA-N -1 3 370.427 2.795 20 5 FFBDHM C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1Cc1ccccc1 ZINC000436748823 513966378 /nfs/dbraw/zinc/96/63/78/513966378.db2.gz HMFSDDWQJCCOQK-SUMWQHHRSA-N -1 3 355.394 2.693 20 5 FFBDHM COc1cc(C[NH2+]CC[C@H](Cc2ccccc2)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000426659393 514007462 /nfs/dbraw/zinc/00/74/62/514007462.db2.gz FGENVOHILBDMRO-CQSZACIVSA-N -1 3 374.393 2.732 20 5 FFBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000451827746 514007906 /nfs/dbraw/zinc/00/79/06/514007906.db2.gz QWJQAKUMHJTJJP-KRWDZBQOSA-N -1 3 364.423 2.743 20 5 FFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc2ccccc2[nH]c1=O ZINC000426805807 514045377 /nfs/dbraw/zinc/04/53/77/514045377.db2.gz FXKQEKDDOGYYMT-INIZCTEOSA-N -1 3 367.361 2.634 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C1CCCC1 ZINC000451994282 514118724 /nfs/dbraw/zinc/11/87/24/514118724.db2.gz LRENVTMREKNZHC-CQSZACIVSA-N -1 3 370.427 2.629 20 5 FFBDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438249626 514338092 /nfs/dbraw/zinc/33/80/92/514338092.db2.gz WLCINQSQNYKNLC-UHFFFAOYSA-N -1 3 355.441 2.561 20 5 FFBDHM Cc1ccc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000417632348 514443749 /nfs/dbraw/zinc/44/37/49/514443749.db2.gz YLQLZIVXWQYTID-CYBMUJFWSA-N -1 3 352.387 2.568 20 5 FFBDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000508073476 514657142 /nfs/dbraw/zinc/65/71/42/514657142.db2.gz KXVVXSQVYQFPAP-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM CCN1CCN(c2ccccc2NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000475489688 514685483 /nfs/dbraw/zinc/68/54/83/514685483.db2.gz YIVGBBMAKMBOMM-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502713451 514750170 /nfs/dbraw/zinc/75/01/70/514750170.db2.gz XGBKJYDFFWKEPE-AWEZNQCLSA-N -1 3 355.460 2.528 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000476193490 514942613 /nfs/dbraw/zinc/94/26/13/514942613.db2.gz NXMYNSLNMMGFFY-UHFFFAOYSA-N -1 3 362.835 2.876 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCCCC1 ZINC000476197438 514943861 /nfs/dbraw/zinc/94/38/61/514943861.db2.gz SJWKCHURPLMZJY-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000467258959 514954981 /nfs/dbraw/zinc/95/49/81/514954981.db2.gz PPCBBAXCARGNEU-ZDUSSCGKSA-N -1 3 352.437 2.801 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCC2 ZINC000462324289 514995013 /nfs/dbraw/zinc/99/50/13/514995013.db2.gz XBINMMFZQOCXBX-HOTGVXAUSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)c1C ZINC000480746976 515069023 /nfs/dbraw/zinc/06/90/23/515069023.db2.gz SSHHAJIUNJVBAI-LBPRGKRZSA-N -1 3 372.443 2.610 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000462487473 515079049 /nfs/dbraw/zinc/07/90/49/515079049.db2.gz JVROQEFHPARVEH-HIFRSBDPSA-N -1 3 362.407 2.513 20 5 FFBDHM O=C(COc1ccccc1[N+](=O)[O-])N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467717936 515093387 /nfs/dbraw/zinc/09/33/87/515093387.db2.gz JAFRNCSPUFLZLY-UHFFFAOYSA-N -1 3 374.303 2.703 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000476578035 515112516 /nfs/dbraw/zinc/11/25/16/515112516.db2.gz SEEOGPCKTKNUCX-QMMMGPOBSA-N -1 3 363.317 2.620 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000480953334 515148950 /nfs/dbraw/zinc/14/89/50/515148950.db2.gz MVWOAOVWOFQFHV-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)C ZINC000480984948 515162132 /nfs/dbraw/zinc/16/21/32/515162132.db2.gz SGGIJBGHXFYOIF-HNNXBMFYSA-N -1 3 358.460 2.941 20 5 FFBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])nc2c1 ZINC000481036804 515181407 /nfs/dbraw/zinc/18/14/07/515181407.db2.gz MDRPUVUTKSQNLW-UHFFFAOYSA-N -1 3 374.422 2.875 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])[nH]c2c1 ZINC000481036804 515181416 /nfs/dbraw/zinc/18/14/16/515181416.db2.gz MDRPUVUTKSQNLW-UHFFFAOYSA-N -1 3 374.422 2.875 20 5 FFBDHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000462722012 515213684 /nfs/dbraw/zinc/21/36/84/515213684.db2.gz OEJWLKUUZFJIIO-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000490625468 515265199 /nfs/dbraw/zinc/26/51/99/515265199.db2.gz KRWLMFIEFMHAJU-GHMZBOCLSA-N -1 3 360.407 2.847 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000481335473 515295071 /nfs/dbraw/zinc/29/50/71/515295071.db2.gz FDWOKXQOIRQLQG-WCQYABFASA-N -1 3 360.457 2.556 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000499695060 515415556 /nfs/dbraw/zinc/41/55/56/515415556.db2.gz XIASWTRFCKNFFP-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000499768965 515448426 /nfs/dbraw/zinc/44/84/26/515448426.db2.gz YHBLSLLPAPEOBV-UHFFFAOYSA-N -1 3 364.423 2.869 20 5 FFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000481857410 515490911 /nfs/dbraw/zinc/49/09/11/515490911.db2.gz APHHTIWPCCONEX-UHFFFAOYSA-N -1 3 350.404 2.555 20 5 FFBDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000510675693 515632756 /nfs/dbraw/zinc/63/27/56/515632756.db2.gz RZQLSDWGVHSASI-UHFFFAOYSA-N -1 3 357.363 2.552 20 5 FFBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])n3C)c2)n1 ZINC000500337153 515670744 /nfs/dbraw/zinc/67/07/44/515670744.db2.gz ZBALFAJZZAPUPI-UHFFFAOYSA-N -1 3 367.365 2.911 20 5 FFBDHM COc1cc(CNc2cccc(N3CCNC3=O)c2C)c([N+](=O)[O-])cc1[O-] ZINC000487181984 515788388 /nfs/dbraw/zinc/78/83/88/515788388.db2.gz SNJBINCRTMCEKV-UHFFFAOYSA-N -1 3 372.381 2.759 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(CN(C)C)cs1 ZINC000457304475 515795204 /nfs/dbraw/zinc/79/52/04/515795204.db2.gz CYWXJYYLRZVUOY-UHFFFAOYSA-N -1 3 350.400 2.764 20 5 FFBDHM O=C(Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1)c1ccoc1 ZINC000500809989 515867955 /nfs/dbraw/zinc/86/79/55/515867955.db2.gz OSIDMWPXXMVQFH-UHFFFAOYSA-N -1 3 368.305 2.793 20 5 FFBDHM COc1ccc2[nH]nc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)c2c1 ZINC000495633622 516195199 /nfs/dbraw/zinc/19/51/99/516195199.db2.gz AEVKKOIXHMHQEE-UHFFFAOYSA-N -1 3 352.310 2.608 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000507578814 516251684 /nfs/dbraw/zinc/25/16/84/516251684.db2.gz RSWOIQWXZOZOAG-UHFFFAOYSA-N -1 3 372.349 2.983 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000461036761 516308561 /nfs/dbraw/zinc/30/85/61/516308561.db2.gz ZDMSWPXYAXMUHX-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000524021331 516628139 /nfs/dbraw/zinc/62/81/39/516628139.db2.gz VGVDMXDADOLJCG-ABAIWWIYSA-N -1 3 374.434 2.854 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c1C ZINC000531956635 516730862 /nfs/dbraw/zinc/73/08/62/516730862.db2.gz GOUGSKDVFLCOJY-UHFFFAOYSA-N -1 3 362.407 2.625 20 5 FFBDHM COc1cc(=NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[n-]n1C ZINC000548144629 516791830 /nfs/dbraw/zinc/79/18/30/516791830.db2.gz CLGUBCVQMKSHAE-UHFFFAOYSA-N -1 3 367.365 2.755 20 5 FFBDHM COc1ccc([N-]C(=O)c2cnc(-c3ncccn3)s2)cc1[N+](=O)[O-] ZINC000541071755 516857886 /nfs/dbraw/zinc/85/78/86/516857886.db2.gz DHMBRRCSODDGPK-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM COc1cccc(-c2nc(Cc3ccc([N+](=O)[O-])c(OC)c3)no2)c1[O-] ZINC000545073509 517041089 /nfs/dbraw/zinc/04/10/89/517041089.db2.gz ZUJUDCDIRMFVAZ-UHFFFAOYSA-N -1 3 357.322 2.958 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1 ZINC000515201462 517252496 /nfs/dbraw/zinc/25/24/96/517252496.db2.gz ZOQPQPASCUTGFO-UHFFFAOYSA-N -1 3 370.770 2.820 20 5 FFBDHM O=C([N-]c1nc2cc3c(cc2s1)OC(F)(F)O3)c1c[nH]nc1[N+](=O)[O-] ZINC000549186664 517444714 /nfs/dbraw/zinc/44/47/14/517444714.db2.gz NMJLGWPVUGIQLF-UHFFFAOYSA-N -1 3 369.265 2.501 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc([C@@H]3C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000515707154 517451889 /nfs/dbraw/zinc/45/18/89/517451889.db2.gz KOJQFKSRRONQOI-ZWNOBZJWSA-N -1 3 366.395 2.798 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOc1ccc(Cl)cc1 ZINC000515732728 517459886 /nfs/dbraw/zinc/45/98/86/517459886.db2.gz JQNHSHAKVYFCLW-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000522754243 518158994 /nfs/dbraw/zinc/15/89/94/518158994.db2.gz UESWQUJVEJWBBE-UHFFFAOYSA-N -1 3 370.427 2.528 20 5 FFBDHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000572969131 518444740 /nfs/dbraw/zinc/44/47/40/518444740.db2.gz LCKMPNZOURWXRO-SJKOYZFVSA-N -1 3 362.407 2.579 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2noc3ccccc23)cc1[N+](=O)[O-] ZINC000576258929 518506752 /nfs/dbraw/zinc/50/67/52/518506752.db2.gz PSVYGKUAOGCIIK-UHFFFAOYSA-N -1 3 353.381 2.584 20 5 FFBDHM C[C@@H]1CN(CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000567981375 518811839 /nfs/dbraw/zinc/81/18/39/518811839.db2.gz HLYVPXRUPOXDAT-CHWSQXEVSA-N -1 3 351.403 2.594 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000565560765 519017764 /nfs/dbraw/zinc/01/77/64/519017764.db2.gz IZKJOCWSHUSIQX-OAHLLOKOSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c1[N+](=O)[O-] ZINC000577889356 519309628 /nfs/dbraw/zinc/30/96/28/519309628.db2.gz AQQRXNJABZGDRQ-AWEZNQCLSA-N -1 3 368.455 2.839 20 5 FFBDHM O=C(COc1cc(F)cc(F)c1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000566326879 519434747 /nfs/dbraw/zinc/43/47/47/519434747.db2.gz ITRQRVQYZQYHDF-UHFFFAOYSA-N -1 3 374.303 2.703 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594491092 520000349 /nfs/dbraw/zinc/00/03/49/520000349.db2.gz NAXIINYEEMUPBZ-ZDUSSCGKSA-N -1 3 354.428 2.673 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000594757684 520138360 /nfs/dbraw/zinc/13/83/60/520138360.db2.gz OXOASZVMUPZOKH-UHFFFAOYSA-N -1 3 363.317 2.764 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000594766546 520144067 /nfs/dbraw/zinc/14/40/67/520144067.db2.gz MVDMTXWXPGYUEU-UHFFFAOYSA-N -1 3 371.365 2.999 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2cccc([N+](=O)[O-])c2C)[nH][n-]1 ZINC000609201429 520230601 /nfs/dbraw/zinc/23/06/01/520230601.db2.gz IVJOWSIKBZLCJR-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM Cc1cn(-c2ccccc2)nc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000609311382 520271622 /nfs/dbraw/zinc/27/16/22/520271622.db2.gz SCJYVDKCRANDDQ-UHFFFAOYSA-N -1 3 362.349 2.639 20 5 FFBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609420558 520306668 /nfs/dbraw/zinc/30/66/68/520306668.db2.gz QWMFJXOYOANTMM-MRVPVSSYSA-N -1 3 351.222 2.824 20 5 FFBDHM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609543418 520351182 /nfs/dbraw/zinc/35/11/82/520351182.db2.gz INDFLFZIFQPCHV-QFYYESIMSA-N -1 3 350.371 2.946 20 5 FFBDHM COc1ccc(-c2nc([N-]C(=O)c3ccccc3[N+](=O)[O-])n[nH]2)cc1OC ZINC000609603868 520375464 /nfs/dbraw/zinc/37/54/64/520375464.db2.gz DIWNDKRKNVIGNC-UHFFFAOYSA-N -1 3 369.337 2.649 20 5 FFBDHM CCCOc1cncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000600670035 520386556 /nfs/dbraw/zinc/38/65/56/520386556.db2.gz JEYGMOHWLGDTBU-UHFFFAOYSA-N -1 3 365.411 2.763 20 5 FFBDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000617339743 520438912 /nfs/dbraw/zinc/43/89/12/520438912.db2.gz SDCKNTAUXLZTKO-HNNXBMFYSA-N -1 3 360.366 2.918 20 5 FFBDHM COc1ccc([O-])c(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000610052199 520516827 /nfs/dbraw/zinc/51/68/27/520516827.db2.gz FNWSGWOITINGFI-UHFFFAOYSA-N -1 3 359.382 2.849 20 5 FFBDHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000610590891 520754514 /nfs/dbraw/zinc/75/45/14/520754514.db2.gz GTTGLCSVDNYPDI-UHFFFAOYSA-N -1 3 352.416 2.655 20 5 FFBDHM Cc1nc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000610651160 520780272 /nfs/dbraw/zinc/78/02/72/520780272.db2.gz UXUYLUIUKZVKIP-UHFFFAOYSA-N -1 3 357.757 2.812 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000610711882 520808378 /nfs/dbraw/zinc/80/83/78/520808378.db2.gz XSEIXYDYVZXKOM-GFCCVEGCSA-N -1 3 368.798 2.969 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000610715750 520810118 /nfs/dbraw/zinc/81/01/18/520810118.db2.gz CQFWAWBCYLLCQJ-CQSZACIVSA-N -1 3 360.407 2.608 20 5 FFBDHM CCCc1nccnc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000598878082 520897677 /nfs/dbraw/zinc/89/76/77/520897677.db2.gz OBWCSKBCESZGDI-UHFFFAOYSA-N -1 3 371.216 2.836 20 5 FFBDHM O=c1[n-]ccc(NC[C@H](CO)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000596166230 520946595 /nfs/dbraw/zinc/94/65/95/520946595.db2.gz RYPHPCNHOYFKGA-SNVBAGLBSA-N -1 3 371.315 2.977 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H]2CSCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596209488 520972275 /nfs/dbraw/zinc/97/22/75/520972275.db2.gz FTPPQHSNKYVEQU-CQSZACIVSA-N -1 3 360.439 2.725 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000593590094 521094666 /nfs/dbraw/zinc/09/46/66/521094666.db2.gz XXZMJAXAQNNMIU-TZMCWYRMSA-N -1 3 365.386 2.744 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000593624483 521114384 /nfs/dbraw/zinc/11/43/84/521114384.db2.gz ZSVYQMWJGDWEEE-DGCLKSJQSA-N -1 3 360.457 2.556 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)cc1C ZINC000593629345 521119746 /nfs/dbraw/zinc/11/97/46/521119746.db2.gz LYYJAJVHIDVKNL-KRWDZBQOSA-N -1 3 368.455 2.695 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)cc1C ZINC000593629346 521119900 /nfs/dbraw/zinc/11/99/00/521119900.db2.gz LYYJAJVHIDVKNL-QGZVFWFLSA-N -1 3 368.455 2.695 20 5 FFBDHM CC(C)C[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-] ZINC000596656022 521194730 /nfs/dbraw/zinc/19/47/30/521194730.db2.gz DQDAAJRVPFGAFR-LBPRGKRZSA-N -1 3 352.387 2.593 20 5 FFBDHM CCC([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000599395524 521195325 /nfs/dbraw/zinc/19/53/25/521195325.db2.gz FVYWKSRRFAOJSW-UHFFFAOYSA-N -1 3 372.418 2.990 20 5 FFBDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619481611 521591554 /nfs/dbraw/zinc/59/15/54/521591554.db2.gz LNBQCOYKYYHYFA-CQSZACIVSA-N -1 3 364.423 2.903 20 5 FFBDHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489817 521595088 /nfs/dbraw/zinc/59/50/88/521595088.db2.gz PDBQUQXOQKGOFP-WCQYABFASA-N -1 3 374.484 2.946 20 5 FFBDHM O=C(N=c1ccn(Cc2ccccc2)[nH]1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000520709770 562162016 /nfs/dbraw/zinc/16/20/16/562162016.db2.gz GAJLJANWVOZHBS-UHFFFAOYSA-N -1 3 362.349 2.968 20 5 FFBDHM O=C(N=c1ccn(Cc2ccccc2)[nH]1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000520709770 562162017 /nfs/dbraw/zinc/16/20/17/562162017.db2.gz GAJLJANWVOZHBS-UHFFFAOYSA-N -1 3 362.349 2.968 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCc2cc3ccccc3o2)c(-c2nnn[n-]2)c1 ZINC000738374154 598854534 /nfs/dbraw/zinc/85/45/34/598854534.db2.gz JXSGAVGUZTUGKG-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCc2cc3ccccc3o2)c(-c2nn[n-]n2)c1 ZINC000738374154 598854535 /nfs/dbraw/zinc/85/45/35/598854535.db2.gz JXSGAVGUZTUGKG-UHFFFAOYSA-N -1 3 351.326 2.571 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccccc2OCC2CC2)c(-c2nnn[n-]2)c1 ZINC000738374675 598855923 /nfs/dbraw/zinc/85/59/23/598855923.db2.gz RXXZUWBBLVVTPR-UHFFFAOYSA-N -1 3 367.369 2.571 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccccc2OCC2CC2)c(-c2nn[n-]n2)c1 ZINC000738374675 598855924 /nfs/dbraw/zinc/85/59/24/598855924.db2.gz RXXZUWBBLVVTPR-UHFFFAOYSA-N -1 3 367.369 2.571 20 5 FFBDHM CC(C)(C(=O)OCc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000735582297 598903613 /nfs/dbraw/zinc/90/36/13/598903613.db2.gz KKQXZIGVMVMUPO-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM CC(C)(C(=O)OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000735582297 598903615 /nfs/dbraw/zinc/90/36/15/598903615.db2.gz KKQXZIGVMVMUPO-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC000822351202 599036569 /nfs/dbraw/zinc/03/65/69/599036569.db2.gz LQVPTIFWKPTNJI-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC000822351202 599036572 /nfs/dbraw/zinc/03/65/72/599036572.db2.gz LQVPTIFWKPTNJI-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821854464 599044269 /nfs/dbraw/zinc/04/42/69/599044269.db2.gz KIQIKNZDYSUFHZ-ZDUSSCGKSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1ccc2c(c1)OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821854464 599044272 /nfs/dbraw/zinc/04/42/72/599044272.db2.gz KIQIKNZDYSUFHZ-ZDUSSCGKSA-N -1 3 368.353 2.719 20 5 FFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000820274066 599069125 /nfs/dbraw/zinc/06/91/25/599069125.db2.gz CVDXGYYUIMTRSD-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000820274066 599069128 /nfs/dbraw/zinc/06/91/28/599069128.db2.gz CVDXGYYUIMTRSD-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM COc1ccccc1O[C@@H](C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821904589 599077457 /nfs/dbraw/zinc/07/74/57/599077457.db2.gz XWKGRTVTJYXPPX-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccccc1O[C@@H](C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821904589 599077460 /nfs/dbraw/zinc/07/74/60/599077460.db2.gz XWKGRTVTJYXPPX-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735660580 599183819 /nfs/dbraw/zinc/18/38/19/599183819.db2.gz MYTXMKNDNSVAQP-UHFFFAOYSA-N -1 3 369.385 2.513 20 5 FFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735660580 599183821 /nfs/dbraw/zinc/18/38/21/599183821.db2.gz MYTXMKNDNSVAQP-UHFFFAOYSA-N -1 3 369.385 2.513 20 5 FFBDHM COc1ccc(CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000821794270 607344966 /nfs/dbraw/zinc/34/49/66/607344966.db2.gz FEGRNWGSUGFUFU-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732811 598311372 /nfs/dbraw/zinc/31/13/72/598311372.db2.gz OHTOTZQGAMXUIN-RUDMXATFSA-N -1 3 368.328 2.590 20 5 FFBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732811 598311375 /nfs/dbraw/zinc/31/13/75/598311375.db2.gz OHTOTZQGAMXUIN-RUDMXATFSA-N -1 3 368.328 2.590 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000736157269 598483101 /nfs/dbraw/zinc/48/31/01/598483101.db2.gz JMWXSMWWQIJZPI-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000736157269 598483103 /nfs/dbraw/zinc/48/31/03/598483103.db2.gz JMWXSMWWQIJZPI-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H]1c2ccccc2OCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736303962 598669134 /nfs/dbraw/zinc/66/91/34/598669134.db2.gz MEONAGOYFAWFOL-LLVKDONJSA-N -1 3 352.354 2.735 20 5 FFBDHM C[C@@H]1c2ccccc2OCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736303962 598669136 /nfs/dbraw/zinc/66/91/36/598669136.db2.gz MEONAGOYFAWFOL-LLVKDONJSA-N -1 3 352.354 2.735 20 5 FFBDHM COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000737091726 598673287 /nfs/dbraw/zinc/67/32/87/598673287.db2.gz XYKOQWAWGATFMP-UHFFFAOYSA-N -1 3 354.370 2.728 20 5 FFBDHM COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1C ZINC000737091726 598673289 /nfs/dbraw/zinc/67/32/89/598673289.db2.gz XYKOQWAWGATFMP-UHFFFAOYSA-N -1 3 354.370 2.728 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCc3ccccc3N2)c(-c2nnn[n-]2)c1 ZINC000738369569 598810491 /nfs/dbraw/zinc/81/04/91/598810491.db2.gz IYGFOIVVQGCVLW-GFCCVEGCSA-N -1 3 351.370 2.614 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@H]2CCc3ccccc3N2)c(-c2nn[n-]n2)c1 ZINC000738369569 598810492 /nfs/dbraw/zinc/81/04/92/598810492.db2.gz IYGFOIVVQGCVLW-GFCCVEGCSA-N -1 3 351.370 2.614 20 5 FFBDHM Cc1sc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822552522 599506529 /nfs/dbraw/zinc/50/65/29/599506529.db2.gz BVVXFXLAWJSIJO-QMMMGPOBSA-N -1 3 358.383 2.636 20 5 FFBDHM Cc1sc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822552522 599506532 /nfs/dbraw/zinc/50/65/32/599506532.db2.gz BVVXFXLAWJSIJO-QMMMGPOBSA-N -1 3 358.383 2.636 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822212847 599526850 /nfs/dbraw/zinc/52/68/50/599526850.db2.gz JPPYCILYGPYXGG-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822212847 599526853 /nfs/dbraw/zinc/52/68/53/599526853.db2.gz JPPYCILYGPYXGG-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM O=C([O-])CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000739793220 599866373 /nfs/dbraw/zinc/86/63/73/599866373.db2.gz CQGVHRUYAKZAKN-UHFFFAOYSA-N -1 3 366.320 2.839 20 5 FFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825826002 607438799 /nfs/dbraw/zinc/43/87/99/607438799.db2.gz RHHZSIKPSHEBGQ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825826002 607438801 /nfs/dbraw/zinc/43/88/01/607438801.db2.gz RHHZSIKPSHEBGQ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832973067 601651878 /nfs/dbraw/zinc/65/18/78/601651878.db2.gz UZQCTMFEGQIMTF-SCLBCKFNSA-N -1 3 371.393 2.893 20 5 FFBDHM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409792 604949653 /nfs/dbraw/zinc/94/96/53/604949653.db2.gz RXRTTXYNMOXVMV-CHWSQXEVSA-N -1 3 363.414 2.745 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC3(C4CC4)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000826499484 607736825 /nfs/dbraw/zinc/73/68/25/607736825.db2.gz KFBSGPGYSTWAOJ-UHFFFAOYSA-N -1 3 351.370 2.925 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC3(C4CC4)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000826499484 607736826 /nfs/dbraw/zinc/73/68/26/607736826.db2.gz KFBSGPGYSTWAOJ-UHFFFAOYSA-N -1 3 351.370 2.925 20 5 FFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823417573 606151223 /nfs/dbraw/zinc/15/12/23/606151223.db2.gz DBLMKGXCEDGWGB-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823417573 606151224 /nfs/dbraw/zinc/15/12/24/606151224.db2.gz DBLMKGXCEDGWGB-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820642721 606231878 /nfs/dbraw/zinc/23/18/78/606231878.db2.gz LAHDJQJIYRINMX-RISCZKNCSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820642721 606231879 /nfs/dbraw/zinc/23/18/79/606231879.db2.gz LAHDJQJIYRINMX-RISCZKNCSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1[C@H](c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820642723 606232132 /nfs/dbraw/zinc/23/21/32/606232132.db2.gz LAHDJQJIYRINMX-SMDDNHRTSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1[C@H](c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820642723 606232134 /nfs/dbraw/zinc/23/21/34/606232134.db2.gz LAHDJQJIYRINMX-SMDDNHRTSA-N -1 3 351.370 2.552 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823344151 606271013 /nfs/dbraw/zinc/27/10/13/606271013.db2.gz RSXBVCRFNDRJJP-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823344151 606271015 /nfs/dbraw/zinc/27/10/15/606271015.db2.gz RSXBVCRFNDRJJP-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2F)c2ccc([N+](=O)[O-])cc12 ZINC000822501150 606984561 /nfs/dbraw/zinc/98/45/61/606984561.db2.gz YEDDHHUDTVWHNZ-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2F)c2ccc([N+](=O)[O-])cc12 ZINC000822501150 606984563 /nfs/dbraw/zinc/98/45/63/606984563.db2.gz YEDDHHUDTVWHNZ-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM Cc1cccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822289549 606989024 /nfs/dbraw/zinc/98/90/24/606989024.db2.gz ZDYDRHUIOVVSRT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822289549 606989025 /nfs/dbraw/zinc/98/90/25/606989025.db2.gz ZDYDRHUIOVVSRT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823472517 607193743 /nfs/dbraw/zinc/19/37/43/607193743.db2.gz PJAARIKHAKRZIL-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823472517 607193744 /nfs/dbraw/zinc/19/37/44/607193744.db2.gz PJAARIKHAKRZIL-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822983915 607241943 /nfs/dbraw/zinc/24/19/43/607241943.db2.gz XMWCZWFDFXKPGU-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822983915 607241944 /nfs/dbraw/zinc/24/19/44/607241944.db2.gz XMWCZWFDFXKPGU-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821846660 607242444 /nfs/dbraw/zinc/24/24/44/607242444.db2.gz XFPKJCHIYKMRMM-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821846660 607242445 /nfs/dbraw/zinc/24/24/45/607242445.db2.gz XFPKJCHIYKMRMM-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000823319329 607242817 /nfs/dbraw/zinc/24/28/17/607242817.db2.gz SFOBHSBUECDWRR-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000823319329 607242818 /nfs/dbraw/zinc/24/28/18/607242818.db2.gz SFOBHSBUECDWRR-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM CSc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826230089 607789210 /nfs/dbraw/zinc/78/92/10/607789210.db2.gz CZUAKHXRPUTJIU-UHFFFAOYSA-N -1 3 370.394 2.773 20 5 FFBDHM CSc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826230089 607789211 /nfs/dbraw/zinc/78/92/11/607789211.db2.gz CZUAKHXRPUTJIU-UHFFFAOYSA-N -1 3 370.394 2.773 20 5 FFBDHM Cc1ccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826291466 607863628 /nfs/dbraw/zinc/86/36/28/607863628.db2.gz HWBQWNQMUQNFRY-UHFFFAOYSA-N -1 3 353.338 2.622 20 5 FFBDHM Cc1ccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826291466 607863629 /nfs/dbraw/zinc/86/36/29/607863629.db2.gz HWBQWNQMUQNFRY-UHFFFAOYSA-N -1 3 353.338 2.622 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826304817 608008929 /nfs/dbraw/zinc/00/89/29/608008929.db2.gz ZPXKBGKIMPDVFO-UHFFFAOYSA-N -1 3 353.338 2.622 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826304817 608008930 /nfs/dbraw/zinc/00/89/30/608008930.db2.gz ZPXKBGKIMPDVFO-UHFFFAOYSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](CCO)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824406722 608240450 /nfs/dbraw/zinc/24/04/50/608240450.db2.gz QTARXDYQAIIJMW-ZDUSSCGKSA-N -1 3 368.397 2.552 20 5 FFBDHM C[C@@H](CCO)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824406722 608240451 /nfs/dbraw/zinc/24/04/51/608240451.db2.gz QTARXDYQAIIJMW-ZDUSSCGKSA-N -1 3 368.397 2.552 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(F)c(-c4nnn[n-]4)c3)c2)c1 ZINC000826499533 609314103 /nfs/dbraw/zinc/31/41/03/609314103.db2.gz MMJJEWSVAAPREW-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3ccc(F)c(-c4nn[n-]n4)c3)c2)c1 ZINC000826499533 609314105 /nfs/dbraw/zinc/31/41/05/609314105.db2.gz MMJJEWSVAAPREW-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826465943 609340534 /nfs/dbraw/zinc/34/05/34/609340534.db2.gz JKFXABIJCHZLBZ-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826465943 609340535 /nfs/dbraw/zinc/34/05/35/609340535.db2.gz JKFXABIJCHZLBZ-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC000824670584 609437035 /nfs/dbraw/zinc/43/70/35/609437035.db2.gz RUPXGPSWLDYUSK-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000824670584 609437038 /nfs/dbraw/zinc/43/70/38/609437038.db2.gz RUPXGPSWLDYUSK-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000824338174 609587377 /nfs/dbraw/zinc/58/73/77/609587377.db2.gz ROGPGZSJGPTHMJ-CYBMUJFWSA-N -1 3 362.390 2.553 20 5 FFBDHM CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824338174 609587380 /nfs/dbraw/zinc/58/73/80/609587380.db2.gz ROGPGZSJGPTHMJ-CYBMUJFWSA-N -1 3 362.390 2.553 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826423997 609619255 /nfs/dbraw/zinc/61/92/55/609619255.db2.gz QXYKHZCUHODVFY-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826423997 609619257 /nfs/dbraw/zinc/61/92/57/609619257.db2.gz QXYKHZCUHODVFY-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000746331320 735477596 /nfs/dbraw/zinc/47/75/96/735477596.db2.gz SZYNWNXSZNWEKA-UHFFFAOYSA-N -1 3 352.144 2.897 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccnc(Cl)c1F ZINC000133884802 728728054 /nfs/dbraw/zinc/72/80/54/728728054.db2.gz VDCHVCDHKHDSMG-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000193980956 729496089 /nfs/dbraw/zinc/49/60/89/729496089.db2.gz QCBFIJHNTYYHPN-NSHDSACASA-N -1 3 352.799 2.866 20 5 FFBDHM CN(C)C(=O)Sc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000733365280 734814310 /nfs/dbraw/zinc/81/43/10/734814310.db2.gz YBIUWRGYDMHLGS-UHFFFAOYSA-N -1 3 362.367 2.721 20 5 FFBDHM COc1c([O-])ccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c1[N+](=O)[O-] ZINC000895219066 734975273 /nfs/dbraw/zinc/97/52/73/734975273.db2.gz QGIQUHAXLBHCBT-ZYHUDNBSSA-N -1 3 364.320 2.899 20 5 FFBDHM COc1c([O-])ccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1[N+](=O)[O-] ZINC000895219059 734975422 /nfs/dbraw/zinc/97/54/22/734975422.db2.gz QGIQUHAXLBHCBT-CMPLNLGQSA-N -1 3 364.320 2.899 20 5 FFBDHM COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc(OC)c1[O-] ZINC000754260806 736140872 /nfs/dbraw/zinc/14/08/72/736140872.db2.gz MLZOWEGIIKEZNR-UHFFFAOYSA-N -1 3 351.286 2.814 20 5 FFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc([N+](=O)[O-])c1 ZINC000916044727 737674932 /nfs/dbraw/zinc/67/49/32/737674932.db2.gz MGQBMTLNOFXHEW-UHFFFAOYSA-N -1 3 365.323 2.978 20 5 FFBDHM COc1cc(C=Cc2nccc(=O)[n-]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000778518949 738390395 /nfs/dbraw/zinc/39/03/95/738390395.db2.gz JRSKBDHNRREAML-IHWYPQMZSA-N -1 3 353.281 2.913 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000794383172 739885171 /nfs/dbraw/zinc/88/51/71/739885171.db2.gz SCCJHAZJLQRPDE-LLVKDONJSA-N -1 3 360.164 2.937 20 5 FFBDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000794383172 739885177 /nfs/dbraw/zinc/88/51/77/739885177.db2.gz SCCJHAZJLQRPDE-LLVKDONJSA-N -1 3 360.164 2.937 20 5 FFBDHM C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824898357 743174841 /nfs/dbraw/zinc/17/48/41/743174841.db2.gz FDWBWUVDGAIXEA-HTQZYQBOSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@@H]1CC[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC000824898357 743174845 /nfs/dbraw/zinc/17/48/45/743174845.db2.gz FDWBWUVDGAIXEA-HTQZYQBOSA-N -1 3 350.766 2.803 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc3c(s2)COCC3)c1F ZINC000825753600 743322823 /nfs/dbraw/zinc/32/28/23/743322823.db2.gz RQLRRAMCCFGAIE-UHFFFAOYSA-N -1 3 355.322 2.963 20 5 FFBDHM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC=CC1 ZINC000848467789 748934823 /nfs/dbraw/zinc/93/48/23/748934823.db2.gz FICJTSFXXUEZIJ-UHFFFAOYSA-N -1 3 361.217 2.744 20 5 FFBDHM O=C([N-]CCCOCC(F)(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848579984 748965001 /nfs/dbraw/zinc/96/50/01/748965001.db2.gz DSTIPFMSFQYFMV-UHFFFAOYSA-N -1 3 372.246 2.652 20 5 FFBDHM CCCCCCNC(=O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853244438 750037309 /nfs/dbraw/zinc/03/73/09/750037309.db2.gz MLIAZEDXALPWFL-ZDUSSCGKSA-N -1 3 350.419 2.608 20 5 FFBDHM CCc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821475939 945704653 /nfs/dbraw/zinc/70/46/53/945704653.db2.gz DRHUYIJMARSXSK-NSHDSACASA-N -1 3 366.381 2.828 20 5 FFBDHM CCc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821475939 945704663 /nfs/dbraw/zinc/70/46/63/945704663.db2.gz DRHUYIJMARSXSK-NSHDSACASA-N -1 3 366.381 2.828 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)cc1[N+](=O)[O-] ZINC000821476529 945705405 /nfs/dbraw/zinc/70/54/05/945705405.db2.gz PDOAKCOOTLDNDP-UHFFFAOYSA-N -1 3 368.353 2.598 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cc1[N+](=O)[O-] ZINC000821476529 945705409 /nfs/dbraw/zinc/70/54/09/945705409.db2.gz PDOAKCOOTLDNDP-UHFFFAOYSA-N -1 3 368.353 2.598 20 5 FFBDHM C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824385444 946675808 /nfs/dbraw/zinc/67/58/08/946675808.db2.gz TWZNDPIEGOLTKC-LLVKDONJSA-N -1 3 367.369 2.604 20 5 FFBDHM C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824385444 946675819 /nfs/dbraw/zinc/67/58/19/946675819.db2.gz TWZNDPIEGOLTKC-LLVKDONJSA-N -1 3 367.369 2.604 20 5 FFBDHM O=[N+]([O-])c1cccc2c1ccn2CCOc1ccccc1-c1nnn[n-]1 ZINC000826500070 948415663 /nfs/dbraw/zinc/41/56/63/948415663.db2.gz JZVXGNVKNZOYDK-UHFFFAOYSA-N -1 3 350.338 2.809 20 5 FFBDHM O=[N+]([O-])c1cccc2c1ccn2CCOc1ccccc1-c1nn[n-]n1 ZINC000826500070 948415666 /nfs/dbraw/zinc/41/56/66/948415666.db2.gz JZVXGNVKNZOYDK-UHFFFAOYSA-N -1 3 350.338 2.809 20 5 FFBDHM COc1c([O-])ccc(CN2CCn3c(cnc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000896932542 973048671 /nfs/dbraw/zinc/04/86/71/973048671.db2.gz YIJIYFZWTRKIOY-UHFFFAOYSA-N -1 3 372.303 2.540 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000910342892 981908321 /nfs/dbraw/zinc/90/83/21/981908321.db2.gz CCFGGZUXSVVZBO-HNNXBMFYSA-N -1 3 370.409 2.707 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccco2)[n-]n1 ZINC000913295555 984234763 /nfs/dbraw/zinc/23/47/63/984234763.db2.gz IBFYAEMNCSAKNN-UHFFFAOYSA-N -1 3 371.305 2.801 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(-c2ccco2)n[n-]1 ZINC000913295555 984234765 /nfs/dbraw/zinc/23/47/65/984234765.db2.gz IBFYAEMNCSAKNN-UHFFFAOYSA-N -1 3 371.305 2.801 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001596811531 985364290 /nfs/dbraw/zinc/36/42/90/985364290.db2.gz VUSHGPNGLBPRKQ-JKSUJKDBSA-N -1 3 366.414 2.694 20 5 FFBDHM CCO[C@@H]1C[C@](NCc2cc(Cl)ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596838864 985511786 /nfs/dbraw/zinc/51/17/86/985511786.db2.gz PLXPPEQIJGCQFD-CJNGLKHVSA-N -1 3 356.806 2.996 20 5 FFBDHM COC(=O)Nc1cccc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000796489074 1015409625 /nfs/dbraw/zinc/40/96/25/1015409625.db2.gz AEHNIZPUBSWHTQ-UHFFFAOYSA-N -1 3 361.354 2.777 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(F)c(Br)c2F)n1 ZINC001131387859 994192773 /nfs/dbraw/zinc/19/27/73/994192773.db2.gz GRTXXELTPMHKTI-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM O=C(Nc1ccc(Br)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001146588044 1000698524 /nfs/dbraw/zinc/69/85/24/1000698524.db2.gz FUKYBSAMGCFBPZ-UHFFFAOYSA-N -1 3 356.107 2.849 20 5 FFBDHM COC(=O)C=Cc1ccc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC000775541965 1004238285 /nfs/dbraw/zinc/23/82/85/1004238285.db2.gz IOHIBBSIUZPWEZ-HWKANZROSA-N -1 3 371.275 2.530 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c1[N+](=O)[O-] ZINC001194614730 1004782986 /nfs/dbraw/zinc/78/29/86/1004782986.db2.gz XJQMDWHTMBQXLX-VHSXEESVSA-N -1 3 352.334 2.688 20 5 FFBDHM CC(=O)N1CCC(n2nc(C)cc2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001199828715 1005034525 /nfs/dbraw/zinc/03/45/25/1005034525.db2.gz QGGJJUYOQNKZIN-UHFFFAOYSA-N -1 3 359.386 2.732 20 5 FFBDHM NC(=O)c1ccc(Br)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201229797 1005180886 /nfs/dbraw/zinc/18/08/86/1005180886.db2.gz SSAQDHRCEGRWIF-UHFFFAOYSA-N -1 3 352.144 2.905 20 5 FFBDHM CC(C)(C)OC(=O)N1CC2(C1)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000853716616 1006513942 /nfs/dbraw/zinc/51/39/42/1006513942.db2.gz QWHLULTZHAOLMF-UHFFFAOYSA-N -1 3 364.402 2.533 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)c([N+](=O)[O-])s1 ZINC001188837762 1006738077 /nfs/dbraw/zinc/73/80/77/1006738077.db2.gz JJVDDVYRYQSWNH-MRVPVSSYSA-N -1 3 374.465 2.966 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c(F)cc1[N+](=O)[O-] ZINC001190504171 1007662944 /nfs/dbraw/zinc/66/29/44/1007662944.db2.gz KRWORQUFTUXJPH-GFCCVEGCSA-N -1 3 372.418 2.670 20 5 FFBDHM O=C([N-]Cc1ncn(-c2ccccc2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000819185555 1008060870 /nfs/dbraw/zinc/06/08/70/1008060870.db2.gz ANSDBNJFJHIFFV-UHFFFAOYSA-N -1 3 373.319 2.584 20 5 FFBDHM COc1cc(CNc2ccc([C@H](C)CC(N)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC001179666355 1009409438 /nfs/dbraw/zinc/40/94/38/1009409438.db2.gz QFJNQCHYVJWOJD-LLVKDONJSA-N -1 3 359.382 2.900 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3cc(C(F)(F)F)ccn3)no2)cc1[N+](=O)[O-] ZINC001212843821 1009540915 /nfs/dbraw/zinc/54/09/15/1009540915.db2.gz DOPSQNATDFVHQF-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM COc1c(F)cc(F)cc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212844517 1009559110 /nfs/dbraw/zinc/55/91/10/1009559110.db2.gz YDEBSMSZOSLVNL-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000778794809 1022378277 /nfs/dbraw/zinc/37/82/77/1022378277.db2.gz AZHJPMKEFOIXFF-JTQLQIEISA-N -1 3 354.318 2.705 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3cc(C)c([N+](=O)[O-])cc3F)C2)n1 ZINC001164131121 1029180982 /nfs/dbraw/zinc/18/09/82/1029180982.db2.gz IYWHMAWECGATCM-GFCCVEGCSA-N -1 3 361.377 2.927 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC000782013750 1029523014 /nfs/dbraw/zinc/52/30/14/1029523014.db2.gz JHWNTLANORGKKS-UHFFFAOYSA-N -1 3 363.301 2.597 20 5 FFBDHM CCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC001149782187 1031590296 /nfs/dbraw/zinc/59/02/96/1031590296.db2.gz TWZJVWUZTACDJJ-UHFFFAOYSA-N -1 3 372.381 2.687 20 5 FFBDHM CCc1ccc([O-])c(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC001115930117 1032020564 /nfs/dbraw/zinc/02/05/64/1032020564.db2.gz SUOFJOBRAGYTOT-UHFFFAOYSA-N -1 3 369.421 2.821 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001225663663 1034357503 /nfs/dbraw/zinc/35/75/03/1034357503.db2.gz FIUZJRAMXUKAIK-CQSZACIVSA-N -1 3 365.336 2.984 20 5 FFBDHM COc1cc(OC2CCOCC2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227646312 1035653578 /nfs/dbraw/zinc/65/35/78/1035653578.db2.gz QGBYJVYLZIDDOJ-UHFFFAOYSA-N -1 3 358.346 2.924 20 5 FFBDHM O=C(Nc1cc([O-])cc(Br)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001140711499 1035962951 /nfs/dbraw/zinc/96/29/51/1035962951.db2.gz QQBWBPHDRDTBFX-UHFFFAOYSA-N -1 3 361.539 2.692 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229101120 1036497669 /nfs/dbraw/zinc/49/76/69/1036497669.db2.gz ZGSLJOCXWSAZFB-SSDOTTSWSA-N -1 3 372.175 2.741 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)n1 ZINC000836854810 1036892388 /nfs/dbraw/zinc/89/23/88/1036892388.db2.gz XKXSZAOTOQSHFQ-UHFFFAOYSA-N -1 3 362.346 2.792 20 5 FFBDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229952319 1036996525 /nfs/dbraw/zinc/99/65/25/1036996525.db2.gz AOKXOZPMCMDPSP-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229952319 1036996537 /nfs/dbraw/zinc/99/65/37/1036996537.db2.gz AOKXOZPMCMDPSP-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001209947408 1039302580 /nfs/dbraw/zinc/30/25/80/1039302580.db2.gz OWDHFAVZENZIIN-UHFFFAOYSA-N -1 3 350.462 2.574 20 5 FFBDHM Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)sc1C ZINC001210702678 1039682502 /nfs/dbraw/zinc/68/25/02/1039682502.db2.gz XWMVNVWVIBBYON-UHFFFAOYSA-N -1 3 373.431 2.637 20 5 FFBDHM O=C([N-]c1c(Cl)cncc1Cl)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001265891541 1042884095 /nfs/dbraw/zinc/88/40/95/1042884095.db2.gz SSOJCRPNFBLTBR-UHFFFAOYSA-N -1 3 370.148 2.742 20 5 FFBDHM Cc1ccc2sc(C[N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC001309766842 1043515175 /nfs/dbraw/zinc/51/51/75/1043515175.db2.gz DOWPGMVVWRLYMD-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM CCC(O)(CC)C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001309786590 1043527101 /nfs/dbraw/zinc/52/71/01/1043527101.db2.gz RAGJNWHVSHKNIK-UHFFFAOYSA-N -1 3 364.851 2.856 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CC2)c([N+](=O)[O-])s1 ZINC001309884527 1043571639 /nfs/dbraw/zinc/57/16/39/1043571639.db2.gz XOCVNNYGIMIRMG-CYBMUJFWSA-N -1 3 353.425 2.789 20 5 FFBDHM O=C([N-]c1nnc2ccc(Cl)nn21)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001317946698 1045177271 /nfs/dbraw/zinc/17/72/71/1045177271.db2.gz WAEBHABIJKIMMA-UHFFFAOYSA-N -1 3 353.125 2.592 20 5 FFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC001322762496 1046215212 /nfs/dbraw/zinc/21/52/12/1046215212.db2.gz POGREENBUDUWKA-UHFFFAOYSA-N -1 3 374.781 2.766 20 5 FFBDHM CC(C)Oc1cc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001303521631 1051372035 /nfs/dbraw/zinc/37/20/35/1051372035.db2.gz QCVOAKHDYDYTKT-UHFFFAOYSA-N -1 3 372.381 2.685 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c(F)cc1[N+](=O)[O-] ZINC001309361347 1052605338 /nfs/dbraw/zinc/60/53/38/1052605338.db2.gz OHQMMYICIJXKEA-MRXNPFEDSA-N -1 3 365.386 2.867 20 5 FFBDHM CCO[N-]C(=O)CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001349568644 1055343182 /nfs/dbraw/zinc/34/31/82/1055343182.db2.gz JOVLFKHWFGKKBN-UHFFFAOYSA-N -1 3 353.762 2.666 20 5 FFBDHM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001544764996 1071689162 /nfs/dbraw/zinc/68/91/62/1071689162.db2.gz FQIBUTSYLMVGIB-UHFFFAOYSA-N -1 3 372.381 2.866 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001445891357 1058453255 /nfs/dbraw/zinc/45/32/55/1058453255.db2.gz MGKRITPSJCQAGD-UHFFFAOYSA-N -1 3 374.303 2.694 20 5 FFBDHM COc1cc(OCC(=O)Nc2cccc(C(C)=O)c2[O-])ccc1[N+](=O)[O-] ZINC001450610879 1059035129 /nfs/dbraw/zinc/03/51/29/1059035129.db2.gz UMIJSXOFGZMLHX-UHFFFAOYSA-N -1 3 360.322 2.529 20 5 FFBDHM COc1cc(C(=O)[N-]c2cc3oc(=O)[nH]c3cc2F)c([N+](=O)[O-])cc1F ZINC001453139750 1059338856 /nfs/dbraw/zinc/33/88/56/1059338856.db2.gz ZWEWUPONLFPYLM-UHFFFAOYSA-N -1 3 365.248 2.981 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CC2)c(F)c1 ZINC001464605261 1062712177 /nfs/dbraw/zinc/71/21/77/1062712177.db2.gz DAESYSLXTQGRIP-OAHLLOKOSA-N -1 3 351.359 2.559 20 5 FFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001469714166 1064198270 /nfs/dbraw/zinc/19/82/70/1064198270.db2.gz GCYNKXPLVXPJGS-JTQLQIEISA-N -1 3 364.789 2.626 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471677600 1064755886 /nfs/dbraw/zinc/75/58/86/1064755886.db2.gz RTDVQJVZQRPQMI-UHFFFAOYSA-N -1 3 354.366 2.741 20 5 FFBDHM CCc1ccc(C(=O)Nc2[n-]nc3cc(C)n(CC)c(=O)c32)cc1[N+](=O)[O-] ZINC001472584702 1065102978 /nfs/dbraw/zinc/10/29/78/1065102978.db2.gz AIHBIMSDFXMZFB-UHFFFAOYSA-N -1 3 369.381 2.776 20 5 FFBDHM COC(=O)C=Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001472878448 1065165661 /nfs/dbraw/zinc/16/56/61/1065165661.db2.gz OLBMBWUACSXALW-XVNBXDOJSA-N -1 3 370.365 2.766 20 5 FFBDHM Cc1nn(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c2ncc([N+](=O)[O-])cc12 ZINC001472996343 1065181244 /nfs/dbraw/zinc/18/12/44/1065181244.db2.gz WNVPJXOVWZNJPU-UHFFFAOYSA-N -1 3 362.349 2.859 20 5 FFBDHM COc1c([O-])ccc(CNc2ccccc2[C@H]2CCC(=O)N2)c1[N+](=O)[O-] ZINC001474690241 1065581117 /nfs/dbraw/zinc/58/11/17/1065581117.db2.gz QCJVVZMDXNFLAZ-CQSZACIVSA-N -1 3 357.366 2.872 20 5 FFBDHM CCSc1cc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])ccn1 ZINC001578417648 1078471946 /nfs/dbraw/zinc/47/19/46/1078471946.db2.gz SHBYOURQZXYNNA-UHFFFAOYSA-N -1 3 357.399 2.894 20 5 FFBDHM CCSc1cc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])ccn1 ZINC001578417648 1078471949 /nfs/dbraw/zinc/47/19/49/1078471949.db2.gz SHBYOURQZXYNNA-UHFFFAOYSA-N -1 3 357.399 2.894 20 5 FFBDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001579063766 1078566940 /nfs/dbraw/zinc/56/69/40/1078566940.db2.gz KZJIUBIDLAYHFX-OAHLLOKOSA-N -1 3 374.788 2.598 20 5 FFBDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001579063766 1078566947 /nfs/dbraw/zinc/56/69/47/1078566947.db2.gz KZJIUBIDLAYHFX-OAHLLOKOSA-N -1 3 374.788 2.598 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001580935407 1078896754 /nfs/dbraw/zinc/89/67/54/1078896754.db2.gz KIYABHHWNJXWHS-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001580935407 1078896765 /nfs/dbraw/zinc/89/67/65/1078896765.db2.gz KIYABHHWNJXWHS-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(NCCc2nc3c(s2)CCC3)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581029921 1078909038 /nfs/dbraw/zinc/90/90/38/1078909038.db2.gz DTXSKXQMNKIVOP-UHFFFAOYSA-N -1 3 371.426 2.683 20 5 FFBDHM Cc1cc(NCCc2nc3c(s2)CCC3)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581029921 1078909051 /nfs/dbraw/zinc/90/90/51/1078909051.db2.gz DTXSKXQMNKIVOP-UHFFFAOYSA-N -1 3 371.426 2.683 20 5 FFBDHM Cc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001581197777 1078934660 /nfs/dbraw/zinc/93/46/60/1078934660.db2.gz PFIKIAQROFQSMZ-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001581197777 1078934670 /nfs/dbraw/zinc/93/46/70/1078934670.db2.gz PFIKIAQROFQSMZ-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCSc1ccccn1 ZINC001582804050 1079110691 /nfs/dbraw/zinc/11/06/91/1079110691.db2.gz GWAOGBUEUCQZEN-UHFFFAOYSA-N -1 3 357.399 2.764 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCSc1ccccn1 ZINC001582804050 1079110693 /nfs/dbraw/zinc/11/06/93/1079110693.db2.gz GWAOGBUEUCQZEN-UHFFFAOYSA-N -1 3 357.399 2.764 20 5 FFBDHM Cc1nc(C)c(CC(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001585125561 1079428960 /nfs/dbraw/zinc/42/89/60/1079428960.db2.gz MZYQVJIAGUBPBW-UHFFFAOYSA-N -1 3 356.382 2.619 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589155307 1080387982 /nfs/dbraw/zinc/38/79/82/1080387982.db2.gz ARCAACWAURUKDF-UHFFFAOYSA-N -1 3 369.378 2.738 20 5 FFBDHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001589504741 1080570766 /nfs/dbraw/zinc/57/07/66/1080570766.db2.gz YYRRFZDPZWVEDR-IUCAKERBSA-N -1 3 350.766 2.659 20 5 FFBDHM CC(C)[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001589504741 1080570772 /nfs/dbraw/zinc/57/07/72/1080570772.db2.gz YYRRFZDPZWVEDR-IUCAKERBSA-N -1 3 350.766 2.659 20 5 FFBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589521140 1080580113 /nfs/dbraw/zinc/58/01/13/1080580113.db2.gz PRCRSUWQRFSGML-MEBBXXQBSA-N -1 3 364.381 2.777 20 5 FFBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589521140 1080580118 /nfs/dbraw/zinc/58/01/18/1080580118.db2.gz PRCRSUWQRFSGML-MEBBXXQBSA-N -1 3 364.381 2.777 20 5 FFBDHM CC(C)CCOC1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589606947 1080632571 /nfs/dbraw/zinc/63/25/71/1080632571.db2.gz LRYZYVIQPLGVRS-UHFFFAOYSA-N -1 3 360.418 2.806 20 5 FFBDHM CC(C)CCOC1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589606947 1080632573 /nfs/dbraw/zinc/63/25/73/1080632573.db2.gz LRYZYVIQPLGVRS-UHFFFAOYSA-N -1 3 360.418 2.806 20 5 FFBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC001589626209 1080640437 /nfs/dbraw/zinc/64/04/37/1080640437.db2.gz PFZCZABZEFEVEQ-UHFFFAOYSA-N -1 3 353.386 2.833 20 5 FFBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC001589626209 1080640445 /nfs/dbraw/zinc/64/04/45/1080640445.db2.gz PFZCZABZEFEVEQ-UHFFFAOYSA-N -1 3 353.386 2.833 20 5 FFBDHM CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001589736525 1080693532 /nfs/dbraw/zinc/69/35/32/1080693532.db2.gz XKWZAZDQVIARBW-VIFPVBQESA-N -1 3 362.329 2.542 20 5 FFBDHM C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589935882 1080879409 /nfs/dbraw/zinc/87/94/09/1080879409.db2.gz ANPLUUKHIWRMKB-JTQLQIEISA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589935882 1080879411 /nfs/dbraw/zinc/87/94/11/1080879411.db2.gz ANPLUUKHIWRMKB-JTQLQIEISA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589966700 1080908657 /nfs/dbraw/zinc/90/86/57/1080908657.db2.gz CAEVDDFTJJXVNL-JTQLQIEISA-N -1 3 369.341 2.534 20 5 FFBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589966700 1080908660 /nfs/dbraw/zinc/90/86/60/1080908660.db2.gz CAEVDDFTJJXVNL-JTQLQIEISA-N -1 3 369.341 2.534 20 5 FFBDHM O=C([N-][C@@H]1CCCc2[nH]c(=O)ccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272568223 252069843 /nfs/dbraw/zinc/06/98/43/252069843.db2.gz QKHRIVNDHYTTRH-CQSZACIVSA-N -1 3 363.320 2.981 20 5 FFBDHM Cc1c(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000289513443 257285207 /nfs/dbraw/zinc/28/52/07/257285207.db2.gz RCOQFJPKHVKQJP-LBPRGKRZSA-N -1 3 359.348 2.794 20 5 FFBDHM O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000312707550 258115472 /nfs/dbraw/zinc/11/54/72/258115472.db2.gz SIYJHTMYANYJJE-INIZCTEOSA-N -1 3 369.421 2.942 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1ccccc1F ZINC000053671291 506426610 /nfs/dbraw/zinc/42/66/10/506426610.db2.gz CFGIEOWYAGOTFO-LLVKDONJSA-N -1 3 368.386 2.652 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCOc2ccc(F)cc21 ZINC000053694614 506433180 /nfs/dbraw/zinc/43/31/80/506433180.db2.gz ABNNBCYBQMFDTM-ZDUSSCGKSA-N -1 3 366.370 2.926 20 5 FFBDHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056098441 506933932 /nfs/dbraw/zinc/93/39/32/506933932.db2.gz POPHISIRFXLOJY-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM CCCNC(=O)c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000047119341 507268061 /nfs/dbraw/zinc/26/80/61/507268061.db2.gz HSTCXGKQZRLMSS-UHFFFAOYSA-N -1 3 367.365 2.863 20 5 FFBDHM O=C(c1ccccc1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000058773109 507463473 /nfs/dbraw/zinc/46/34/73/507463473.db2.gz VRDZPAWHOISLRE-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)c(F)c1 ZINC000069870027 507577610 /nfs/dbraw/zinc/57/76/10/507577610.db2.gz ZXYISKGQERZYGR-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cn1 ZINC000107705000 507864096 /nfs/dbraw/zinc/86/40/96/507864096.db2.gz SRMRYFJLYLJKKV-UHFFFAOYSA-N -1 3 365.411 2.566 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000092264005 508055818 /nfs/dbraw/zinc/05/58/18/508055818.db2.gz IFUGSOLXZULTKE-UHFFFAOYSA-N -1 3 369.830 2.899 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116361707 508503024 /nfs/dbraw/zinc/50/30/24/508503024.db2.gz JNQOBOCXFCYISM-BXKDBHETSA-N -1 3 354.334 2.707 20 5 FFBDHM O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000128424326 508590104 /nfs/dbraw/zinc/59/01/04/508590104.db2.gz PDWNESIBTXWFBB-AWEZNQCLSA-N -1 3 368.349 2.891 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(C(C)C)cs2)c([N+](=O)[O-])c1 ZINC000154060292 508709334 /nfs/dbraw/zinc/70/93/34/508709334.db2.gz FFQNDBCGJFCNIK-UHFFFAOYSA-N -1 3 355.441 2.962 20 5 FFBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000154144926 508724994 /nfs/dbraw/zinc/72/49/94/508724994.db2.gz FACCXZXGASARPD-UHFFFAOYSA-N -1 3 354.326 2.602 20 5 FFBDHM Cc1conc1[N-]C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000158811754 508755295 /nfs/dbraw/zinc/75/52/95/508755295.db2.gz WFOZYOZLYHUBBJ-UHFFFAOYSA-N -1 3 373.106 2.748 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119684068 508843504 /nfs/dbraw/zinc/84/35/04/508843504.db2.gz XLEVGLGAEQCJQV-SNVBAGLBSA-N -1 3 372.410 2.838 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119684068 508843507 /nfs/dbraw/zinc/84/35/07/508843507.db2.gz XLEVGLGAEQCJQV-SNVBAGLBSA-N -1 3 372.410 2.838 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000120000401 508908030 /nfs/dbraw/zinc/90/80/30/508908030.db2.gz JAMMKWKIMSWDIN-UHFFFAOYSA-N -1 3 361.832 2.700 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000124963131 508911059 /nfs/dbraw/zinc/91/10/59/508911059.db2.gz MVGXCRYSCKLRBW-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000125235090 508952699 /nfs/dbraw/zinc/95/26/99/508952699.db2.gz FQNCOZHVYJXBIS-CYBMUJFWSA-N -1 3 370.452 2.593 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c([N+](=O)[O-])c1 ZINC000125297298 508961941 /nfs/dbraw/zinc/96/19/41/508961941.db2.gz IIMNAUAZXZFDKT-GFCCVEGCSA-N -1 3 352.368 2.552 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000151492925 509028672 /nfs/dbraw/zinc/02/86/72/509028672.db2.gz SCYFDWNWEAFOOU-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])[n-]c21 ZINC000162497045 509236492 /nfs/dbraw/zinc/23/64/92/509236492.db2.gz SBRBTXHQNSQNID-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(F)cc3[N+](=O)[O-])nc21 ZINC000162497045 509236501 /nfs/dbraw/zinc/23/65/01/509236501.db2.gz SBRBTXHQNSQNID-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000186181016 509563366 /nfs/dbraw/zinc/56/33/66/509563366.db2.gz MYOSOSPSBFGQGH-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1cnc([C@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000173488113 509631848 /nfs/dbraw/zinc/63/18/48/509631848.db2.gz KIJKKAYLFWBJAH-CQSZACIVSA-N -1 3 367.452 2.930 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)cc1C ZINC000173607609 509672623 /nfs/dbraw/zinc/67/26/23/509672623.db2.gz KBEKYJUNCLFRLO-CQSZACIVSA-N -1 3 365.455 2.850 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)cc1C ZINC000186677893 509845809 /nfs/dbraw/zinc/84/58/09/509845809.db2.gz JTEIPQVJTOBJBX-LLVKDONJSA-N -1 3 355.441 2.750 20 5 FFBDHM CCc1cnc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000190021821 509889241 /nfs/dbraw/zinc/88/92/41/509889241.db2.gz BTGRHLHCYVIMSK-UHFFFAOYSA-N -1 3 369.468 2.752 20 5 FFBDHM CC[C@@H](NCC(=O)[N-]C(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181548626 510468691 /nfs/dbraw/zinc/46/86/91/510468691.db2.gz QOQLVAYIFFWEMX-QGZVFWFLSA-N -1 3 371.393 2.601 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000184704744 510473628 /nfs/dbraw/zinc/47/36/28/510473628.db2.gz HUGUDCSOFMWICK-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000184704744 510473632 /nfs/dbraw/zinc/47/36/32/510473632.db2.gz HUGUDCSOFMWICK-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000184704744 510473636 /nfs/dbraw/zinc/47/36/36/510473636.db2.gz HUGUDCSOFMWICK-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1C(C)C ZINC000175132592 510497747 /nfs/dbraw/zinc/49/77/47/510497747.db2.gz GVZFOBMVGMKIRE-DZGCQCFKSA-N -1 3 356.444 2.633 20 5 FFBDHM COc1cccc2c1nc(NCc1cc(OC)c([O-])cc1[N+](=O)[O-])n2C ZINC000184789833 510516287 /nfs/dbraw/zinc/51/62/87/510516287.db2.gz AGTMBMPMWWRWSJ-UHFFFAOYSA-N -1 3 358.354 2.816 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(-c3ccccn3)s2)ccc1[N+](=O)[O-] ZINC000195301500 510772123 /nfs/dbraw/zinc/77/21/23/510772123.db2.gz JJOIKNLFOCKXGI-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM C[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185430468 510842817 /nfs/dbraw/zinc/84/28/17/510842817.db2.gz QRGNUYPUCGANSN-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185430468 510842821 /nfs/dbraw/zinc/84/28/21/510842821.db2.gz QRGNUYPUCGANSN-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000185430468 510842826 /nfs/dbraw/zinc/84/28/26/510842826.db2.gz QRGNUYPUCGANSN-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C)n2C2CC2)cc1SC ZINC000285357107 510874475 /nfs/dbraw/zinc/87/44/75/510874475.db2.gz JKXSVTGEZXKCLZ-UHFFFAOYSA-N -1 3 363.399 2.812 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c(Cl)c1 ZINC000282304870 510923492 /nfs/dbraw/zinc/92/34/92/510923492.db2.gz MJOOPPJDQKUNGG-AWEZNQCLSA-N -1 3 374.846 2.876 20 5 FFBDHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000365019636 511209457 /nfs/dbraw/zinc/20/94/57/511209457.db2.gz PJEBMAMWEUEQJT-NSHDSACASA-N -1 3 353.425 2.716 20 5 FFBDHM COCCNc1nnc(Sc2nc3ccc([N+](=O)[O-])cc3[n-]2)s1 ZINC000296576788 511804105 /nfs/dbraw/zinc/80/41/05/511804105.db2.gz QVVXNIGXLUJJTD-UHFFFAOYSA-N -1 3 352.401 2.532 20 5 FFBDHM COCCNc1nnc(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)s1 ZINC000296576788 511804109 /nfs/dbraw/zinc/80/41/09/511804109.db2.gz QVVXNIGXLUJJTD-UHFFFAOYSA-N -1 3 352.401 2.532 20 5 FFBDHM O=C([N-][C@H](c1nc[nH]n1)c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000363860788 511813999 /nfs/dbraw/zinc/81/39/99/511813999.db2.gz HILRBYABOSRVBZ-AWEZNQCLSA-N -1 3 373.319 2.711 20 5 FFBDHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000446924177 513360880 /nfs/dbraw/zinc/36/08/80/513360880.db2.gz DFDYMCZJRINOSD-AWEZNQCLSA-N -1 3 374.459 2.723 20 5 FFBDHM Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000440657045 513373530 /nfs/dbraw/zinc/37/35/30/513373530.db2.gz VSYNXPOYWHKAMG-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(N)ccc32)c([N+](=O)[O-])c1 ZINC000440844022 513420575 /nfs/dbraw/zinc/42/05/75/513420575.db2.gz OAGJPXRHVLNCCP-HNNXBMFYSA-N -1 3 361.423 2.841 20 5 FFBDHM C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416489801 513798320 /nfs/dbraw/zinc/79/83/20/513798320.db2.gz SJDGFRQUVGDPBO-APPZFPTMSA-N -1 3 370.374 2.643 20 5 FFBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000416492765 513800507 /nfs/dbraw/zinc/80/05/07/513800507.db2.gz FDNIBDPYJYCEHL-LBPRGKRZSA-N -1 3 370.349 2.707 20 5 FFBDHM O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nnc(C(F)(F)F)[n-]1 ZINC000436329407 513829968 /nfs/dbraw/zinc/82/99/68/513829968.db2.gz BWNVVFHFUSYESY-UHFFFAOYSA-N -1 3 356.186 2.758 20 5 FFBDHM O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1n[n-]c(C(F)(F)F)n1 ZINC000436329407 513829973 /nfs/dbraw/zinc/82/99/73/513829973.db2.gz BWNVVFHFUSYESY-UHFFFAOYSA-N -1 3 356.186 2.758 20 5 FFBDHM O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000436329407 513829981 /nfs/dbraw/zinc/82/99/81/513829981.db2.gz BWNVVFHFUSYESY-UHFFFAOYSA-N -1 3 356.186 2.758 20 5 FFBDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1Cl ZINC000431174268 513845952 /nfs/dbraw/zinc/84/59/52/513845952.db2.gz APIBMLRGBVQEAJ-UHFFFAOYSA-N -1 3 370.770 2.836 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000416610129 513867432 /nfs/dbraw/zinc/86/74/32/513867432.db2.gz WHEGRBWJHNIULQ-SSDOTTSWSA-N -1 3 374.312 2.609 20 5 FFBDHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2OC)c1[O-] ZINC000436507921 513878134 /nfs/dbraw/zinc/87/81/34/513878134.db2.gz HSHSPHCCEXDDML-UHFFFAOYSA-N -1 3 360.322 2.656 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)Cc1ccccc1 ZINC000451669084 513900316 /nfs/dbraw/zinc/90/03/16/513900316.db2.gz GTIQLDAPUBJKAP-ZDUSSCGKSA-N -1 3 370.452 2.501 20 5 FFBDHM O=[N+]([O-])c1cccc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000419752576 513906131 /nfs/dbraw/zinc/90/61/31/513906131.db2.gz MLJRUNYGMRBNSN-UHFFFAOYSA-N -1 3 365.386 2.787 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C)cc1C ZINC000443244579 513909334 /nfs/dbraw/zinc/90/93/34/513909334.db2.gz YQTDOAVHUINTEE-INIZCTEOSA-N -1 3 358.460 2.677 20 5 FFBDHM CN(C)C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000436718490 513955353 /nfs/dbraw/zinc/95/53/53/513955353.db2.gz FHKZIBYZGIQBNZ-CQSZACIVSA-N -1 3 363.801 2.987 20 5 FFBDHM CC1(C)Cc2ccc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c([O-])c2O1 ZINC000436778928 513976235 /nfs/dbraw/zinc/97/62/35/513976235.db2.gz SRMKHVPJZBXIIW-UHFFFAOYSA-N -1 3 371.393 2.856 20 5 FFBDHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000431730377 513980777 /nfs/dbraw/zinc/98/07/77/513980777.db2.gz VEXTZTPGGIZPLE-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000451825666 514006060 /nfs/dbraw/zinc/00/60/60/514006060.db2.gz OFQUROICTQDUAK-KRWDZBQOSA-N -1 3 364.423 2.743 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436959045 514051096 /nfs/dbraw/zinc/05/10/96/514051096.db2.gz LIAMSNQORAISHD-ZFWWWQNUSA-N -1 3 355.394 2.866 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436974401 514058933 /nfs/dbraw/zinc/05/89/33/514058933.db2.gz YHOTUHDRBVCDQQ-RDTXWAMCSA-N -1 3 369.421 2.941 20 5 FFBDHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451931153 514079720 /nfs/dbraw/zinc/07/97/20/514079720.db2.gz LJGUMEUQNFNTNS-SECBINFHSA-N -1 3 358.807 2.504 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccccc1SC ZINC000444065892 514111510 /nfs/dbraw/zinc/11/15/10/514111510.db2.gz TWUYJJDLYUQITK-UHFFFAOYSA-N -1 3 368.436 2.804 20 5 FFBDHM COC1CCC(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000427279515 514170505 /nfs/dbraw/zinc/17/05/05/514170505.db2.gz HQWANETXIBLOAP-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1 ZINC000452074751 514177089 /nfs/dbraw/zinc/17/70/89/514177089.db2.gz AECRGUSQTLITMH-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427920873 514346488 /nfs/dbraw/zinc/34/64/88/514346488.db2.gz CPAWIFNCWCJKIO-UHFFFAOYSA-N -1 3 373.384 2.834 20 5 FFBDHM Cc1cn2cc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)sc2n1 ZINC000438555668 514402418 /nfs/dbraw/zinc/40/24/18/514402418.db2.gz DXGABMMRRCERNR-UHFFFAOYSA-N -1 3 368.378 2.677 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000438764072 514437883 /nfs/dbraw/zinc/43/78/83/514437883.db2.gz JFLUPIUWWBGVJZ-UHFFFAOYSA-N -1 3 362.285 2.822 20 5 FFBDHM COc1cc(CNc2ccc(-c3ccccc3)nn2)c([N+](=O)[O-])cc1[O-] ZINC000428339105 514451338 /nfs/dbraw/zinc/45/13/38/514451338.db2.gz BEDHMBMRRZVHQC-UHFFFAOYSA-N -1 3 352.350 2.800 20 5 FFBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000433477466 514502934 /nfs/dbraw/zinc/50/29/34/514502934.db2.gz KSNHOBLLBOFOQV-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c([N+](=O)[O-])c1 ZINC000466733890 514748835 /nfs/dbraw/zinc/74/88/35/514748835.db2.gz FFLKOGVFMFIMLS-UHFFFAOYSA-N -1 3 361.379 2.563 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000467062494 514883796 /nfs/dbraw/zinc/88/37/96/514883796.db2.gz ZCSAKNZLQMCSQX-AWEZNQCLSA-N -1 3 353.425 2.789 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCCC2 ZINC000467074841 514890097 /nfs/dbraw/zinc/89/00/97/514890097.db2.gz MXEGJHDADBHTJG-STQMWFEESA-N -1 3 374.484 2.981 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)n1 ZINC000503411018 515024867 /nfs/dbraw/zinc/02/48/67/515024867.db2.gz ZFTKHHAMQXVNPN-UHFFFAOYSA-N -1 3 372.316 2.647 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)cc1C ZINC000480755330 515071671 /nfs/dbraw/zinc/07/16/71/515071671.db2.gz MEBWSQCWWVSRGI-CYBMUJFWSA-N -1 3 372.443 2.610 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000490026051 515072392 /nfs/dbraw/zinc/07/23/92/515072392.db2.gz LJWZOAHCWGROII-UHFFFAOYSA-N -1 3 354.762 2.880 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000462485645 515076642 /nfs/dbraw/zinc/07/66/42/515076642.db2.gz OEMCPCOZMGMABJ-IUODEOHRSA-N -1 3 350.371 2.643 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467717581 515092438 /nfs/dbraw/zinc/09/24/38/515092438.db2.gz DPJWEZPKTNPMTK-UHFFFAOYSA-N -1 3 358.304 2.866 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000480859379 515112154 /nfs/dbraw/zinc/11/21/54/515112154.db2.gz WUUATYWHZMOKQS-ZDUSSCGKSA-N -1 3 372.418 2.894 20 5 FFBDHM O=C(c1cc(F)cc2[n-]nnc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000503673824 515112312 /nfs/dbraw/zinc/11/23/12/515112312.db2.gz XRPCTDOXYMABOG-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM O=C(c1cc(F)cc2nn[n-]c21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000503673824 515112320 /nfs/dbraw/zinc/11/23/20/515112320.db2.gz XRPCTDOXYMABOG-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000503673824 515112331 /nfs/dbraw/zinc/11/23/31/515112331.db2.gz XRPCTDOXYMABOG-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)C ZINC000467795366 515122779 /nfs/dbraw/zinc/12/27/79/515122779.db2.gz BQUQWBGVSFYDLU-OAHLLOKOSA-N -1 3 358.460 2.941 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000481008996 515170549 /nfs/dbraw/zinc/17/05/49/515170549.db2.gz FRIGKNOAGPTEJA-DOMZBBRYSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000481022968 515176518 /nfs/dbraw/zinc/17/65/18/515176518.db2.gz KYAYAYPKALCAOR-HNNXBMFYSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)c1[N+](=O)[O-] ZINC000481026028 515177951 /nfs/dbraw/zinc/17/79/51/515177951.db2.gz NSBVZTKFLVYNTP-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000499049067 515178691 /nfs/dbraw/zinc/17/86/91/515178691.db2.gz LWJAUZRRNSWWQH-UHFFFAOYSA-N -1 3 361.379 2.563 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000481039717 515183332 /nfs/dbraw/zinc/18/33/32/515183332.db2.gz OBDLGICHQJMMJN-CABCVRRESA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c1[N+](=O)[O-] ZINC000481044915 515183767 /nfs/dbraw/zinc/18/37/67/515183767.db2.gz FRQRTXKIBUZSAX-OAHLLOKOSA-N -1 3 370.471 2.821 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000481062165 515191555 /nfs/dbraw/zinc/19/15/55/515191555.db2.gz QIVKYUCFZFIYGL-CYBMUJFWSA-N -1 3 364.423 2.827 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000462696026 515193337 /nfs/dbraw/zinc/19/33/37/515193337.db2.gz DUAZKDIOTQFZDC-FRRDWIJNSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)Oc1ccc(F)cc1 ZINC000462706494 515201460 /nfs/dbraw/zinc/20/14/60/515201460.db2.gz OLMCNXUDXAYVGV-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM COC(=O)COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000485981912 515284413 /nfs/dbraw/zinc/28/44/13/515284413.db2.gz TZTNVDDUZSUKLL-KXFIGUGUSA-N -1 3 371.349 2.690 20 5 FFBDHM COC(=O)c1c(C)cccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000481781072 515464994 /nfs/dbraw/zinc/46/49/94/515464994.db2.gz PHOAHJCQCIHWIB-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM CCc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1[O-] ZINC000486401812 515467079 /nfs/dbraw/zinc/46/70/79/515467079.db2.gz XBNXGYNKACNEEC-AWEZNQCLSA-N -1 3 356.382 2.584 20 5 FFBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000486655104 515584174 /nfs/dbraw/zinc/58/41/74/515584174.db2.gz STOZQRBRBFUZFM-GXSJLCMTSA-N -1 3 367.431 2.574 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000463864830 515646938 /nfs/dbraw/zinc/64/69/38/515646938.db2.gz KEIMIMXTOURGIJ-HUUCEWRRSA-N -1 3 356.444 2.774 20 5 FFBDHM CN(C)Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000478047757 515682644 /nfs/dbraw/zinc/68/26/44/515682644.db2.gz OGYBUBXUVCGAKB-UHFFFAOYSA-N -1 3 350.762 2.663 20 5 FFBDHM COc1cc(CNc2cccc3c2ccn(C)c3=O)c([N+](=O)[O-])cc1[O-] ZINC000500402145 515689380 /nfs/dbraw/zinc/68/93/80/515689380.db2.gz YLKABROZBJTDTQ-UHFFFAOYSA-N -1 3 355.350 2.773 20 5 FFBDHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469157261 515696519 /nfs/dbraw/zinc/69/65/19/515696519.db2.gz KFSRCEIWMILPOA-GFCCVEGCSA-N -1 3 372.443 2.876 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000487140026 515774212 /nfs/dbraw/zinc/77/42/12/515774212.db2.gz SUOVLANOLJGRQO-XJKSGUPXSA-N -1 3 356.444 2.633 20 5 FFBDHM C[C@H]1CCCC[C@@H]1OCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000500574305 515776015 /nfs/dbraw/zinc/77/60/15/515776015.db2.gz MXYCFVRYNFYRPI-LRDDRELGSA-N -1 3 358.398 2.941 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(C)ccc32)c([N+](=O)[O-])c1 ZINC000511922615 516079001 /nfs/dbraw/zinc/07/90/01/516079001.db2.gz LHBGZEQRLDTQKQ-OAHLLOKOSA-N -1 3 362.407 2.878 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000507505874 516225789 /nfs/dbraw/zinc/22/57/89/516225789.db2.gz LSIDYXLDRURSNG-DZGCQCFKSA-N -1 3 355.394 2.866 20 5 FFBDHM O=C1[C@@H]([N-]c2ncc([N+](=O)[O-])s2)CN1c1ccc(Br)cc1 ZINC000488716279 516292546 /nfs/dbraw/zinc/29/25/46/516292546.db2.gz QROWDGBYSASHGR-VIFPVBQESA-N -1 3 369.200 2.641 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000512770845 516351221 /nfs/dbraw/zinc/35/12/21/516351221.db2.gz PDXJDHSCHXYYLJ-JTQLQIEISA-N -1 3 356.350 2.955 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000544105828 516585632 /nfs/dbraw/zinc/58/56/32/516585632.db2.gz VPPAYTFUNRSYCT-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1ccc(C(=O)C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000523834744 516590300 /nfs/dbraw/zinc/59/03/00/516590300.db2.gz HSNKYYQNEIBRRB-UHFFFAOYSA-N -1 3 350.334 2.537 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@H]2C)c([N+](=O)[O-])c1 ZINC000561559895 516654200 /nfs/dbraw/zinc/65/42/00/516654200.db2.gz VWGCDZLQJUHWQN-QFYYESIMSA-N -1 3 366.370 2.843 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000518576271 516711069 /nfs/dbraw/zinc/71/10/69/516711069.db2.gz QXZNXIXRQZITRQ-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM CCCCN(C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519034596 516862696 /nfs/dbraw/zinc/86/26/96/516862696.db2.gz YZDVMQDAUZJCQU-LLVKDONJSA-N -1 3 363.867 2.647 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)nc1 ZINC000544731846 516899617 /nfs/dbraw/zinc/89/96/17/516899617.db2.gz VKZGPSXYMOEHCL-UHFFFAOYSA-N -1 3 365.411 2.520 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCC(C)(C)C2CC2)cc1[N+](=O)[O-] ZINC000555430967 516928613 /nfs/dbraw/zinc/92/86/13/516928613.db2.gz AJNPTJSMGCBJBS-UHFFFAOYSA-N -1 3 360.407 2.847 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000559158250 517106308 /nfs/dbraw/zinc/10/63/08/517106308.db2.gz UWHWCABDCVLKMB-SNVBAGLBSA-N -1 3 360.407 2.847 20 5 FFBDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000519890382 517235383 /nfs/dbraw/zinc/23/53/83/517235383.db2.gz WUODPCGPGSXPCF-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000545599210 517306959 /nfs/dbraw/zinc/30/69/59/517306959.db2.gz DFNBBJYJSPXTLR-UHFFFAOYSA-N -1 3 360.351 2.683 20 5 FFBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2[O-])cc1OC ZINC000553031236 517489692 /nfs/dbraw/zinc/48/96/92/517489692.db2.gz IQVQBJUWGKICJX-UHFFFAOYSA-N -1 3 362.338 2.587 20 5 FFBDHM CC(C)(C)C1CCC(O)(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000546071248 517527636 /nfs/dbraw/zinc/52/76/36/517527636.db2.gz SDLNVJXGAQTUPN-UHFFFAOYSA-N -1 3 370.471 2.841 20 5 FFBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000542579174 517638666 /nfs/dbraw/zinc/63/86/66/517638666.db2.gz YIFFXQWMZUPKDG-UHFFFAOYSA-N -1 3 373.369 2.715 20 5 FFBDHM COCC1(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCC1 ZINC000549865694 517754223 /nfs/dbraw/zinc/75/42/23/517754223.db2.gz RNIWEVZLKRQOHN-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM COc1cc(-c2noc(-c3cc([N+](=O)[O-])cc4c3OCCO4)n2)ccc1[O-] ZINC000560413253 517781281 /nfs/dbraw/zinc/78/12/81/517781281.db2.gz SBWKDTQFCTWXSS-UHFFFAOYSA-N -1 3 371.305 2.797 20 5 FFBDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000521770208 517850182 /nfs/dbraw/zinc/85/01/82/517850182.db2.gz JNQHIFOCPJMJFS-LLVKDONJSA-N -1 3 366.395 2.652 20 5 FFBDHM O=C(Nc1cccc([O-])c1)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC000550127694 517874794 /nfs/dbraw/zinc/87/47/94/517874794.db2.gz MJKCAQFPVYEWRE-UHFFFAOYSA-N -1 3 357.351 2.822 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000530677205 517917676 /nfs/dbraw/zinc/91/76/76/517917676.db2.gz VRIKMCCYBDSSDU-OAHLLOKOSA-N -1 3 364.448 2.904 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CCO)c1ccc(Cl)cc1 ZINC000553905826 517963184 /nfs/dbraw/zinc/96/31/84/517963184.db2.gz MZWFUNVZUQFLEU-CYBMUJFWSA-N -1 3 370.814 2.650 20 5 FFBDHM CCc1nc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])nn1-c1ccccc1 ZINC000522738057 518157210 /nfs/dbraw/zinc/15/72/10/518157210.db2.gz LGXYJCGPXRZMSV-UHFFFAOYSA-N -1 3 367.365 2.999 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCOC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000522798879 518164645 /nfs/dbraw/zinc/16/46/45/518164645.db2.gz MYQBVYXGBPWAEP-UHFFFAOYSA-N -1 3 356.444 2.921 20 5 FFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000535363653 518176380 /nfs/dbraw/zinc/17/63/80/518176380.db2.gz HHMYTDSPKXPUSV-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM COCC1(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCCCC1 ZINC000572923792 518421655 /nfs/dbraw/zinc/42/16/55/518421655.db2.gz PGCKQEPSLYENSQ-UHFFFAOYSA-N -1 3 356.444 2.778 20 5 FFBDHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000584724899 518449753 /nfs/dbraw/zinc/44/97/53/518449753.db2.gz JRTHFTMPDOLNTM-KCXAZCMYSA-N -1 3 357.366 2.935 20 5 FFBDHM COc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)s1 ZINC000585748243 518583561 /nfs/dbraw/zinc/58/35/61/518583561.db2.gz XRRKZAMLFHAMAG-UHFFFAOYSA-N -1 3 373.188 2.778 20 5 FFBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000582186488 518629900 /nfs/dbraw/zinc/62/99/00/518629900.db2.gz DBKZOLXWHRTOOI-IBGZPJMESA-N -1 3 356.378 2.702 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000570635148 518704465 /nfs/dbraw/zinc/70/44/65/518704465.db2.gz XQHVPENOFIOLQJ-GJZGRUSLSA-N -1 3 356.382 2.854 20 5 FFBDHM CC(C)(C(=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000582363270 518718722 /nfs/dbraw/zinc/71/87/22/518718722.db2.gz OZNFNTISXVUSCR-UHFFFAOYSA-N -1 3 361.320 2.599 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000579570363 518745074 /nfs/dbraw/zinc/74/50/74/518745074.db2.gz VZMJEZOHJANCAV-SNVBAGLBSA-N -1 3 370.349 2.563 20 5 FFBDHM O=C(Nc1ccc(Br)cn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000579687942 518802748 /nfs/dbraw/zinc/80/27/48/518802748.db2.gz LQBGYIZOASAXNF-UHFFFAOYSA-N -1 3 362.143 2.881 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c1[N+](=O)[O-] ZINC000573895101 518886093 /nfs/dbraw/zinc/88/60/93/518886093.db2.gz BXBKLVMVSUWFDJ-UHFFFAOYSA-N -1 3 362.407 2.625 20 5 FFBDHM COc1ccc(OC)c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000577131493 518929377 /nfs/dbraw/zinc/92/93/77/518929377.db2.gz LMZWNJZWOOURCO-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM CN(C)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000566294368 519418420 /nfs/dbraw/zinc/41/84/20/519418420.db2.gz YTYUYYMJKYIANS-INIZCTEOSA-N -1 3 357.410 2.807 20 5 FFBDHM Cc1c(C(=O)[O-])cnn1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566368233 519458087 /nfs/dbraw/zinc/45/80/87/519458087.db2.gz VKVJLSWECWUFFU-UHFFFAOYSA-N -1 3 374.397 2.514 20 5 FFBDHM O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCc2c(=O)[n-]cnc2C1 ZINC000583896513 519488477 /nfs/dbraw/zinc/48/84/77/519488477.db2.gz BQMZRJLOJAEEHB-UHFFFAOYSA-N -1 3 356.363 2.504 20 5 FFBDHM CCN=c1[n-]c(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cs1 ZINC000597297311 519941583 /nfs/dbraw/zinc/94/15/83/519941583.db2.gz SOQLVLCCIYDQOH-CQSZACIVSA-N -1 3 364.452 2.793 20 5 FFBDHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594477785 519987477 /nfs/dbraw/zinc/98/74/77/519987477.db2.gz AOYLMPCSKIOBAA-SNVBAGLBSA-N -1 3 350.462 2.694 20 5 FFBDHM Cc1cnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000594476832 519987761 /nfs/dbraw/zinc/98/77/61/519987761.db2.gz VVSRYSHOTCEDTC-UHFFFAOYSA-N -1 3 369.830 2.781 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594483201 519992262 /nfs/dbraw/zinc/99/22/62/519992262.db2.gz CVLWAUGWVTYTPD-UONOGXRCSA-N -1 3 373.862 2.543 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594486853 519997539 /nfs/dbraw/zinc/99/75/39/519997539.db2.gz JTLRIQKMUSWTPO-UKRRQHHQSA-N -1 3 356.444 2.838 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c(Br)c1 ZINC000594802415 520164181 /nfs/dbraw/zinc/16/41/81/520164181.db2.gz JHQGLPFLQBIJEE-UFBFGSQYSA-N -1 3 361.217 2.578 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000594850580 520187835 /nfs/dbraw/zinc/18/78/35/520187835.db2.gz RLRHWQDICJMZSO-UHFFFAOYSA-N -1 3 370.452 2.898 20 5 FFBDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1(F)F ZINC000594856530 520192725 /nfs/dbraw/zinc/19/27/25/520192725.db2.gz HGLSITNEBUSKHV-CQSZACIVSA-N -1 3 371.365 2.857 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc(C(=O)OC)sc2C)c1[N+](=O)[O-] ZINC000597756898 520214270 /nfs/dbraw/zinc/21/42/70/520214270.db2.gz ICZPWOPYIAYPKR-UHFFFAOYSA-N -1 3 352.372 2.679 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2ccc(C)cc21 ZINC000609319492 520275656 /nfs/dbraw/zinc/27/56/56/520275656.db2.gz FFSYYADJZSIYQG-HNNXBMFYSA-N -1 3 362.407 2.878 20 5 FFBDHM COc1ccc(C2([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])CC2)cc1 ZINC000609465775 520321741 /nfs/dbraw/zinc/32/17/41/520321741.db2.gz ZHFQMVRECNKFGM-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM CCOc1cc(CSc2nc3c(cnn3C)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000600582825 520343431 /nfs/dbraw/zinc/34/34/31/520343431.db2.gz BATSOCPILRXEGM-UHFFFAOYSA-N -1 3 361.383 2.668 20 5 FFBDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595353717 520424677 /nfs/dbraw/zinc/42/46/77/520424677.db2.gz LMEGVQOOROUTHC-IAGOWNOFSA-N -1 3 364.423 2.631 20 5 FFBDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N1CCCCCC1 ZINC000609842888 520453218 /nfs/dbraw/zinc/45/32/18/520453218.db2.gz CIVWTUKLXKMBQQ-CYBMUJFWSA-N -1 3 357.414 2.610 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1 ZINC000610220930 520586106 /nfs/dbraw/zinc/58/61/06/520586106.db2.gz NSNOOUVJRYGGJC-UHFFFAOYSA-N -1 3 352.343 2.698 20 5 FFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)N=c1cc(-c2cccc(Cl)c2)[n-][nH]1 ZINC000604533302 520591562 /nfs/dbraw/zinc/59/15/62/520591562.db2.gz RAQDVMOYTIFREV-UHFFFAOYSA-N -1 3 374.788 2.594 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000604561173 520604649 /nfs/dbraw/zinc/60/46/49/520604649.db2.gz ZYSATZFKNJPBIU-UHFFFAOYSA-N -1 3 355.379 2.993 20 5 FFBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@@H]21 ZINC000610266067 520612512 /nfs/dbraw/zinc/61/25/12/520612512.db2.gz MHAFYNFPMQIRAK-HONMWMINSA-N -1 3 374.846 2.730 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1C ZINC000610266110 520612602 /nfs/dbraw/zinc/61/26/02/520612602.db2.gz UVDUDBLUKAKMMO-DAXOMENPSA-N -1 3 368.455 2.694 20 5 FFBDHM CC1CC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000598624028 520749314 /nfs/dbraw/zinc/74/93/14/520749314.db2.gz VREYJUTWKUPULL-UHFFFAOYSA-N -1 3 363.233 2.682 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000618068291 520863359 /nfs/dbraw/zinc/86/33/59/520863359.db2.gz NHCUBXAVVRETJT-HNNXBMFYSA-N -1 3 367.471 2.507 20 5 FFBDHM COc1cc(CNC[C@@](C)(C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000593333337 520916685 /nfs/dbraw/zinc/91/66/85/520916685.db2.gz ULKAVVFXVKKWPP-LJQANCHMSA-N -1 3 374.393 2.744 20 5 FFBDHM C[C@@H](c1ccc(F)cc1F)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596108247 520916809 /nfs/dbraw/zinc/91/68/09/520916809.db2.gz RKWRUJLITMDPNQ-NSHDSACASA-N -1 3 364.352 2.857 20 5 FFBDHM O=c1[n-]ccc(N2CCC(Oc3cncc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000599109815 521036001 /nfs/dbraw/zinc/03/60/01/521036001.db2.gz WBNKYJUJPIEEFS-UHFFFAOYSA-N -1 3 350.762 2.792 20 5 FFBDHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000611292033 521082769 /nfs/dbraw/zinc/08/27/69/521082769.db2.gz IUYPQEHJHAJMPJ-SNVBAGLBSA-N -1 3 355.803 2.991 20 5 FFBDHM O=[N+]([O-])c1ccsc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000611414753 521144389 /nfs/dbraw/zinc/14/43/89/521144389.db2.gz UYAIWQFMUONMPB-UHFFFAOYSA-N -1 3 367.861 2.762 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nn2cnnc2s1 ZINC000611553535 521215488 /nfs/dbraw/zinc/21/54/88/521215488.db2.gz NZCAJYJOOISIRS-UHFFFAOYSA-N -1 3 364.412 2.848 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCN1C1CCCC1 ZINC000599464984 521239818 /nfs/dbraw/zinc/23/98/18/521239818.db2.gz ZJPCIEUGIMIKQC-LBPRGKRZSA-N -1 3 373.862 2.543 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c1 ZINC000619252764 521471619 /nfs/dbraw/zinc/47/16/19/521471619.db2.gz HPLNSMJFWAZBOO-UHFFFAOYSA-N -1 3 357.301 2.780 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000619478462 521589222 /nfs/dbraw/zinc/58/92/22/521589222.db2.gz ODIGORZMWVENHO-ZDUSSCGKSA-N -1 3 366.370 2.708 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@@H]1C ZINC000619483268 521590938 /nfs/dbraw/zinc/59/09/38/521590938.db2.gz GSMHQLFNWVEQNU-ZBEGNZNMSA-N -1 3 362.407 2.815 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1nc(C)cs1 ZINC000619484247 521592609 /nfs/dbraw/zinc/59/26/09/521592609.db2.gz GJQQVPKTWBJVEQ-UHFFFAOYSA-N -1 3 371.440 2.582 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2noc(CCc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738366712 598860684 /nfs/dbraw/zinc/86/06/84/598860684.db2.gz ICJDEVOEEKUFID-UHFFFAOYSA-N -1 3 363.337 2.610 20 5 FFBDHM Cc1cccc2oc(CCNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)nc21 ZINC000822340893 599111443 /nfs/dbraw/zinc/11/14/43/599111443.db2.gz MBTVZBASZNPDGD-UHFFFAOYSA-N -1 3 365.353 2.879 20 5 FFBDHM Cc1cccc2oc(CCNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)nc21 ZINC000822340893 599111446 /nfs/dbraw/zinc/11/14/46/599111446.db2.gz MBTVZBASZNPDGD-UHFFFAOYSA-N -1 3 365.353 2.879 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737368398 599182694 /nfs/dbraw/zinc/18/26/94/599182694.db2.gz INDCAUTVEJEVOH-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737368398 599182697 /nfs/dbraw/zinc/18/26/97/599182697.db2.gz INDCAUTVEJEVOH-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM CCc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000821476356 607267619 /nfs/dbraw/zinc/26/76/19/607267619.db2.gz MYDHQOIXWGPDDS-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CCc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000821476356 607267620 /nfs/dbraw/zinc/26/76/20/607267620.db2.gz MYDHQOIXWGPDDS-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000821109799 607305437 /nfs/dbraw/zinc/30/54/37/607305437.db2.gz PFDORRPMIMPPQJ-UHFFFAOYSA-N -1 3 353.386 2.895 20 5 FFBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000821109799 607305438 /nfs/dbraw/zinc/30/54/38/607305438.db2.gz PFDORRPMIMPPQJ-UHFFFAOYSA-N -1 3 353.386 2.895 20 5 FFBDHM COc1ccc([C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737074300 598814935 /nfs/dbraw/zinc/81/49/35/598814935.db2.gz XGOARDWPIGKZJZ-LLVKDONJSA-N -1 3 354.370 2.981 20 5 FFBDHM COc1ccc([C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000737074300 598814936 /nfs/dbraw/zinc/81/49/36/598814936.db2.gz XGOARDWPIGKZJZ-LLVKDONJSA-N -1 3 354.370 2.981 20 5 FFBDHM CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736741618 599305161 /nfs/dbraw/zinc/30/51/61/599305161.db2.gz GVUHJFUPEHHVER-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736741618 599305163 /nfs/dbraw/zinc/30/51/63/599305163.db2.gz GVUHJFUPEHHVER-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CC[C@H](C[C@H](C)CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820882363 599360407 /nfs/dbraw/zinc/36/04/07/599360407.db2.gz PQUYYFMENFTKLG-WDEREUQCSA-N -1 3 371.401 2.532 20 5 FFBDHM CC[C@H](C[C@H](C)CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820882363 599360411 /nfs/dbraw/zinc/36/04/11/599360411.db2.gz PQUYYFMENFTKLG-WDEREUQCSA-N -1 3 371.401 2.532 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738357940 599472938 /nfs/dbraw/zinc/47/29/38/599472938.db2.gz IZYXZSFNLRAMLS-ZDUSSCGKSA-N -1 3 368.372 2.983 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000738357940 599472940 /nfs/dbraw/zinc/47/29/40/599472940.db2.gz IZYXZSFNLRAMLS-ZDUSSCGKSA-N -1 3 368.372 2.983 20 5 FFBDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000822168078 599505349 /nfs/dbraw/zinc/50/53/49/599505349.db2.gz LHHRBVMTQBLZBA-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000822168078 599505352 /nfs/dbraw/zinc/50/53/52/599505352.db2.gz LHHRBVMTQBLZBA-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822271245 599527983 /nfs/dbraw/zinc/52/79/83/599527983.db2.gz SRZVDCVOSYQDFU-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822271245 599527985 /nfs/dbraw/zinc/52/79/85/599527985.db2.gz SRZVDCVOSYQDFU-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822020977 599537645 /nfs/dbraw/zinc/53/76/45/599537645.db2.gz PTZPXTOHYMNLJN-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822020977 599537646 /nfs/dbraw/zinc/53/76/46/599537646.db2.gz PTZPXTOHYMNLJN-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000826252685 607390273 /nfs/dbraw/zinc/39/02/73/607390273.db2.gz NZJSVICDWUIXIN-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000826252685 607390275 /nfs/dbraw/zinc/39/02/75/607390275.db2.gz NZJSVICDWUIXIN-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1c(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236392 607390539 /nfs/dbraw/zinc/39/05/39/607390539.db2.gz KFIKBKIQNZIEPG-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1c(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236392 607390540 /nfs/dbraw/zinc/39/05/40/607390540.db2.gz KFIKBKIQNZIEPG-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1c(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000826236621 607391056 /nfs/dbraw/zinc/39/10/56/607391056.db2.gz UZXOECZCYJAAQG-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1c(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000826236621 607391058 /nfs/dbraw/zinc/39/10/58/607391058.db2.gz UZXOECZCYJAAQG-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825825904 607436879 /nfs/dbraw/zinc/43/68/79/607436879.db2.gz NLVAVWJQJSKFHB-UHFFFAOYSA-N -1 3 364.321 2.798 20 5 FFBDHM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825825904 607436881 /nfs/dbraw/zinc/43/68/81/607436881.db2.gz NLVAVWJQJSKFHB-UHFFFAOYSA-N -1 3 364.321 2.798 20 5 FFBDHM O=[N+]([O-])c1ccc(SCCCOc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823643799 607467041 /nfs/dbraw/zinc/46/70/41/607467041.db2.gz BJSYTLWHDCUJTL-UHFFFAOYSA-N -1 3 358.383 2.731 20 5 FFBDHM Cc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826305724 607525129 /nfs/dbraw/zinc/52/51/29/607525129.db2.gz GXXRSTRXSMLMGI-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826305724 607525130 /nfs/dbraw/zinc/52/51/30/607525130.db2.gz GXXRSTRXSMLMGI-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM COc1cc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])cc1F ZINC000826181242 607559528 /nfs/dbraw/zinc/55/95/28/607559528.db2.gz QTRVOGUJZBQXOI-UHFFFAOYSA-N -1 3 374.332 2.543 20 5 FFBDHM COc1cc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])cc1F ZINC000826181242 607559529 /nfs/dbraw/zinc/55/95/29/607559529.db2.gz QTRVOGUJZBQXOI-UHFFFAOYSA-N -1 3 374.332 2.543 20 5 FFBDHM C[C@@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)[O-] ZINC000738907340 602875999 /nfs/dbraw/zinc/87/59/99/602875999.db2.gz RXGZRFPHCFGSJU-JTQLQIEISA-N -1 3 350.400 2.854 20 5 FFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826457198 607674379 /nfs/dbraw/zinc/67/43/79/607674379.db2.gz QRYMCEARXKGUFL-UHFFFAOYSA-N -1 3 365.353 2.586 20 5 FFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826457198 607674381 /nfs/dbraw/zinc/67/43/81/607674381.db2.gz QRYMCEARXKGUFL-UHFFFAOYSA-N -1 3 365.353 2.586 20 5 FFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000833418956 604955174 /nfs/dbraw/zinc/95/51/74/604955174.db2.gz DACJTCSJMUMQDH-AWEZNQCLSA-N -1 3 364.398 2.784 20 5 FFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000833420513 605549084 /nfs/dbraw/zinc/54/90/84/605549084.db2.gz SYCVLNXGANPDQC-CYBMUJFWSA-N -1 3 364.398 2.689 20 5 FFBDHM O=[N+]([O-])c1ccc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)cc1 ZINC000823635507 606057582 /nfs/dbraw/zinc/05/75/82/606057582.db2.gz YTVZNMUKIISECD-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)cc1 ZINC000823635507 606057587 /nfs/dbraw/zinc/05/75/87/606057587.db2.gz YTVZNMUKIISECD-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM CCc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cc1[N+](=O)[O-] ZINC000821475826 606100408 /nfs/dbraw/zinc/10/04/08/606100408.db2.gz AMMXZZYNQOUARH-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM CCc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cc1[N+](=O)[O-] ZINC000821475826 606100410 /nfs/dbraw/zinc/10/04/10/606100410.db2.gz AMMXZZYNQOUARH-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000823112450 606147186 /nfs/dbraw/zinc/14/71/86/606147186.db2.gz ZXEQDLSVACPGQD-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000823112450 606147187 /nfs/dbraw/zinc/14/71/87/606147187.db2.gz ZXEQDLSVACPGQD-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820461282 606592329 /nfs/dbraw/zinc/59/23/29/606592329.db2.gz GQVOMMFTMHFWEO-HFBDOXOYSA-N -1 3 367.369 2.535 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000820461282 606592330 /nfs/dbraw/zinc/59/23/30/606592330.db2.gz GQVOMMFTMHFWEO-HFBDOXOYSA-N -1 3 367.369 2.535 20 5 FFBDHM C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820396660 606625857 /nfs/dbraw/zinc/62/58/57/606625857.db2.gz HWGADGKVJYGEBY-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820396660 606625856 /nfs/dbraw/zinc/62/58/56/606625856.db2.gz HWGADGKVJYGEBY-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822982805 606665664 /nfs/dbraw/zinc/66/56/64/606665664.db2.gz IVIFWASSIVEGEG-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822982805 606665665 /nfs/dbraw/zinc/66/56/65/606665665.db2.gz IVIFWASSIVEGEG-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820329695 606666948 /nfs/dbraw/zinc/66/69/48/606666948.db2.gz YORXMHIEVKGGCG-LBPRGKRZSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820329695 606666949 /nfs/dbraw/zinc/66/69/49/606666949.db2.gz YORXMHIEVKGGCG-LBPRGKRZSA-N -1 3 366.381 2.585 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822270870 606673117 /nfs/dbraw/zinc/67/31/17/606673117.db2.gz BBCOMIHQEKDTLR-UHFFFAOYSA-N -1 3 361.264 2.581 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822270870 606673118 /nfs/dbraw/zinc/67/31/18/606673118.db2.gz BBCOMIHQEKDTLR-UHFFFAOYSA-N -1 3 361.264 2.581 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC000821362285 606880098 /nfs/dbraw/zinc/88/00/98/606880098.db2.gz ZHYXREDFBCBCPA-LSDHHAIUSA-N -1 3 358.402 2.559 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC000821362285 606880099 /nfs/dbraw/zinc/88/00/99/606880099.db2.gz ZHYXREDFBCBCPA-LSDHHAIUSA-N -1 3 358.402 2.559 20 5 FFBDHM Cc1cc(C)cc([C@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826264526 607876456 /nfs/dbraw/zinc/87/64/56/607876456.db2.gz REORBQXARAMQAA-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc(C)cc([C@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826264526 607876457 /nfs/dbraw/zinc/87/64/57/607876457.db2.gz REORBQXARAMQAA-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473325 607946562 /nfs/dbraw/zinc/94/65/62/607946562.db2.gz SXQOTPVQSQNOPP-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473325 607946563 /nfs/dbraw/zinc/94/65/63/607946563.db2.gz SXQOTPVQSQNOPP-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826464685 608105168 /nfs/dbraw/zinc/10/51/68/608105168.db2.gz IFEIMGZQXKFEOP-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826464685 608105169 /nfs/dbraw/zinc/10/51/69/608105169.db2.gz IFEIMGZQXKFEOP-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cccc1-c1nnn[n-]1 ZINC000826242567 608160398 /nfs/dbraw/zinc/16/03/98/608160398.db2.gz UUJCFTNZKBMASU-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000826242567 608160400 /nfs/dbraw/zinc/16/04/00/608160400.db2.gz UUJCFTNZKBMASU-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824478230 608432923 /nfs/dbraw/zinc/43/29/23/608432923.db2.gz FYLDDBIRRRJKOF-GFCCVEGCSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824478230 608432924 /nfs/dbraw/zinc/43/29/24/608432924.db2.gz FYLDDBIRRRJKOF-GFCCVEGCSA-N -1 3 366.381 2.585 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826304596 608438432 /nfs/dbraw/zinc/43/84/32/608438432.db2.gz RCOMTXFENJJARR-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826304596 608438433 /nfs/dbraw/zinc/43/84/33/608438433.db2.gz RCOMTXFENJJARR-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000824124622 608439846 /nfs/dbraw/zinc/43/98/46/608439846.db2.gz WSQZVZLSFWNUDS-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000824124622 608439848 /nfs/dbraw/zinc/43/98/48/608439848.db2.gz WSQZVZLSFWNUDS-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM Cc1ccnc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1-c1nnn[n-]1 ZINC000826309630 609527250 /nfs/dbraw/zinc/52/72/50/609527250.db2.gz WGXDKBAOPKQXKT-UHFFFAOYSA-N -1 3 359.777 2.768 20 5 FFBDHM Cc1ccnc(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1-c1nn[n-]n1 ZINC000826309630 609527251 /nfs/dbraw/zinc/52/72/51/609527251.db2.gz WGXDKBAOPKQXKT-UHFFFAOYSA-N -1 3 359.777 2.768 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCOC1 ZINC000824650577 609564155 /nfs/dbraw/zinc/56/41/55/609564155.db2.gz RYEJWJVLNZGCRP-QWRGUYRKSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCCOC1 ZINC000824650577 609564159 /nfs/dbraw/zinc/56/41/59/609564159.db2.gz RYEJWJVLNZGCRP-QWRGUYRKSA-N -1 3 369.385 2.550 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000179624150 729190651 /nfs/dbraw/zinc/19/06/51/729190651.db2.gz WNQAFIGZJGUTAL-UHFFFAOYSA-N -1 3 355.303 2.751 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(Cl)c1 ZINC000189028775 729395189 /nfs/dbraw/zinc/39/51/89/729395189.db2.gz QVBIOVVWOLEPMV-UHFFFAOYSA-N -1 3 367.814 2.653 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000856751823 730354975 /nfs/dbraw/zinc/35/49/75/730354975.db2.gz MRFDTRBGGPBJNM-SSDOTTSWSA-N -1 3 359.256 2.827 20 5 FFBDHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742301168 735222532 /nfs/dbraw/zinc/22/25/32/735222532.db2.gz AOZVVDBVLYXCMC-SECBINFHSA-N -1 3 365.249 2.928 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCNc1ccccc1 ZINC000760594937 736653486 /nfs/dbraw/zinc/65/34/86/736653486.db2.gz GBZGBNVCISKKQE-UHFFFAOYSA-N -1 3 355.803 2.639 20 5 FFBDHM Cc1cc(N[C@H]2CCCN3CCSC[C@H]23)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910384890 737067138 /nfs/dbraw/zinc/06/71/38/737067138.db2.gz BEMZSXLPXUPXQF-UONOGXRCSA-N -1 3 351.428 2.593 20 5 FFBDHM Cc1ncc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000771954428 737769770 /nfs/dbraw/zinc/76/97/70/737769770.db2.gz AEMXJRWQPDIWOR-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM O=C(c1ccccc1[O-])N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000791408005 739560257 /nfs/dbraw/zinc/56/02/57/739560257.db2.gz ONEREYLVNHCHSE-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000800051061 740478764 /nfs/dbraw/zinc/47/87/64/740478764.db2.gz FKTMKKJTKNMHJT-UHFFFAOYSA-N -1 3 365.386 2.835 20 5 FFBDHM O=C(OCc1cc(=O)c([O-])co1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811375222 741513624 /nfs/dbraw/zinc/51/36/24/741513624.db2.gz WKANKIKYKGSFLS-UHFFFAOYSA-N -1 3 360.105 2.917 20 5 FFBDHM C[C@]1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832366032 745684424 /nfs/dbraw/zinc/68/44/24/745684424.db2.gz YDVOWSUDFHVHOR-NSHDSACASA-N -1 3 353.227 2.847 20 5 FFBDHM CO[C@H](CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000848591438 748968585 /nfs/dbraw/zinc/96/85/85/748968585.db2.gz CEWFYPMMOBKNFH-SNVBAGLBSA-N -1 3 372.246 2.650 20 5 FFBDHM CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853233735 750034560 /nfs/dbraw/zinc/03/45/60/750034560.db2.gz JYYGTDQLHLTVHU-NSHDSACASA-N -1 3 352.391 2.897 20 5 FFBDHM CCOc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821416629 945690763 /nfs/dbraw/zinc/69/07/63/945690763.db2.gz BPTMAQFFTNDTQF-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM Cc1cc(F)cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203167 945989016 /nfs/dbraw/zinc/98/90/16/945989016.db2.gz HRWILMLEOLMJLE-SNVBAGLBSA-N -1 3 370.344 2.713 20 5 FFBDHM Cc1cc(F)cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203167 945989025 /nfs/dbraw/zinc/98/90/25/945989025.db2.gz HRWILMLEOLMJLE-SNVBAGLBSA-N -1 3 370.344 2.713 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826242764 947720167 /nfs/dbraw/zinc/72/01/67/947720167.db2.gz FKSULZPJPYEWEU-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM CC1(c2ccccc2)CN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001575858005 949282267 /nfs/dbraw/zinc/28/22/67/949282267.db2.gz XXXWMGXTTUZBKF-UHFFFAOYSA-N -1 3 354.345 2.692 20 5 FFBDHM CC1(c2ccccc2)CN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001575858005 949282292 /nfs/dbraw/zinc/28/22/92/949282292.db2.gz XXXWMGXTTUZBKF-UHFFFAOYSA-N -1 3 354.345 2.692 20 5 FFBDHM C[C@@H]1[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311951443 963524133 /nfs/dbraw/zinc/52/41/33/963524133.db2.gz JTDQXWMXGOMRPX-OCCSQVGLSA-N -1 3 356.382 2.763 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC(C)CC1 ZINC001211743670 977692252 /nfs/dbraw/zinc/69/22/52/977692252.db2.gz GKEXAJGAUNFPHB-UHFFFAOYSA-N -1 3 362.473 2.838 20 5 FFBDHM CC[C@H](CC(F)(F)F)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595042432 979234431 /nfs/dbraw/zinc/23/44/31/979234431.db2.gz LWERLKGYROLAMP-SNVBAGLBSA-N -1 3 350.293 2.879 20 5 FFBDHM Cc1cc(N(C)CCCN(C)Cc2ccncc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910378684 981927601 /nfs/dbraw/zinc/92/76/01/981927601.db2.gz QJPBXJXZLLXZRA-UHFFFAOYSA-N -1 3 372.425 2.955 20 5 FFBDHM CCCN(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC001595822846 982695194 /nfs/dbraw/zinc/69/51/94/982695194.db2.gz OXZCZUHMRQFEST-CYBMUJFWSA-N -1 3 364.402 2.549 20 5 FFBDHM O=C(c1nnc2ccccc2c1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163882470 984311920 /nfs/dbraw/zinc/31/19/20/984311920.db2.gz NXIDZDBINUVMLP-UHFFFAOYSA-N -1 3 364.361 2.636 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001128322327 987628137 /nfs/dbraw/zinc/62/81/37/987628137.db2.gz WXQWTDIVCLVFHV-UHFFFAOYSA-N -1 3 359.220 2.508 20 5 FFBDHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000917127794 990155142 /nfs/dbraw/zinc/15/51/42/990155142.db2.gz MRJMWAJTIWGPMB-UHFFFAOYSA-N -1 3 374.338 2.910 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C)n(-c2ccccc2)n1 ZINC001129116496 990416253 /nfs/dbraw/zinc/41/62/53/990416253.db2.gz CGEIOBLIEVFXQK-UHFFFAOYSA-N -1 3 353.338 2.745 20 5 FFBDHM CN(C)Cc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001598252461 991032254 /nfs/dbraw/zinc/03/22/54/991032254.db2.gz HDXDCASYNJNLLS-UHFFFAOYSA-N -1 3 361.329 2.746 20 5 FFBDHM COc1ccc(CC(=O)[N-]OCc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000747836221 995612205 /nfs/dbraw/zinc/61/22/05/995612205.db2.gz UJAICPSVJSXBCF-UHFFFAOYSA-N -1 3 364.329 2.542 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731809326 998262557 /nfs/dbraw/zinc/26/25/57/998262557.db2.gz CPGJNIMAJUYGIH-UHFFFAOYSA-N -1 3 372.272 2.680 20 5 FFBDHM COc1cc(CNc2cc(N3CCNC3=O)ccc2C)c([N+](=O)[O-])cc1[O-] ZINC000785547300 1001451769 /nfs/dbraw/zinc/45/17/69/1001451769.db2.gz MKIWMXQZUFFUCA-UHFFFAOYSA-N -1 3 372.381 2.759 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C12CCC2 ZINC001187082115 1003561640 /nfs/dbraw/zinc/56/16/40/1003561640.db2.gz OSBQGHWOBUBJEI-LSDHHAIUSA-N -1 3 372.418 2.668 20 5 FFBDHM CC(C)c1scnc1[N-]C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001129396251 1003628345 /nfs/dbraw/zinc/62/83/45/1003628345.db2.gz WRAGDHXBFLWFIH-UHFFFAOYSA-N -1 3 369.424 2.831 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1C=CCC1 ZINC001194147248 1004662334 /nfs/dbraw/zinc/66/23/34/1004662334.db2.gz LFVBLTPURRBICZ-SECBINFHSA-N -1 3 350.318 2.858 20 5 FFBDHM COC(=O)c1cc(Br)c(Nc2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC001199819529 1005025926 /nfs/dbraw/zinc/02/59/26/1005025926.db2.gz WTTMHMVCSBWHCG-UHFFFAOYSA-N -1 3 368.143 2.988 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ncnc3c2ncn3[C@H]2CCCCO2)c1 ZINC001199818431 1005034576 /nfs/dbraw/zinc/03/45/76/1005034576.db2.gz ANFJHFLFRHLMMF-CYBMUJFWSA-N -1 3 356.342 2.883 20 5 FFBDHM COc1ccc([S@@](C)(=O)=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001134003938 1006085777 /nfs/dbraw/zinc/08/57/77/1006085777.db2.gz AAEYTGKMBIILHT-AREMUKBSSA-N -1 3 374.378 2.777 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2cccc(F)c2)c([N+](=O)[O-])s1 ZINC001187759586 1006236533 /nfs/dbraw/zinc/23/65/33/1006236533.db2.gz AVSHXLFCGHVBBM-RNCFNFMXSA-N -1 3 374.415 2.504 20 5 FFBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000853459620 1006396418 /nfs/dbraw/zinc/39/64/18/1006396418.db2.gz STNLIFUPFYIGRZ-NEPJUHHUSA-N -1 3 366.418 2.825 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853642852 1006491257 /nfs/dbraw/zinc/49/12/57/1006491257.db2.gz SZKNXVAJGNPGDJ-LBPRGKRZSA-N -1 3 364.402 2.897 20 5 FFBDHM COc1cc(CNc2ccc([C@@H](C)CC(N)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC001179666357 1009410088 /nfs/dbraw/zinc/41/00/88/1009410088.db2.gz QFJNQCHYVJWOJD-NSHDSACASA-N -1 3 359.382 2.900 20 5 FFBDHM Cc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c(N)c1[N+](=O)[O-] ZINC001179880084 1009487507 /nfs/dbraw/zinc/48/75/07/1009487507.db2.gz ZGPINFXHKXIOLZ-UHFFFAOYSA-N -1 3 374.303 2.857 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)c([O-])cc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001217101278 1032611004 /nfs/dbraw/zinc/61/10/04/1032611004.db2.gz OSLPHSCFYOAEAN-UHFFFAOYSA-N -1 3 373.756 2.712 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000837427238 1025797362 /nfs/dbraw/zinc/79/73/62/1025797362.db2.gz PABNXIWJGZKLLH-UHFFFAOYSA-N -1 3 373.365 2.789 20 5 FFBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840657018 1027178054 /nfs/dbraw/zinc/17/80/54/1027178054.db2.gz OAJYXUOFJFGGKM-LSDHHAIUSA-N -1 3 355.350 2.815 20 5 FFBDHM COc1c(F)cc(F)cc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935918 1027435937 /nfs/dbraw/zinc/43/59/37/1027435937.db2.gz UQDRWGMKPBFKMU-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC001154797287 1028460180 /nfs/dbraw/zinc/46/01/80/1028460180.db2.gz NAGKRLYLBSHDCE-SECBINFHSA-N -1 3 360.345 2.527 20 5 FFBDHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)c1-2 ZINC000827962359 1029425840 /nfs/dbraw/zinc/42/58/40/1029425840.db2.gz JQENFLWJZRMCLI-UHFFFAOYSA-N -1 3 364.312 2.606 20 5 FFBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc(F)ccc1[N+](=O)[O-] ZINC000783251259 1029992263 /nfs/dbraw/zinc/99/22/63/1029992263.db2.gz VYDYIFGAZIVHSE-UHFFFAOYSA-N -1 3 359.269 2.847 20 5 FFBDHM Cc1cccc(CO[N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])n1 ZINC001149462629 1031513411 /nfs/dbraw/zinc/51/34/11/1031513411.db2.gz NXLYAQLBGBHFLL-UHFFFAOYSA-N -1 3 366.171 2.922 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001225663661 1034357589 /nfs/dbraw/zinc/35/75/89/1034357589.db2.gz FIUZJRAMXUKAIK-AWEZNQCLSA-N -1 3 365.336 2.984 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227693284 1035677683 /nfs/dbraw/zinc/67/76/83/1035677683.db2.gz RFVAXWCVTWYGRE-SNVBAGLBSA-N -1 3 363.374 2.644 20 5 FFBDHM O=C(OCc1ccccc1)[C@H]1C[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227694664 1035678316 /nfs/dbraw/zinc/67/83/16/1035678316.db2.gz HSORVERLCFPHKM-BETUJISGSA-N -1 3 368.349 2.767 20 5 FFBDHM C[C@H](Oc1[n-]c(=O)nc2cccnc21)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228007096 1035868426 /nfs/dbraw/zinc/86/84/26/1035868426.db2.gz IWPFWGSKNXGHMH-QMMMGPOBSA-N -1 3 356.294 2.507 20 5 FFBDHM Cc1nc(O[C@@H]2CCN(Cc3ccccc3Cl)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378253 1036639849 /nfs/dbraw/zinc/63/98/49/1036639849.db2.gz JMNPNDOGSOSFKZ-GFCCVEGCSA-N -1 3 364.789 2.706 20 5 FFBDHM O=[N+]([O-])c1cc2[n-]c(OC3CCN(c4ncccn4)CC3)nc2cc1Cl ZINC001233500090 1036661547 /nfs/dbraw/zinc/66/15/47/1036661547.db2.gz PYGKCOXDGAWRDA-UHFFFAOYSA-N -1 3 374.788 2.962 20 5 FFBDHM COc1cccc(-c2nnc(-c3n[n-]c([N+](=O)[O-])c3Br)o2)c1 ZINC001253324417 1040115976 /nfs/dbraw/zinc/11/59/76/1040115976.db2.gz QEHLRXYDFNCLAX-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM COc1cccc(-c2nnc(-c3[n-]nc([N+](=O)[O-])c3Br)o2)c1 ZINC001253324417 1040115978 /nfs/dbraw/zinc/11/59/78/1040115978.db2.gz QEHLRXYDFNCLAX-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001290712624 1048335750 /nfs/dbraw/zinc/33/57/50/1048335750.db2.gz WGNHCBOQNUKJQM-UHFFFAOYSA-N -1 3 373.315 2.987 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001309067972 1052549038 /nfs/dbraw/zinc/54/90/38/1052549038.db2.gz WCGDVNYZLDXYEW-NHYWBVRUSA-N -1 3 374.434 2.916 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2(C)C)c(F)cc1[N+](=O)[O-] ZINC001309381302 1052609175 /nfs/dbraw/zinc/60/91/75/1052609175.db2.gz LTFNWSORCNHNNC-LSDHHAIUSA-N -1 3 374.434 2.913 20 5 FFBDHM O=C1Nc2ccccc2[C@@H]1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001350454132 1055781944 /nfs/dbraw/zinc/78/19/44/1055781944.db2.gz DDPUOMDETCDQBR-HNNXBMFYSA-N -1 3 354.366 2.648 20 5 FFBDHM CC(C)Cn1ccnc1C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584452 1060310593 /nfs/dbraw/zinc/31/05/93/1060310593.db2.gz YKELZVIFZMJUDZ-UHFFFAOYSA-N -1 3 368.340 2.735 20 5 FFBDHM CCn1c(C)cc2n[n-]c(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2c1=O ZINC001457888107 1060465928 /nfs/dbraw/zinc/46/59/28/1060465928.db2.gz OGAGFWAKEPYISJ-UHFFFAOYSA-N -1 3 355.354 2.522 20 5 FFBDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(Cl)n1 ZINC001475628726 1061173632 /nfs/dbraw/zinc/17/36/32/1061173632.db2.gz DRTDBOICPGCFIT-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM COc1c([O-])ccc(CN2CCc3nc(C4CC4)ncc3C2)c1[N+](=O)[O-] ZINC001462503553 1061648945 /nfs/dbraw/zinc/64/89/45/1061648945.db2.gz KPWSZXHUPQRHHS-UHFFFAOYSA-N -1 3 356.382 2.535 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)nc1 ZINC001462896882 1061828744 /nfs/dbraw/zinc/82/87/44/1061828744.db2.gz FCBLDJWUKFQOFT-CYBMUJFWSA-N -1 3 353.787 2.609 20 5 FFBDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)n1 ZINC001463483729 1062125334 /nfs/dbraw/zinc/12/53/34/1062125334.db2.gz HCDLECDZXZQTIC-SECBINFHSA-N -1 3 373.431 2.889 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\c2cccnc2)c(Cl)c1 ZINC001464059574 1062405042 /nfs/dbraw/zinc/40/50/42/1062405042.db2.gz LYIHXVQMTDPFFP-RQOWECAXSA-N -1 3 353.787 2.635 20 5 FFBDHM COC(=O)c1cnc(Cl)c([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC001531678017 1062845350 /nfs/dbraw/zinc/84/53/50/1062845350.db2.gz FYTZSIKQYQPUJP-UHFFFAOYSA-N -1 3 365.729 2.691 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ncc([N+](=O)[O-])c4ccccc43)C2)n1 ZINC001472877325 1065164713 /nfs/dbraw/zinc/16/47/13/1065164713.db2.gz MMSYOUXDSNKTMG-GFCCVEGCSA-N -1 3 366.381 2.638 20 5 FFBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCc2ccccc21 ZINC001576362478 1078220320 /nfs/dbraw/zinc/22/03/20/1078220320.db2.gz BEMDLDZHGFVVTL-GFCCVEGCSA-N -1 3 350.382 2.941 20 5 FFBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCc2ccccc21 ZINC001576362478 1078220324 /nfs/dbraw/zinc/22/03/24/1078220324.db2.gz BEMDLDZHGFVVTL-GFCCVEGCSA-N -1 3 350.382 2.941 20 5 FFBDHM CSc1ccccc1CN(C)c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580236504 1078771991 /nfs/dbraw/zinc/77/19/91/1078771991.db2.gz LBUZIUFTRKGCDV-UHFFFAOYSA-N -1 3 357.399 2.528 20 5 FFBDHM CSc1ccccc1CN(C)c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580236504 1078771994 /nfs/dbraw/zinc/77/19/94/1078771994.db2.gz LBUZIUFTRKGCDV-UHFFFAOYSA-N -1 3 357.399 2.528 20 5 FFBDHM Cc1cc(NC(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)cc([N+](=O)[O-])c1 ZINC001580979943 1078900972 /nfs/dbraw/zinc/90/09/72/1078900972.db2.gz BDZKJZCUDLGKAJ-UHFFFAOYSA-N -1 3 366.381 2.881 20 5 FFBDHM Cc1cc(NC(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)cc([N+](=O)[O-])c1 ZINC001580979943 1078900976 /nfs/dbraw/zinc/90/09/76/1078900976.db2.gz BDZKJZCUDLGKAJ-UHFFFAOYSA-N -1 3 366.381 2.881 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)c1C ZINC001581213637 1078940562 /nfs/dbraw/zinc/94/05/62/1078940562.db2.gz CJFBPJJBAJCAPE-UHFFFAOYSA-N -1 3 364.365 2.548 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)c1C ZINC001581213637 1078940570 /nfs/dbraw/zinc/94/05/70/1078940570.db2.gz CJFBPJJBAJCAPE-UHFFFAOYSA-N -1 3 364.365 2.548 20 5 FFBDHM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cscc1-c1nnn[n-]1 ZINC001582653143 1079091481 /nfs/dbraw/zinc/09/14/81/1079091481.db2.gz FPOXWHSHIJCXKN-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cscc1-c1nn[n-]n1 ZINC001582653143 1079091487 /nfs/dbraw/zinc/09/14/87/1079091487.db2.gz FPOXWHSHIJCXKN-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001582804464 1079109750 /nfs/dbraw/zinc/10/97/50/1079109750.db2.gz UADYCZXIZAZWEZ-ZDUSSCGKSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001582804464 1079109757 /nfs/dbraw/zinc/10/97/57/1079109757.db2.gz UADYCZXIZAZWEZ-ZDUSSCGKSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1C[C@]1(F)c1ccccc1 ZINC001582803977 1079110039 /nfs/dbraw/zinc/11/00/39/1079110039.db2.gz YKABFLVRLSWFSL-HOCLYGCPSA-N -1 3 358.308 2.963 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1C[C@]1(F)c1ccccc1 ZINC001582803977 1079110043 /nfs/dbraw/zinc/11/00/43/1079110043.db2.gz YKABFLVRLSWFSL-HOCLYGCPSA-N -1 3 358.308 2.963 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NC[C@H]1CSc2ccccc2O1 ZINC001582804099 1079110311 /nfs/dbraw/zinc/11/03/11/1079110311.db2.gz IUWKYXJOZAYZAY-NSHDSACASA-N -1 3 370.394 2.740 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NC[C@H]1CSc2ccccc2O1 ZINC001582804099 1079110320 /nfs/dbraw/zinc/11/03/20/1079110320.db2.gz IUWKYXJOZAYZAY-NSHDSACASA-N -1 3 370.394 2.740 20 5 FFBDHM CCOc1cc(N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)ccc1[N+](=O)[O-] ZINC001559278491 1076144964 /nfs/dbraw/zinc/14/49/64/1076144964.db2.gz DLYOQPFZZWQDKY-CQSZACIVSA-N -1 3 373.413 2.878 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001561360005 1076367876 /nfs/dbraw/zinc/36/78/76/1076367876.db2.gz OWZHJLJQWJWOMV-GWCFXTLKSA-N -1 3 370.452 2.755 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCC2)CO1 ZINC001561922156 1076445575 /nfs/dbraw/zinc/44/55/75/1076445575.db2.gz DNWBFMCULIKBHE-GFCCVEGCSA-N -1 3 374.846 2.876 20 5 FFBDHM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001565602292 1076744495 /nfs/dbraw/zinc/74/44/95/1076744495.db2.gz WBLWTJOXKMKOSD-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM Cc1cc(F)cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1[N+](=O)[O-] ZINC001586287895 1079590636 /nfs/dbraw/zinc/59/06/36/1079590636.db2.gz MACXWPCPAFWNNA-UHFFFAOYSA-N -1 3 360.345 2.735 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001588908081 1080256095 /nfs/dbraw/zinc/25/60/95/1080256095.db2.gz NPMRRRFDVWRACZ-UHFFFAOYSA-N -1 3 366.381 2.656 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC001588908081 1080256104 /nfs/dbraw/zinc/25/61/04/1080256104.db2.gz NPMRRRFDVWRACZ-UHFFFAOYSA-N -1 3 366.381 2.656 20 5 FFBDHM CC(=O)c1ccc(N(C)CCc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001588915612 1080261896 /nfs/dbraw/zinc/26/18/96/1080261896.db2.gz ISBSQZGKRBXSPN-UHFFFAOYSA-N -1 3 366.381 2.656 20 5 FFBDHM CC(=O)c1ccc(N(C)CCc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001588915612 1080261904 /nfs/dbraw/zinc/26/19/04/1080261904.db2.gz ISBSQZGKRBXSPN-UHFFFAOYSA-N -1 3 366.381 2.656 20 5 FFBDHM CC(=O)c1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC001588915650 1080263580 /nfs/dbraw/zinc/26/35/80/1080263580.db2.gz LHVHNEKRHRIIEA-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(=O)c1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001588915650 1080263587 /nfs/dbraw/zinc/26/35/87/1080263587.db2.gz LHVHNEKRHRIIEA-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589002712 1080300692 /nfs/dbraw/zinc/30/06/92/1080300692.db2.gz QNTHZFYIEVQVAA-RQPMMQJISA-N -1 3 371.397 2.625 20 5 FFBDHM CC(C)O[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001589750230 1080702438 /nfs/dbraw/zinc/70/24/38/1080702438.db2.gz SVZWEDIQEIMJTH-KLPPZKSPSA-N -1 3 369.385 2.691 20 5 FFBDHM CC(C)O[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001589750230 1080702442 /nfs/dbraw/zinc/70/24/42/1080702442.db2.gz SVZWEDIQEIMJTH-KLPPZKSPSA-N -1 3 369.385 2.691 20 5 FFBDHM C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589875301 1080823768 /nfs/dbraw/zinc/82/37/68/1080823768.db2.gz DGMWISZONHQUCY-JTQLQIEISA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589875301 1080823771 /nfs/dbraw/zinc/82/37/71/1080823771.db2.gz DGMWISZONHQUCY-JTQLQIEISA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001590042857 1080968651 /nfs/dbraw/zinc/96/86/51/1080968651.db2.gz KOEGGLUKIOCHSK-LLVKDONJSA-N -1 3 352.354 2.608 20 5 FFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC001590042857 1080968655 /nfs/dbraw/zinc/96/86/55/1080968655.db2.gz KOEGGLUKIOCHSK-LLVKDONJSA-N -1 3 352.354 2.608 20 5 FFBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1C(F)(F)F ZINC001590108986 1081018619 /nfs/dbraw/zinc/01/86/19/1081018619.db2.gz LIXHJADMYGMYQN-SNVBAGLBSA-N -1 3 371.323 2.585 20 5 FFBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@H]1C(F)(F)F ZINC001590108986 1081018627 /nfs/dbraw/zinc/01/86/27/1081018627.db2.gz LIXHJADMYGMYQN-SNVBAGLBSA-N -1 3 371.323 2.585 20 5 FFBDHM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590169728 1081066998 /nfs/dbraw/zinc/06/69/98/1081066998.db2.gz YDGRVWALIOJFSS-POYBYMJQSA-N -1 3 360.271 2.691 20 5 FFBDHM C[C@H]1[C@H](C(F)(F)F)CCN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590169728 1081067001 /nfs/dbraw/zinc/06/70/01/1081067001.db2.gz YDGRVWALIOJFSS-POYBYMJQSA-N -1 3 360.271 2.691 20 5 FFBDHM O=C(c1ccccc1[O-])N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000018042657 249325730 /nfs/dbraw/zinc/32/57/30/249325730.db2.gz ZBMMFKIIUFGZOK-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM COc1cc(CCNC(=O)c2ccc([O-])c(C)c2)c([N+](=O)[O-])cc1OC ZINC000272541427 252063534 /nfs/dbraw/zinc/06/35/34/252063534.db2.gz XYHPQLIEWUCZOL-UHFFFAOYSA-N -1 3 360.366 2.599 20 5 FFBDHM Cc1nc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)ccc1[C@H](C)O ZINC000273008382 252189836 /nfs/dbraw/zinc/18/98/36/252189836.db2.gz PQSXARYCMUDYAW-NSHDSACASA-N -1 3 365.336 2.760 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C(C)(C)O)s2)c1 ZINC000290627568 257347924 /nfs/dbraw/zinc/34/79/24/257347924.db2.gz UQNHSPCZBNMVHY-UHFFFAOYSA-N -1 3 351.384 2.930 20 5 FFBDHM O=C(Cn1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1)NC1CCCC1 ZINC000301756368 258066783 /nfs/dbraw/zinc/06/67/83/258066783.db2.gz YCHAKJJPDCZOLW-UHFFFAOYSA-N -1 3 364.793 2.642 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c1C ZINC000330646906 258167430 /nfs/dbraw/zinc/16/74/30/258167430.db2.gz ZJZXHUJHKGZPEM-ZFWWWQNUSA-N -1 3 356.444 2.694 20 5 FFBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000332432480 258230350 /nfs/dbraw/zinc/23/03/50/258230350.db2.gz HSPPFPRUIKREHZ-UHFFFAOYSA-N -1 3 363.233 2.968 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000032595417 506268966 /nfs/dbraw/zinc/26/89/66/506268966.db2.gz ZTTLREGZXSKGST-UHFFFAOYSA-N -1 3 374.378 2.590 20 5 FFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000053671553 506427348 /nfs/dbraw/zinc/42/73/48/506427348.db2.gz SEZPWDSTMBHSNK-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1ccccc1 ZINC000042985565 506684452 /nfs/dbraw/zinc/68/44/52/506684452.db2.gz GGVRGHZTCGYDPZ-UHFFFAOYSA-N -1 3 350.396 2.515 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043997006 506805906 /nfs/dbraw/zinc/80/59/06/506805906.db2.gz BGYYJBIGOOZSOV-ZCFIWIBFSA-N -1 3 361.305 2.851 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043997006 506805913 /nfs/dbraw/zinc/80/59/13/506805913.db2.gz BGYYJBIGOOZSOV-ZCFIWIBFSA-N -1 3 361.305 2.851 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000067434139 506878802 /nfs/dbraw/zinc/87/88/02/506878802.db2.gz RIVLYPAKTOLYJG-KBPBESRZSA-N -1 3 366.370 2.577 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000057019474 507150820 /nfs/dbraw/zinc/15/08/20/507150820.db2.gz LJOFWGLEGZGGFN-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000021616183 507260694 /nfs/dbraw/zinc/26/06/94/507260694.db2.gz GAUQLPOBTMYLRB-UHFFFAOYSA-N -1 3 364.379 2.536 20 5 FFBDHM Cc1nc(-c2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc2)n[nH]1 ZINC000050896445 507717625 /nfs/dbraw/zinc/71/76/25/507717625.db2.gz FQOGOEYYQXJVBJ-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000028323486 507720701 /nfs/dbraw/zinc/72/07/01/507720701.db2.gz OEEWYDAOSJHFDM-UHFFFAOYSA-N -1 3 356.787 2.606 20 5 FFBDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000063629256 507753572 /nfs/dbraw/zinc/75/35/72/507753572.db2.gz YCFKHYHPIYQICN-UHFFFAOYSA-N -1 3 365.411 2.566 20 5 FFBDHM O=C([N-]c1nc2ccccc2nc1N1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000073312365 507913682 /nfs/dbraw/zinc/91/36/82/507913682.db2.gz IRUBFPQRTZUAOB-UHFFFAOYSA-N -1 3 353.338 2.984 20 5 FFBDHM O=C(Nc1ccccc1[O-])[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111546525 508107932 /nfs/dbraw/zinc/10/79/32/508107932.db2.gz SMDUXUBQPUFZPB-LLVKDONJSA-N -1 3 361.379 2.605 20 5 FFBDHM O=C(NCCNc1ccc2ncccc2c1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000112074820 508148882 /nfs/dbraw/zinc/14/88/82/508148882.db2.gz UVWKCWKNRZZELH-UHFFFAOYSA-N -1 3 352.350 2.691 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@@H]1O ZINC000127861201 508511851 /nfs/dbraw/zinc/51/18/51/508511851.db2.gz UJZVWJFMOKDXFN-ZFWWWQNUSA-N -1 3 356.444 2.513 20 5 FFBDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157695574 508598660 /nfs/dbraw/zinc/59/86/60/508598660.db2.gz WUCLJAFOTJGMRQ-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000123490780 508695128 /nfs/dbraw/zinc/69/51/28/508695128.db2.gz ZWVYYXVIJNICIG-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000147487877 508858090 /nfs/dbraw/zinc/85/80/90/508858090.db2.gz KRSLCBGTVHGHDY-UHFFFAOYSA-N -1 3 359.791 2.640 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000147734337 508859809 /nfs/dbraw/zinc/85/98/09/508859809.db2.gz YGVGTSRYTFSZRU-UHFFFAOYSA-N -1 3 358.173 2.553 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000124997022 508916820 /nfs/dbraw/zinc/91/68/20/508916820.db2.gz UDXFJZCKEIZVNR-UHFFFAOYSA-N -1 3 360.407 2.609 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c([N+](=O)[O-])c1 ZINC000125297563 508961947 /nfs/dbraw/zinc/96/19/47/508961947.db2.gz IIMNAUAZXZFDKT-LBPRGKRZSA-N -1 3 352.368 2.552 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)c1C ZINC000120416613 508991799 /nfs/dbraw/zinc/99/17/99/508991799.db2.gz QRFWSFKEGCWQIA-CQSZACIVSA-N -1 3 367.471 2.507 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)c1C ZINC000120416613 508991800 /nfs/dbraw/zinc/99/18/00/508991800.db2.gz QRFWSFKEGCWQIA-CQSZACIVSA-N -1 3 367.471 2.507 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c1 ZINC000151780984 509081793 /nfs/dbraw/zinc/08/17/93/509081793.db2.gz ZGLVQHKPRCLYIR-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000132869985 509085466 /nfs/dbraw/zinc/08/54/66/509085466.db2.gz CWLMXIRBAZAGPI-SNVBAGLBSA-N -1 3 362.835 2.650 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000156339154 509161801 /nfs/dbraw/zinc/16/18/01/509161801.db2.gz RWBVBFAHFSJQPN-SNVBAGLBSA-N -1 3 362.835 2.793 20 5 FFBDHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186019466 509483543 /nfs/dbraw/zinc/48/35/43/509483543.db2.gz UMYKLJCABLMWFN-KGLIPLIRSA-N -1 3 360.407 2.606 20 5 FFBDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000173353941 509549098 /nfs/dbraw/zinc/54/90/98/509549098.db2.gz OEBUSOWULUPUPE-OAHLLOKOSA-N -1 3 368.411 2.557 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c(Cl)c1 ZINC000186172668 509559263 /nfs/dbraw/zinc/55/92/63/509559263.db2.gz RTUNPAQSIGQALC-GFCCVEGCSA-N -1 3 362.835 2.876 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)Cc1cccs1 ZINC000173449736 509607242 /nfs/dbraw/zinc/60/72/42/509607242.db2.gz SEJPEAIATFHLRS-LLVKDONJSA-N -1 3 370.452 2.822 20 5 FFBDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173605171 509671372 /nfs/dbraw/zinc/67/13/72/509671372.db2.gz YMDYKOUTRQSGSA-LLVKDONJSA-N -1 3 371.846 2.886 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000179991475 509701905 /nfs/dbraw/zinc/70/19/05/509701905.db2.gz VWJFYRPCKZNBRQ-CYBMUJFWSA-N -1 3 366.370 2.926 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000192928800 509702408 /nfs/dbraw/zinc/70/24/08/509702408.db2.gz AYIOGBVHKRZJDW-HNNXBMFYSA-N -1 3 370.814 2.914 20 5 FFBDHM CCc1ccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c([O-])c1 ZINC000189754582 509734299 /nfs/dbraw/zinc/73/42/99/509734299.db2.gz KVRWIAOIDBUVBI-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000186694859 509857975 /nfs/dbraw/zinc/85/79/75/509857975.db2.gz UFXDLHWKLJDLFJ-QMMMGPOBSA-N -1 3 361.832 2.787 20 5 FFBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000170999901 509881824 /nfs/dbraw/zinc/88/18/24/509881824.db2.gz YFBMUAKRJXJNFQ-UHFFFAOYSA-N -1 3 351.409 2.876 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOCc2ccccc2)c1[N+](=O)[O-] ZINC000190042757 509902575 /nfs/dbraw/zinc/90/25/75/509902575.db2.gz ZOJQMACVGBTZHL-UHFFFAOYSA-N -1 3 364.423 2.707 20 5 FFBDHM CC(C)n1nnnc1-c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000180474168 509942952 /nfs/dbraw/zinc/94/29/52/509942952.db2.gz LJLFRMWDVSCVAJ-UHFFFAOYSA-N -1 3 360.305 2.814 20 5 FFBDHM COCc1nc(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n[n-]1 ZINC000268505076 509975628 /nfs/dbraw/zinc/97/56/28/509975628.db2.gz UJTIVQXYBGSKLC-QMMMGPOBSA-N -1 3 362.371 2.763 20 5 FFBDHM COc1ccc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)cc1[N+](=O)[O-] ZINC000180889572 510166053 /nfs/dbraw/zinc/16/60/53/510166053.db2.gz SENPFAHZWGOMHI-UHFFFAOYSA-N -1 3 371.328 2.704 20 5 FFBDHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000184248499 510217808 /nfs/dbraw/zinc/21/78/08/510217808.db2.gz BLYNSLBEZCKBIG-UHFFFAOYSA-N -1 3 362.816 2.797 20 5 FFBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000184890547 510566523 /nfs/dbraw/zinc/56/65/23/510566523.db2.gz OWNMIJVOBIBCDF-UHFFFAOYSA-N -1 3 360.330 2.852 20 5 FFBDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000271728300 511303473 /nfs/dbraw/zinc/30/34/73/511303473.db2.gz USRDPEJYQFMCMS-GWCFXTLKSA-N -1 3 362.835 2.730 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000273811501 511617469 /nfs/dbraw/zinc/61/74/69/511617469.db2.gz DNRXWWJHKOGJRN-SQWLQELKSA-N -1 3 370.352 2.529 20 5 FFBDHM O=C([O-])c1cnc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000305272242 511758542 /nfs/dbraw/zinc/75/85/42/511758542.db2.gz ZRIUYMZOUCKQCL-OAHLLOKOSA-N -1 3 356.382 2.765 20 5 FFBDHM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000311572396 511777558 /nfs/dbraw/zinc/77/75/58/511777558.db2.gz VAJMWKPVIBKFGI-HNNXBMFYSA-N -1 3 355.394 2.647 20 5 FFBDHM CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388247419 512894199 /nfs/dbraw/zinc/89/41/99/512894199.db2.gz DPGQECSZADJDJP-MRXNPFEDSA-N -1 3 370.409 2.789 20 5 FFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc3cc(C)ccn32)cc1OC ZINC000446647173 513304862 /nfs/dbraw/zinc/30/48/62/513304862.db2.gz GEUJQALFOYHPEE-UHFFFAOYSA-N -1 3 371.353 2.606 20 5 FFBDHM CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446950279 513365528 /nfs/dbraw/zinc/36/55/28/513365528.db2.gz MMHUQGYHZAVRCI-UHFFFAOYSA-N -1 3 351.222 2.826 20 5 FFBDHM Cn1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(C2CCC2)n1 ZINC000425157446 513430503 /nfs/dbraw/zinc/43/05/03/513430503.db2.gz ODDWDSIJAUJVFQ-UHFFFAOYSA-N -1 3 366.381 2.660 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCN2C2CCCCC2)s1 ZINC000435637895 513647238 /nfs/dbraw/zinc/64/72/38/513647238.db2.gz QMAPHWGPBKJAAB-ZDUSSCGKSA-N -1 3 373.500 2.732 20 5 FFBDHM COCCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416386520 513745497 /nfs/dbraw/zinc/74/54/97/513745497.db2.gz RWCPMUXKQMBCBD-UHFFFAOYSA-N -1 3 370.349 2.709 20 5 FFBDHM CCOCC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416485220 513796295 /nfs/dbraw/zinc/79/62/95/513796295.db2.gz AACHMXIYOOLPPV-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416539542 513823254 /nfs/dbraw/zinc/82/32/54/513823254.db2.gz SLLOXPRJTVYDBW-SNVBAGLBSA-N -1 3 367.452 2.721 20 5 FFBDHM COCC[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416575743 513842733 /nfs/dbraw/zinc/84/27/33/513842733.db2.gz BUZOPGBTWFRSIS-VIFPVBQESA-N -1 3 370.349 2.565 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)Cc1cccc(O)c1 ZINC000443380220 513954956 /nfs/dbraw/zinc/95/49/56/513954956.db2.gz HSGNFYZSLBWTIT-GFCCVEGCSA-N -1 3 350.396 2.518 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)Cc1cccc(O)c1 ZINC000443380223 513955025 /nfs/dbraw/zinc/95/50/25/513955025.db2.gz HSGNFYZSLBWTIT-LBPRGKRZSA-N -1 3 350.396 2.518 20 5 FFBDHM COC(=O)c1cc(-c2nc(-c3ccc([O-])c(OC)c3)no2)cc([N+](=O)[O-])c1 ZINC000436788558 513982160 /nfs/dbraw/zinc/98/21/60/513982160.db2.gz HEQANDSUDAOGPP-UHFFFAOYSA-N -1 3 371.305 2.813 20 5 FFBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c([O-])c1 ZINC000443561085 513995073 /nfs/dbraw/zinc/99/50/73/513995073.db2.gz SIIPDPJPGRWPIW-UHFFFAOYSA-N -1 3 364.379 2.646 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)cc1C ZINC000451831326 514010307 /nfs/dbraw/zinc/01/03/07/514010307.db2.gz ZJYGQARNAUPUBT-ZBFHGGJFSA-N -1 3 370.471 2.941 20 5 FFBDHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1cccc([N+](=O)[O-])c1 ZINC000426746700 514031615 /nfs/dbraw/zinc/03/16/15/514031615.db2.gz ZIZPFKIJHGBVFC-KRWDZBQOSA-N -1 3 355.394 2.590 20 5 FFBDHM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000451991661 514116286 /nfs/dbraw/zinc/11/62/86/514116286.db2.gz KWRYZYZOQGVKMX-GFCCVEGCSA-N -1 3 367.452 2.906 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCCN1C1CCCC1 ZINC000438557199 514402330 /nfs/dbraw/zinc/40/23/30/514402330.db2.gz JWWOVJYMBATNIT-KRWDZBQOSA-N -1 3 369.425 2.752 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)c1 ZINC000439020811 514484445 /nfs/dbraw/zinc/48/44/45/514484445.db2.gz OREFPQASIKYPEX-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM Cc1ccc(NCCCNC(=O)c2cc(F)cc3nn[n-]c32)c([N+](=O)[O-])c1 ZINC000433477505 514503039 /nfs/dbraw/zinc/50/30/39/514503039.db2.gz LFNXIISZEXGTTB-UHFFFAOYSA-N -1 3 372.360 2.546 20 5 FFBDHM Cc1ccc(NCCCNC(=O)c2cc(F)cc3[n-]nnc32)c([N+](=O)[O-])c1 ZINC000433477505 514503040 /nfs/dbraw/zinc/50/30/40/514503040.db2.gz LFNXIISZEXGTTB-UHFFFAOYSA-N -1 3 372.360 2.546 20 5 FFBDHM Cc1ccc(NCCCNC(=O)c2cc(F)cc3n[n-]nc32)c([N+](=O)[O-])c1 ZINC000433477505 514503041 /nfs/dbraw/zinc/50/30/41/514503041.db2.gz LFNXIISZEXGTTB-UHFFFAOYSA-N -1 3 372.360 2.546 20 5 FFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000508036969 514643629 /nfs/dbraw/zinc/64/36/29/514643629.db2.gz IIBBQDMPWJHPMR-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)ccc1[N+](=O)[O-] ZINC000508068304 514651747 /nfs/dbraw/zinc/65/17/47/514651747.db2.gz MMRVOSPVADRNIE-UHFFFAOYSA-N -1 3 364.370 2.850 20 5 FFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000466557390 514690500 /nfs/dbraw/zinc/69/05/00/514690500.db2.gz VMZMIHMNSQCHLX-HUUCEWRRSA-N -1 3 374.846 2.732 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000467082906 514893388 /nfs/dbraw/zinc/89/33/88/514893388.db2.gz SDRUOLSJUQUVRS-UHFFFAOYSA-N -1 3 374.827 2.779 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000467087263 514893930 /nfs/dbraw/zinc/89/39/30/514893930.db2.gz XAVJPOIBWWBPTH-NILFDRSVSA-N -1 3 350.421 2.581 20 5 FFBDHM C=Cc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000462121546 514896568 /nfs/dbraw/zinc/89/65/68/514896568.db2.gz ZDHFOMTXUKKLAK-UHFFFAOYSA-N -1 3 362.407 2.767 20 5 FFBDHM CC1(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000480449617 514964074 /nfs/dbraw/zinc/96/40/74/514964074.db2.gz QYPIGNWZQNXONP-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000462300082 514982756 /nfs/dbraw/zinc/98/27/56/514982756.db2.gz HIQVSPLYZLYSQE-NSHDSACASA-N -1 3 370.427 2.613 20 5 FFBDHM COc1ccc(CNC(=O)Cc2ccc([O-])cc2Cl)cc1[N+](=O)[O-] ZINC000509084738 515015737 /nfs/dbraw/zinc/01/57/37/515015737.db2.gz VUIOVMRVOUSXCS-UHFFFAOYSA-N -1 3 350.758 2.821 20 5 FFBDHM O=c1[n-]cnc2c1CN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2 ZINC000485406267 515026403 /nfs/dbraw/zinc/02/64/03/515026403.db2.gz LIPYKCIDOPIUDE-UHFFFAOYSA-N -1 3 367.340 2.854 20 5 FFBDHM CC(C)=CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000480732996 515063525 /nfs/dbraw/zinc/06/35/25/515063525.db2.gz FOHGYTUODXCTDP-UHFFFAOYSA-N -1 3 363.233 2.992 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c1C ZINC000480922595 515135694 /nfs/dbraw/zinc/13/56/94/515135694.db2.gz BOCOVKRSXLXUDE-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)c1C ZINC000480946224 515147611 /nfs/dbraw/zinc/14/76/11/515147611.db2.gz ANGOXYKWHRQZRB-TZMCWYRMSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)c1C ZINC000480992122 515164252 /nfs/dbraw/zinc/16/42/52/515164252.db2.gz VIYXJCMUGOTKBZ-ZBFHGGJFSA-N -1 3 370.471 2.941 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c1[N+](=O)[O-] ZINC000481024815 515177271 /nfs/dbraw/zinc/17/72/71/515177271.db2.gz NUQDIUONNHESES-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000463176088 515386521 /nfs/dbraw/zinc/38/65/21/515386521.db2.gz KHDFVUKWMNMOQI-ACJLOTCBSA-N -1 3 355.394 2.551 20 5 FFBDHM CC[C@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000510363011 515516397 /nfs/dbraw/zinc/51/63/97/515516397.db2.gz JWPZDOOHQRRIEJ-QWRGUYRKSA-N -1 3 373.456 2.657 20 5 FFBDHM Cc1c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)sc2nccn12 ZINC000486557671 515534691 /nfs/dbraw/zinc/53/46/91/515534691.db2.gz FDZQAMCPHGHFON-UHFFFAOYSA-N -1 3 368.378 2.677 20 5 FFBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000486654622 515582225 /nfs/dbraw/zinc/58/22/25/515582225.db2.gz SJMQTFQBAWBLRU-GHMZBOCLSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]1 ZINC000486654622 515582230 /nfs/dbraw/zinc/58/22/30/515582230.db2.gz SJMQTFQBAWBLRU-GHMZBOCLSA-N -1 3 367.431 2.574 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000463867931 515649331 /nfs/dbraw/zinc/64/93/31/515649331.db2.gz UICZKVBEGODODE-ZIAGYGMSSA-N -1 3 356.444 2.774 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(-c3ncc[nH]3)c2)c([N+](=O)[O-])c1 ZINC000463871851 515649606 /nfs/dbraw/zinc/64/96/06/515649606.db2.gz BIAWSOOEARICCD-UHFFFAOYSA-N -1 3 372.406 2.772 20 5 FFBDHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469157361 515697416 /nfs/dbraw/zinc/69/74/16/515697416.db2.gz KFSRCEIWMILPOA-LBPRGKRZSA-N -1 3 372.443 2.876 20 5 FFBDHM CC[C@H](C)c1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000478702537 515933867 /nfs/dbraw/zinc/93/38/67/515933867.db2.gz VRQRPWUXBQJPFW-LBPRGKRZSA-N -1 3 364.427 2.883 20 5 FFBDHM O=C([N-]c1nnc(-c2ccco2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487771544 515970316 /nfs/dbraw/zinc/97/03/16/515970316.db2.gz QTEQHKUEKHHBAA-UHFFFAOYSA-N -1 3 360.307 2.687 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000479137680 516072904 /nfs/dbraw/zinc/07/29/04/516072904.db2.gz VNYALLKLKURHSD-LBPRGKRZSA-N -1 3 352.334 2.913 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2OC(F)F)c(Cl)c1 ZINC000501384107 516086310 /nfs/dbraw/zinc/08/63/10/516086310.db2.gz WOJPHYZUZICLIG-NXEZZACHSA-N -1 3 370.761 2.687 20 5 FFBDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000507297777 516161546 /nfs/dbraw/zinc/16/15/46/516161546.db2.gz GEBZXBOYTXXXDJ-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000470366952 516222644 /nfs/dbraw/zinc/22/26/44/516222644.db2.gz JOBILUKQKBEBHP-UHFFFAOYSA-N -1 3 370.350 2.845 20 5 FFBDHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000497417718 516321310 /nfs/dbraw/zinc/32/13/10/516321310.db2.gz MLKHVRGEKOFNFR-ZDUSSCGKSA-N -1 3 364.423 2.821 20 5 FFBDHM O=C(Nc1nccn1Cc1ccccc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000523286529 516424008 /nfs/dbraw/zinc/42/40/08/516424008.db2.gz YVFRPFTYIDMIND-UHFFFAOYSA-N -1 3 362.349 2.968 20 5 FFBDHM C[C@@H](CCOCc1ccccc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000557859856 516476210 /nfs/dbraw/zinc/47/62/10/516476210.db2.gz FLKBURJNNVEWQR-AWEZNQCLSA-N -1 3 364.423 2.869 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000557861725 516476669 /nfs/dbraw/zinc/47/66/69/516476669.db2.gz SAEGAGYXHLJNJI-UHFFFAOYSA-N -1 3 352.334 2.831 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000518075366 516541366 /nfs/dbraw/zinc/54/13/66/516541366.db2.gz ZDPXUNNYHLHYHK-UHFFFAOYSA-N -1 3 356.331 2.552 20 5 FFBDHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000544104629 516584687 /nfs/dbraw/zinc/58/46/87/516584687.db2.gz JGJDTJHYGRXKDU-WDEREUQCSA-N -1 3 362.835 2.732 20 5 FFBDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000531856692 516679418 /nfs/dbraw/zinc/67/94/18/516679418.db2.gz ZPLZYIYMQNQLBC-LBPRGKRZSA-N -1 3 372.443 2.630 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000544644112 516852867 /nfs/dbraw/zinc/85/28/67/516852867.db2.gz FLKBGCLDEBXDLH-UHFFFAOYSA-N -1 3 354.359 2.644 20 5 FFBDHM COc1ccc(OCCN2CCc3ccccc3[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000519167508 516910628 /nfs/dbraw/zinc/91/06/28/516910628.db2.gz ZBOBZJQGHOOUQK-GOSISDBHSA-N -1 3 372.377 2.666 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000520028016 517261429 /nfs/dbraw/zinc/26/14/29/517261429.db2.gz IQJOKWUCCDGIMS-UHFFFAOYSA-N -1 3 364.423 2.877 20 5 FFBDHM CN1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000515654458 517436272 /nfs/dbraw/zinc/43/62/72/517436272.db2.gz SIEKMXPSMWEEJR-MFKMUULPSA-N -1 3 353.806 2.510 20 5 FFBDHM CCOC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000549525265 517602033 /nfs/dbraw/zinc/60/20/33/517602033.db2.gz ZCLOTAQXOBBZMY-UHFFFAOYSA-N -1 3 362.835 2.876 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@@H](CC(C)C)C1 ZINC000538537049 517661847 /nfs/dbraw/zinc/66/18/47/517661847.db2.gz HYJFUNDHQGGSCV-KBPBESRZSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1cc(NCCCCN2C[C@@H](C)O[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516473745 517704311 /nfs/dbraw/zinc/70/43/11/517704311.db2.gz WLNBZCWIRFLCES-ZIAGYGMSSA-N -1 3 365.430 2.903 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000538873022 517819966 /nfs/dbraw/zinc/81/99/66/517819966.db2.gz ZELUDCIKOWQTQO-UHFFFAOYSA-N -1 3 358.350 2.967 20 5 FFBDHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1ccc([O-])c(F)c1 ZINC000563578380 517995269 /nfs/dbraw/zinc/99/52/69/517995269.db2.gz QILHBUABWLSGLQ-UHFFFAOYSA-N -1 3 372.356 2.963 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000584368040 518304643 /nfs/dbraw/zinc/30/46/43/518304643.db2.gz VBLHUWISBRITRA-UHFFFAOYSA-N -1 3 350.256 2.936 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000570635147 518703875 /nfs/dbraw/zinc/70/38/75/518703875.db2.gz XQHVPENOFIOLQJ-CABCVRRESA-N -1 3 356.382 2.854 20 5 FFBDHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000579615771 518766294 /nfs/dbraw/zinc/76/62/94/518766294.db2.gz SGTOATUNGCQTOH-UHFFFAOYSA-N -1 3 358.460 2.759 20 5 FFBDHM O=C([O-])c1cnc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000567980453 518811719 /nfs/dbraw/zinc/81/17/19/518811719.db2.gz BCBGZCOPDGWRKG-UHFFFAOYSA-N -1 3 356.382 2.548 20 5 FFBDHM C[C@@H]1CN(CCCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000577518383 519121748 /nfs/dbraw/zinc/12/17/48/519121748.db2.gz UPXGOSFFIWLQCU-ZIAGYGMSSA-N -1 3 365.430 2.523 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c(C(F)(F)F)c1 ZINC000571545992 519150205 /nfs/dbraw/zinc/15/02/05/519150205.db2.gz UUVBHBDUCNTPAF-YUMQZZPRSA-N -1 3 356.297 2.783 20 5 FFBDHM Cc1cc(NCc2ccnc(OCCN(C)C)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566071871 519280335 /nfs/dbraw/zinc/28/03/35/519280335.db2.gz RBTBJICSGLSHEB-UHFFFAOYSA-N -1 3 374.397 2.549 20 5 FFBDHM COc1cccc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1F ZINC000594463217 519978115 /nfs/dbraw/zinc/97/81/15/519978115.db2.gz JXYCMQWFVPUCMO-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594472874 519983064 /nfs/dbraw/zinc/98/30/64/519983064.db2.gz HEZCVGLGUPHIOG-HUUCEWRRSA-N -1 3 354.428 2.529 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594484098 519992937 /nfs/dbraw/zinc/99/29/37/519992937.db2.gz SAJZTWDXWISUML-LSDHHAIUSA-N -1 3 367.471 2.507 20 5 FFBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nn2cnnc2s1 ZINC000612578459 520030463 /nfs/dbraw/zinc/03/04/63/520030463.db2.gz AABVCSWJIZXHKI-UHFFFAOYSA-N -1 3 364.412 2.847 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c2ncccc12 ZINC000592062526 520160969 /nfs/dbraw/zinc/16/09/69/520160969.db2.gz KKBIAKKYZWAZLW-MNOVXSKESA-N -1 3 353.375 2.702 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](CCO)c2ccccc2F)cc1[N+](=O)[O-] ZINC000592091201 520177334 /nfs/dbraw/zinc/17/73/34/520177334.db2.gz ZFURELYEYDFYQV-GFCCVEGCSA-N -1 3 374.415 2.506 20 5 FFBDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000609019168 520178076 /nfs/dbraw/zinc/17/80/76/520178076.db2.gz KUIPAKVJJZDDTR-UHFFFAOYSA-N -1 3 364.423 2.823 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@@H]1C ZINC000594832533 520179021 /nfs/dbraw/zinc/17/90/21/520179021.db2.gz JECSPWKDSCLIIM-XHDPSFHLSA-N -1 3 362.407 2.610 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609169062 520218197 /nfs/dbraw/zinc/21/81/97/520218197.db2.gz MTTJDRKPKQRAMD-UHFFFAOYSA-N -1 3 350.294 2.773 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609169062 520218202 /nfs/dbraw/zinc/21/82/02/520218202.db2.gz MTTJDRKPKQRAMD-UHFFFAOYSA-N -1 3 350.294 2.773 20 5 FFBDHM COc1cc(CN[C@@H]2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000592422357 520385143 /nfs/dbraw/zinc/38/51/43/520385143.db2.gz LQQHHLPTYVJCHV-GXSJLCMTSA-N -1 3 374.340 2.590 20 5 FFBDHM CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595362282 520430412 /nfs/dbraw/zinc/43/04/12/520430412.db2.gz XNVOAGSFXNZGBJ-LBPRGKRZSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1cccc(C2([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CCC2)c1 ZINC000595375009 520436300 /nfs/dbraw/zinc/43/63/00/520436300.db2.gz JVZHBZDHAKGUKJ-UHFFFAOYSA-N -1 3 362.407 2.961 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)O)c1C ZINC000595409538 520451257 /nfs/dbraw/zinc/45/12/57/520451257.db2.gz UERYZPWGYHPYBP-CZUORRHYSA-N -1 3 364.423 2.612 20 5 FFBDHM CCc1ccc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000609898888 520474546 /nfs/dbraw/zinc/47/45/46/520474546.db2.gz YTPFQIQIFYGDPG-UHFFFAOYSA-N -1 3 364.423 2.687 20 5 FFBDHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000598195181 520487873 /nfs/dbraw/zinc/48/78/73/520487873.db2.gz LOTAZSAKFJXIKJ-QGZVFWFLSA-N -1 3 369.421 2.689 20 5 FFBDHM CN(C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000592972186 520665485 /nfs/dbraw/zinc/66/54/85/520665485.db2.gz VSDYLSOUKKCWBV-UHFFFAOYSA-N -1 3 373.409 2.888 20 5 FFBDHM O=c1[n-]ccc(N2CCCN(c3cccc(F)c3F)CC2)c1[N+](=O)[O-] ZINC000601191769 520681746 /nfs/dbraw/zinc/68/17/46/520681746.db2.gz NLZRPDHPAGLTIW-UHFFFAOYSA-N -1 3 350.325 2.690 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1C ZINC000610800335 520848870 /nfs/dbraw/zinc/84/88/70/520848870.db2.gz PFGUEWJQGPTVQZ-DAXOMENPSA-N -1 3 368.455 2.694 20 5 FFBDHM CN(C)c1cc(F)cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000593287896 520884841 /nfs/dbraw/zinc/88/48/41/520884841.db2.gz VXECRUFDBDOCCL-UHFFFAOYSA-N -1 3 367.402 2.784 20 5 FFBDHM C[C@H]1CN(Cc2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000596077740 520897515 /nfs/dbraw/zinc/89/75/15/520897515.db2.gz ATZYRZKUIJRMLI-KBPBESRZSA-N -1 3 372.425 2.917 20 5 FFBDHM O=c1[n-]ccc(NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000596092632 520907954 /nfs/dbraw/zinc/90/79/54/520907954.db2.gz DCQNYAITEDJJKU-SNVBAGLBSA-N -1 3 350.325 2.912 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)nc1 ZINC000593540569 521062790 /nfs/dbraw/zinc/06/27/90/521062790.db2.gz BMCRZWRRJQOKTD-UHFFFAOYSA-N -1 3 367.814 2.653 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)nc1 ZINC000593560127 521076997 /nfs/dbraw/zinc/07/69/97/521076997.db2.gz PUFWLOLJGRTVFT-UWVGGRQHSA-N -1 3 367.349 2.637 20 5 FFBDHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593568137 521081400 /nfs/dbraw/zinc/08/14/00/521081400.db2.gz UCZHXWRLYCXFNF-GFCCVEGCSA-N -1 3 367.452 2.839 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000619484628 521592445 /nfs/dbraw/zinc/59/24/45/521592445.db2.gz OXPLVEUAARBTRL-LLVKDONJSA-N -1 3 366.420 2.729 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000619499449 521599530 /nfs/dbraw/zinc/59/95/30/521599530.db2.gz UCAMPVUHYBITLS-UHFFFAOYSA-N -1 3 362.407 2.959 20 5 FFBDHM Cn1[n-]c(=NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000501529571 561599783 /nfs/dbraw/zinc/59/97/83/561599783.db2.gz UBBBXYXPDAEWJL-UHFFFAOYSA-N -1 3 354.313 2.846 20 5 FFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000512297307 561899028 /nfs/dbraw/zinc/89/90/28/561899028.db2.gz BBDXRTQGPZZSKY-UHFFFAOYSA-N -1 3 362.349 2.973 20 5 FFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473845269 561058923 /nfs/dbraw/zinc/05/89/23/561058923.db2.gz FMGHNZHTQOTVRX-OAHLLOKOSA-N -1 3 355.354 2.763 20 5 FFBDHM COC(C)(C)C[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821672362 599045619 /nfs/dbraw/zinc/04/56/19/599045619.db2.gz IECAVUYZQOBRMB-JTQLQIEISA-N -1 3 371.401 2.939 20 5 FFBDHM COC(C)(C)C[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821672362 599045622 /nfs/dbraw/zinc/04/56/22/599045622.db2.gz IECAVUYZQOBRMB-JTQLQIEISA-N -1 3 371.401 2.939 20 5 FFBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820774898 599050422 /nfs/dbraw/zinc/05/04/22/599050422.db2.gz GUVSYFPKGXDWPH-SWLSCSKDSA-N -1 3 365.397 2.800 20 5 FFBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820774898 599050425 /nfs/dbraw/zinc/05/04/25/599050425.db2.gz GUVSYFPKGXDWPH-SWLSCSKDSA-N -1 3 365.397 2.800 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2cncc(Br)c2)c(-c2nnn[n-]2)c1 ZINC000738366992 599062164 /nfs/dbraw/zinc/06/21/64/599062164.db2.gz MNHXUZFOZHRIMX-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1ccc(Oc2cncc(Br)c2)c(-c2nn[n-]n2)c1 ZINC000738366992 599062167 /nfs/dbraw/zinc/06/21/67/599062167.db2.gz MNHXUZFOZHRIMX-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)S1 ZINC000820766144 599074280 /nfs/dbraw/zinc/07/42/80/599074280.db2.gz ABIIMDNMUNSWTH-NXEZZACHSA-N -1 3 371.426 2.653 20 5 FFBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)S1 ZINC000820766144 599074282 /nfs/dbraw/zinc/07/42/82/599074282.db2.gz ABIIMDNMUNSWTH-NXEZZACHSA-N -1 3 371.426 2.653 20 5 FFBDHM COc1ccccc1O[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821903845 599077424 /nfs/dbraw/zinc/07/74/24/599077424.db2.gz MQCLSQJKGKNABV-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccccc1O[C@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821903845 599077427 /nfs/dbraw/zinc/07/74/27/599077427.db2.gz MQCLSQJKGKNABV-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM CCC[C@@H](CCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821020841 599104762 /nfs/dbraw/zinc/10/47/62/599104762.db2.gz INPRWTGDHTUIBF-NSHDSACASA-N -1 3 371.401 2.534 20 5 FFBDHM CCC[C@@H](CCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821020841 599104763 /nfs/dbraw/zinc/10/47/63/599104763.db2.gz INPRWTGDHTUIBF-NSHDSACASA-N -1 3 371.401 2.534 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000738236463 599164129 /nfs/dbraw/zinc/16/41/29/599164129.db2.gz JFZNSAGHPJQIMV-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000738236463 599164131 /nfs/dbraw/zinc/16/41/31/599164131.db2.gz JFZNSAGHPJQIMV-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737969215 599180869 /nfs/dbraw/zinc/18/08/69/599180869.db2.gz OWQWMZRCIMYKAR-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737969215 599180872 /nfs/dbraw/zinc/18/08/72/599180872.db2.gz OWQWMZRCIMYKAR-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM Cn1cc(CNCc2ccc(C(=O)[O-])cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000819067869 597136012 /nfs/dbraw/zinc/13/60/12/597136012.db2.gz PYTGAQVEUXQTJN-UHFFFAOYSA-N -1 3 366.377 2.983 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3cccs3)cc(-c3nnn[n-]3)c2c1 ZINC000738367530 599256231 /nfs/dbraw/zinc/25/62/31/599256231.db2.gz UYPKUVCFQYVDQU-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3cccs3)cc(-c3nn[n-]n3)c2c1 ZINC000738367530 599256233 /nfs/dbraw/zinc/25/62/33/599256233.db2.gz UYPKUVCFQYVDQU-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=[N+]([O-])c1cc(F)cc(OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000823634795 607327854 /nfs/dbraw/zinc/32/78/54/607327854.db2.gz MICBEWXABGBOAC-UHFFFAOYSA-N -1 3 354.301 2.746 20 5 FFBDHM O=[N+]([O-])c1cc(F)cc(OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000823634795 607327855 /nfs/dbraw/zinc/32/78/55/607327855.db2.gz MICBEWXABGBOAC-UHFFFAOYSA-N -1 3 354.301 2.746 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000737293656 598498956 /nfs/dbraw/zinc/49/89/56/598498956.db2.gz HGVIEPRACOZZNL-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000737293656 598498958 /nfs/dbraw/zinc/49/89/58/598498958.db2.gz HGVIEPRACOZZNL-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738163939 598568942 /nfs/dbraw/zinc/56/89/42/598568942.db2.gz RYYLLWHXEQERFK-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738163939 598568944 /nfs/dbraw/zinc/56/89/44/598568944.db2.gz RYYLLWHXEQERFK-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000738367267 598594611 /nfs/dbraw/zinc/59/46/11/598594611.db2.gz OXJBSEWYOOIPKV-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000738367267 598594613 /nfs/dbraw/zinc/59/46/13/598594613.db2.gz OXJBSEWYOOIPKV-UHFFFAOYSA-N -1 3 362.296 2.544 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000738360579 598609255 /nfs/dbraw/zinc/60/92/55/598609255.db2.gz QYUKBABDKHBQLJ-YFHOEESVSA-N -1 3 361.321 2.995 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738360579 598609257 /nfs/dbraw/zinc/60/92/57/598609257.db2.gz QYUKBABDKHBQLJ-YFHOEESVSA-N -1 3 361.321 2.995 20 5 FFBDHM C[C@H]1c2ccccc2OCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736301714 598668957 /nfs/dbraw/zinc/66/89/57/598668957.db2.gz DHKLZJOYGJWLGE-NSHDSACASA-N -1 3 352.354 2.735 20 5 FFBDHM C[C@H]1c2ccccc2OCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736301714 598668959 /nfs/dbraw/zinc/66/89/59/598668959.db2.gz DHKLZJOYGJWLGE-NSHDSACASA-N -1 3 352.354 2.735 20 5 FFBDHM Cc1cccc2[nH]cc(CCNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)c21 ZINC000737409776 598674536 /nfs/dbraw/zinc/67/45/36/598674536.db2.gz SCBSMFHEYYLFDK-UHFFFAOYSA-N -1 3 364.369 2.614 20 5 FFBDHM Cc1cccc2[nH]cc(CCNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)c21 ZINC000737409776 598674538 /nfs/dbraw/zinc/67/45/38/598674538.db2.gz SCBSMFHEYYLFDK-UHFFFAOYSA-N -1 3 364.369 2.614 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000737240101 598702908 /nfs/dbraw/zinc/70/29/08/598702908.db2.gz DAMGZXRHBBCAGP-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000737240101 598702909 /nfs/dbraw/zinc/70/29/09/598702909.db2.gz DAMGZXRHBBCAGP-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(N(C[C@H]2CCCO2)C2CCCC2)c(-c2nnn[n-]2)c1 ZINC000738369557 599322792 /nfs/dbraw/zinc/32/27/92/599322792.db2.gz IROLHXQRFNXBMO-CQSZACIVSA-N -1 3 358.402 2.703 20 5 FFBDHM O=[N+]([O-])c1ccc(N(C[C@H]2CCCO2)C2CCCC2)c(-c2nn[n-]n2)c1 ZINC000738369557 599322794 /nfs/dbraw/zinc/32/27/94/599322794.db2.gz IROLHXQRFNXBMO-CQSZACIVSA-N -1 3 358.402 2.703 20 5 FFBDHM O=[N+]([O-])c1cc(CSc2ccccc2-c2nnn[n-]2)c2c(c1)COCO2 ZINC000823634674 599343857 /nfs/dbraw/zinc/34/38/57/599343857.db2.gz JREMSSHWBLOKFH-UHFFFAOYSA-N -1 3 371.378 2.934 20 5 FFBDHM O=[N+]([O-])c1cc(CSc2ccccc2-c2nn[n-]n2)c2c(c1)COCO2 ZINC000823634674 599343858 /nfs/dbraw/zinc/34/38/58/599343858.db2.gz JREMSSHWBLOKFH-UHFFFAOYSA-N -1 3 371.378 2.934 20 5 FFBDHM Cc1c(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236579 607390726 /nfs/dbraw/zinc/39/07/26/607390726.db2.gz SHRJPXXXEHCDAI-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1c(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236579 607390729 /nfs/dbraw/zinc/39/07/29/607390729.db2.gz SHRJPXXXEHCDAI-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000826250112 607431188 /nfs/dbraw/zinc/43/11/88/607431188.db2.gz LMVAGWQVRNRXKF-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000826250112 607431189 /nfs/dbraw/zinc/43/11/89/607431189.db2.gz LMVAGWQVRNRXKF-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825820552 607441855 /nfs/dbraw/zinc/44/18/55/607441855.db2.gz KBRZBWPDIUGPJF-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825820552 607441857 /nfs/dbraw/zinc/44/18/57/607441857.db2.gz KBRZBWPDIUGPJF-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM CC[C@H](O)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820931032 607467778 /nfs/dbraw/zinc/46/77/78/607467778.db2.gz AGXGXVFIMMLQBJ-HNNXBMFYSA-N -1 3 368.397 2.552 20 5 FFBDHM CC[C@H](O)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820931032 607467779 /nfs/dbraw/zinc/46/77/79/607467779.db2.gz AGXGXVFIMMLQBJ-HNNXBMFYSA-N -1 3 368.397 2.552 20 5 FFBDHM Cc1c(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cccc1[N+](=O)[O-] ZINC000826241375 607710202 /nfs/dbraw/zinc/71/02/02/607710202.db2.gz BGPDQYOBJCQWNO-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1c(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cccc1[N+](=O)[O-] ZINC000826241375 607710204 /nfs/dbraw/zinc/71/02/04/607710204.db2.gz BGPDQYOBJCQWNO-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1nn(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000833921576 605326852 /nfs/dbraw/zinc/32/68/52/605326852.db2.gz UVCOSKADJMAKOX-RCBQFDQVSA-N -1 3 373.413 2.579 20 5 FFBDHM O=C([O-])N1CC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000834077822 605556672 /nfs/dbraw/zinc/55/66/72/605556672.db2.gz KUPVOJHGWQPZCF-LLVKDONJSA-N -1 3 362.411 2.808 20 5 FFBDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834103175 605819133 /nfs/dbraw/zinc/81/91/33/605819133.db2.gz AAFNIYLQKORALE-ZACQAIPSSA-N -1 3 363.414 2.625 20 5 FFBDHM CCO[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC000821350752 606143781 /nfs/dbraw/zinc/14/37/81/606143781.db2.gz CJTKGYWOPHGZLL-AWEZNQCLSA-N -1 3 361.406 2.567 20 5 FFBDHM CCO[C@@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC000821350752 606143782 /nfs/dbraw/zinc/14/37/82/606143782.db2.gz CJTKGYWOPHGZLL-AWEZNQCLSA-N -1 3 361.406 2.567 20 5 FFBDHM O=[N+]([O-])c1cnc(Oc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000823650837 606431656 /nfs/dbraw/zinc/43/16/56/606431656.db2.gz BZZPQPRDGPJLBI-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1cnc(Oc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000823650837 606431658 /nfs/dbraw/zinc/43/16/58/606431658.db2.gz BZZPQPRDGPJLBI-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229339 606438660 /nfs/dbraw/zinc/43/86/60/606438660.db2.gz RYLDEFPLVRWMQQ-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229339 606438662 /nfs/dbraw/zinc/43/86/62/606438662.db2.gz RYLDEFPLVRWMQQ-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM CN(CCOc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821605108 606644920 /nfs/dbraw/zinc/64/49/20/606644920.db2.gz VQWJMCAIEFHYCP-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822271282 607086405 /nfs/dbraw/zinc/08/64/05/607086405.db2.gz UUZYFSBRRQUCBB-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822271282 607086406 /nfs/dbraw/zinc/08/64/06/607086406.db2.gz UUZYFSBRRQUCBB-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821845879 607240520 /nfs/dbraw/zinc/24/05/20/607240520.db2.gz KSUCSQSLHNIIJL-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821845879 607240521 /nfs/dbraw/zinc/24/05/21/607240521.db2.gz KSUCSQSLHNIIJL-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM CCNc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821310129 607244537 /nfs/dbraw/zinc/24/45/37/607244537.db2.gz XDFJTYONSBVQAA-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CCNc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821310129 607244538 /nfs/dbraw/zinc/24/45/38/607244538.db2.gz XDFJTYONSBVQAA-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000826499063 608099166 /nfs/dbraw/zinc/09/91/66/608099166.db2.gz UOPSRKYXOGPDIX-AGIUHOORSA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c(-c2nn[n-]n2)c1 ZINC000826499063 608099167 /nfs/dbraw/zinc/09/91/67/608099167.db2.gz UOPSRKYXOGPDIX-AGIUHOORSA-N -1 3 364.456 2.566 20 5 FFBDHM Cc1c(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cccc1[N+](=O)[O-] ZINC000826236465 608453869 /nfs/dbraw/zinc/45/38/69/608453869.db2.gz NDJSAOBBGGMEBS-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1c(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cccc1[N+](=O)[O-] ZINC000826236465 608453873 /nfs/dbraw/zinc/45/38/73/608453873.db2.gz NDJSAOBBGGMEBS-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc([N+](=O)[O-])c(OC)c1 ZINC000825782514 608876011 /nfs/dbraw/zinc/87/60/11/608876011.db2.gz GEJAVYGPWZVKKP-UHFFFAOYSA-N -1 3 365.353 2.820 20 5 FFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc([N+](=O)[O-])c(OC)c1 ZINC000825782514 608876013 /nfs/dbraw/zinc/87/60/13/608876013.db2.gz GEJAVYGPWZVKKP-UHFFFAOYSA-N -1 3 365.353 2.820 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 ZINC000826252565 609284222 /nfs/dbraw/zinc/28/42/22/609284222.db2.gz IGQCIIHAGBBBCZ-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc([N+](=O)[O-])c(C)c1 ZINC000826252565 609284224 /nfs/dbraw/zinc/28/42/24/609284224.db2.gz IGQCIIHAGBBBCZ-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778222616 609302018 /nfs/dbraw/zinc/30/20/18/609302018.db2.gz ZOOUOQYJBUYBSZ-UHFFFAOYSA-N -1 3 360.280 2.505 20 5 FFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778222616 609302020 /nfs/dbraw/zinc/30/20/20/609302020.db2.gz ZOOUOQYJBUYBSZ-UHFFFAOYSA-N -1 3 360.280 2.505 20 5 FFBDHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823944110 609501836 /nfs/dbraw/zinc/50/18/36/609501836.db2.gz XSINCVIHMZEKKC-VAWYXSNFSA-N -1 3 364.365 2.841 20 5 FFBDHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823944110 609501839 /nfs/dbraw/zinc/50/18/39/609501839.db2.gz XSINCVIHMZEKKC-VAWYXSNFSA-N -1 3 364.365 2.841 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000856748141 730354140 /nfs/dbraw/zinc/35/41/40/730354140.db2.gz XZVDGDUBWJTSFB-QMMMGPOBSA-N -1 3 354.762 2.880 20 5 FFBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000865371911 730947310 /nfs/dbraw/zinc/94/73/10/730947310.db2.gz VNBJFTDULPNFKK-UHFFFAOYSA-N -1 3 369.330 2.713 20 5 FFBDHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000779944115 738500588 /nfs/dbraw/zinc/50/05/88/738500588.db2.gz NGAGWSNHCMURNZ-GFCCVEGCSA-N -1 3 371.415 2.855 20 5 FFBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000780913828 738588004 /nfs/dbraw/zinc/58/80/04/738588004.db2.gz PNCSOURRPHHKGY-BDAKNGLRSA-N -1 3 363.233 2.824 20 5 FFBDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742267088 735216199 /nfs/dbraw/zinc/21/61/99/735216199.db2.gz WDDBTUKIECICEY-QMMMGPOBSA-N -1 3 351.222 2.824 20 5 FFBDHM CN(C)C(=O)Sc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000770420192 737624883 /nfs/dbraw/zinc/62/48/83/737624883.db2.gz UNWVZUBNIWALTG-UHFFFAOYSA-N -1 3 362.367 2.721 20 5 FFBDHM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000917861896 737780384 /nfs/dbraw/zinc/78/03/84/737780384.db2.gz FLUJGAIBPIBCKA-UHFFFAOYSA-N -1 3 368.386 2.790 20 5 FFBDHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000778043020 738347366 /nfs/dbraw/zinc/34/73/66/738347366.db2.gz YZQGNXIKSBZDNO-GFCCVEGCSA-N -1 3 358.341 2.923 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000790829213 739501563 /nfs/dbraw/zinc/50/15/63/739501563.db2.gz UNBSOHLZLFCXOQ-VIFPVBQESA-N -1 3 353.227 2.684 20 5 FFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000830147874 745314601 /nfs/dbraw/zinc/31/46/01/745314601.db2.gz HOVHGWPPNGOCMR-LBPRGKRZSA-N -1 3 357.432 2.583 20 5 FFBDHM CCc1nc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)cs1 ZINC000848583877 748966369 /nfs/dbraw/zinc/96/63/69/748966369.db2.gz YUPUPYUZPLAHFP-UHFFFAOYSA-N -1 3 357.338 2.902 20 5 FFBDHM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000848590561 748967726 /nfs/dbraw/zinc/96/77/26/748967726.db2.gz FEZCZAIIRQDNNZ-BXKDBHETSA-N -1 3 352.297 2.585 20 5 FFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1[N+](=O)[O-] ZINC000010963203 1013344907 /nfs/dbraw/zinc/34/49/07/1013344907.db2.gz RYXPIYPXASNDRQ-UHFFFAOYSA-N -1 3 359.294 2.917 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)N2CCC(Cc3nnn[n-]3)CC2)cc1[N+](=O)[O-] ZINC001176774224 1013768442 /nfs/dbraw/zinc/76/84/42/1013768442.db2.gz GTNKFAKCAZFUSR-UHFFFAOYSA-N -1 3 372.429 2.500 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)N2CCC(Cc3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC001176774224 1013768448 /nfs/dbraw/zinc/76/84/48/1013768448.db2.gz GTNKFAKCAZFUSR-UHFFFAOYSA-N -1 3 372.429 2.500 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2nnc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC000177842429 969358315 /nfs/dbraw/zinc/35/83/15/969358315.db2.gz PYETVXSQDRRSBS-LLVKDONJSA-N -1 3 352.350 2.631 20 5 FFBDHM COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598786651 996035182 /nfs/dbraw/zinc/03/51/82/996035182.db2.gz DNRYRMRAOQXXPP-DYVFJYSZSA-N -1 3 350.371 2.505 20 5 FFBDHM CCOC(=O)c1cnn(-c2ccccn2)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815223 1005034698 /nfs/dbraw/zinc/03/46/98/1005034698.db2.gz WSHOJHFBPWUZRE-UHFFFAOYSA-N -1 3 369.337 2.801 20 5 FFBDHM CCOc1cc(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)ccc1OC ZINC001212844454 1009549532 /nfs/dbraw/zinc/54/95/32/1009549532.db2.gz UUKCNYKVIQYXOO-UHFFFAOYSA-N -1 3 358.310 2.820 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3ncccc3Br)no2)cc1[N+](=O)[O-] ZINC001212844557 1009561161 /nfs/dbraw/zinc/56/11/61/1009561161.db2.gz ZZNLGUGLUFLPBZ-UHFFFAOYSA-N -1 3 364.115 2.570 20 5 FFBDHM COCC[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC001180927352 1009899209 /nfs/dbraw/zinc/89/92/09/1009899209.db2.gz TVBQSMGYNRYYAH-GFCCVEGCSA-N -1 3 357.366 2.866 20 5 FFBDHM Cn1nc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cc1Br ZINC001124682170 1024361830 /nfs/dbraw/zinc/36/18/30/1024361830.db2.gz YAHAAVUMGJFYNY-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM Cc1c(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837436443 1025807962 /nfs/dbraw/zinc/80/79/62/1025807962.db2.gz APFICFHGCSLPGY-UHFFFAOYSA-N -1 3 374.309 2.541 20 5 FFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837601578 1025919974 /nfs/dbraw/zinc/91/99/74/1025919974.db2.gz RAEJSLKREOTMQZ-UHFFFAOYSA-N -1 3 368.349 2.735 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001212937145 1027444017 /nfs/dbraw/zinc/44/40/17/1027444017.db2.gz QAHMQEXABSHNHG-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM CNc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cccc1[N+](=O)[O-] ZINC001162885283 1028697012 /nfs/dbraw/zinc/69/70/12/1028697012.db2.gz KMGCRSNQOOPFOY-UHFFFAOYSA-N -1 3 361.358 2.567 20 5 FFBDHM CNc1c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cccc1[N+](=O)[O-] ZINC001162885283 1028697015 /nfs/dbraw/zinc/69/70/15/1028697015.db2.gz KMGCRSNQOOPFOY-UHFFFAOYSA-N -1 3 361.358 2.567 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])c([N-][C@H](c2cccnc2)C(F)(F)F)n1 ZINC001156163625 1029069709 /nfs/dbraw/zinc/06/97/09/1029069709.db2.gz VCHNLKDICKVMGG-LLVKDONJSA-N -1 3 356.260 2.887 20 5 FFBDHM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228609224 1036203108 /nfs/dbraw/zinc/20/31/08/1036203108.db2.gz BCSTVEBQGBGEMV-WCQYABFASA-N -1 3 371.397 2.577 20 5 FFBDHM CCOC(=O)[C@@H]1C[C@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c2ccccc2O1 ZINC001228689689 1036259310 /nfs/dbraw/zinc/25/93/10/1036259310.db2.gz WNHKNHYFVTYYPV-ZFWWWQNUSA-N -1 3 374.349 2.838 20 5 FFBDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC001213838328 1040982992 /nfs/dbraw/zinc/98/29/92/1040982992.db2.gz IDRSBCMRHZHCDI-JTQLQIEISA-N -1 3 360.407 2.606 20 5 FFBDHM COc1ccc(CNC[C@@H](CCC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-] ZINC001329964189 1048986058 /nfs/dbraw/zinc/98/60/58/1048986058.db2.gz JNYGDPVFMXTSLN-SNVBAGLBSA-N -1 3 350.293 2.736 20 5 FFBDHM CC(C)(C)OC(=O)NCC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001347238388 1053745777 /nfs/dbraw/zinc/74/57/77/1053745777.db2.gz OYQRVNRJDPLXQZ-LBPRGKRZSA-N -1 3 366.418 2.827 20 5 FFBDHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001543911155 1071566247 /nfs/dbraw/zinc/56/62/47/1071566247.db2.gz NWCNGQYSFPZBKM-INIZCTEOSA-N -1 3 355.394 2.695 20 5 FFBDHM O=C([N-]c1nc2ccccn2n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001357612732 1055963310 /nfs/dbraw/zinc/96/33/10/1055963310.db2.gz VOBQPLJWYINUTE-UHFFFAOYSA-N -1 3 351.244 2.909 20 5 FFBDHM C[C@H](c1ccccc1)n1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000618383298 1056546382 /nfs/dbraw/zinc/54/63/82/1056546382.db2.gz YOZLGLAATNBIHU-LLVKDONJSA-N -1 3 353.338 2.754 20 5 FFBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1n[n-]c(-c2ccco2)n1 ZINC001518424757 1058379302 /nfs/dbraw/zinc/37/93/02/1058379302.db2.gz IBSOOWFJBCIHMP-UHFFFAOYSA-N -1 3 365.708 2.947 20 5 FFBDHM COC(=O)c1cc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c([O-])c(OC)c1 ZINC001456748229 1060186956 /nfs/dbraw/zinc/18/69/56/1060186956.db2.gz RRGWGESYHQYUIY-UHFFFAOYSA-N -1 3 374.349 2.667 20 5 FFBDHM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ccc([O-])cc1F ZINC001546088573 1060306859 /nfs/dbraw/zinc/30/68/59/1060306859.db2.gz UJHKIDMXNNAILH-UHFFFAOYSA-N -1 3 351.265 2.789 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCCSc2ccccn2)c([N+](=O)[O-])s1 ZINC001475450331 1061096931 /nfs/dbraw/zinc/09/69/31/1061096931.db2.gz NAUHVYMOXWEELE-UHFFFAOYSA-N -1 3 373.481 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2)cc1 ZINC001475532672 1061128437 /nfs/dbraw/zinc/12/84/37/1061128437.db2.gz YIVAQTISPVWDID-UHFFFAOYSA-N -1 3 360.313 2.804 20 5 FFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC001475749050 1061253165 /nfs/dbraw/zinc/25/31/65/1061253165.db2.gz FDTLHQYLNNEWOX-IUCAKERBSA-N -1 3 350.849 2.811 20 5 FFBDHM COc1cc(C(=O)[N-]c2nc(C(C)(C)OC)ns2)ccc1[N+](=O)[O-] ZINC001462060130 1061492925 /nfs/dbraw/zinc/49/29/25/1061492925.db2.gz MKBCHPRCYYSEGV-UHFFFAOYSA-N -1 3 352.372 2.589 20 5 FFBDHM COc1ccc(F)c(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC001464131107 1062439689 /nfs/dbraw/zinc/43/96/89/1062439689.db2.gz WNRUWFRWMGLDIV-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2cnccn2n1 ZINC001532153589 1062987366 /nfs/dbraw/zinc/98/73/66/1062987366.db2.gz WMPHGWMBJANWDL-UHFFFAOYSA-N -1 3 358.383 2.785 20 5 FFBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1c1cccs1 ZINC001525239120 1063212602 /nfs/dbraw/zinc/21/26/02/1063212602.db2.gz FVUNZAGEIPRUDL-LLVKDONJSA-N -1 3 372.410 2.894 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001466687149 1063521343 /nfs/dbraw/zinc/52/13/43/1063521343.db2.gz HDXJJGKRYNJPIN-UHFFFAOYSA-N -1 3 369.790 2.663 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001471679715 1064755208 /nfs/dbraw/zinc/75/52/08/1064755208.db2.gz WZHYAUUGFKTGDU-UHFFFAOYSA-N -1 3 372.406 2.602 20 5 FFBDHM C[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001575415062 1078138526 /nfs/dbraw/zinc/13/85/26/1078138526.db2.gz CGJIXGZAXUDPDM-QMMMGPOBSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001575415062 1078138528 /nfs/dbraw/zinc/13/85/28/1078138528.db2.gz CGJIXGZAXUDPDM-QMMMGPOBSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCc2ccccc21 ZINC001576362479 1078220421 /nfs/dbraw/zinc/22/04/21/1078220421.db2.gz BEMDLDZHGFVVTL-LBPRGKRZSA-N -1 3 350.382 2.941 20 5 FFBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCc2ccccc21 ZINC001576362479 1078220424 /nfs/dbraw/zinc/22/04/24/1078220424.db2.gz BEMDLDZHGFVVTL-LBPRGKRZSA-N -1 3 350.382 2.941 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C12CCCC2 ZINC001475039109 1065682980 /nfs/dbraw/zinc/68/29/80/1065682980.db2.gz WSJQWQXUQLENHF-OLZOCXBDSA-N -1 3 374.484 2.981 20 5 FFBDHM COc1cccc(CSc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001580069895 1078744213 /nfs/dbraw/zinc/74/42/13/1078744213.db2.gz MNIIQPPSUHFUJO-UHFFFAOYSA-N -1 3 358.383 2.658 20 5 FFBDHM COc1cccc(CSc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001580069895 1078744215 /nfs/dbraw/zinc/74/42/15/1078744215.db2.gz MNIIQPPSUHFUJO-UHFFFAOYSA-N -1 3 358.383 2.658 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC001580614847 1078839031 /nfs/dbraw/zinc/83/90/31/1078839031.db2.gz PGDWDLITPFHMFS-UHFFFAOYSA-N -1 3 354.370 2.983 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC001580614847 1078839037 /nfs/dbraw/zinc/83/90/37/1078839037.db2.gz PGDWDLITPFHMFS-UHFFFAOYSA-N -1 3 354.370 2.983 20 5 FFBDHM Cc1cc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(-c2nnn[n-]2)c1 ZINC001580983708 1078902069 /nfs/dbraw/zinc/90/20/69/1078902069.db2.gz WTQVLLACBDAJRW-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1cc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(-c2nn[n-]n2)c1 ZINC001580983708 1078902073 /nfs/dbraw/zinc/90/20/73/1078902073.db2.gz WTQVLLACBDAJRW-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001581833961 1079003192 /nfs/dbraw/zinc/00/31/92/1079003192.db2.gz NINIBKGJSCFACO-UHFFFAOYSA-N -1 3 371.304 2.678 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001581833961 1079003197 /nfs/dbraw/zinc/00/31/97/1079003197.db2.gz NINIBKGJSCFACO-UHFFFAOYSA-N -1 3 371.304 2.678 20 5 FFBDHM O=[N+]([O-])c1cc2c(nc1NCCc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC001582803652 1079110296 /nfs/dbraw/zinc/11/02/96/1079110296.db2.gz PHYLUTCREQXCSS-UHFFFAOYSA-N -1 3 365.397 2.703 20 5 FFBDHM O=[N+]([O-])c1cc2c(nc1NCCc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC001582803652 1079110299 /nfs/dbraw/zinc/11/02/99/1079110299.db2.gz PHYLUTCREQXCSS-UHFFFAOYSA-N -1 3 365.397 2.703 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001582805099 1079111589 /nfs/dbraw/zinc/11/15/89/1079111589.db2.gz ZJTINTMPZMOBKA-GZMMTYOYSA-N -1 3 369.307 2.727 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CC=CC[C@H]2C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001582805099 1079111595 /nfs/dbraw/zinc/11/15/95/1079111595.db2.gz ZJTINTMPZMOBKA-GZMMTYOYSA-N -1 3 369.307 2.727 20 5 FFBDHM Cn1c(=O)oc2cc([N-]C(=O)c3cc(F)c([N+](=O)[O-])cc3F)c(F)cc21 ZINC001584539423 1079363683 /nfs/dbraw/zinc/36/36/83/1079363683.db2.gz ZXAHHSSOPMYTNQ-UHFFFAOYSA-N -1 3 367.239 2.709 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])s1 ZINC001561497014 1076384326 /nfs/dbraw/zinc/38/43/26/1076384326.db2.gz GOWBRZKFVVOIKU-NEPJUHHUSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)CC2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001561673350 1076405458 /nfs/dbraw/zinc/40/54/58/1076405458.db2.gz AQJJWLLYKBGSIT-CYBMUJFWSA-N -1 3 374.434 2.652 20 5 FFBDHM CC(=O)N(C)c1cccc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001588801933 1080202784 /nfs/dbraw/zinc/20/27/84/1080202784.db2.gz JHCHNNNSUHWZKO-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM CC(C)(C(=O)Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589064831 1080336783 /nfs/dbraw/zinc/33/67/83/1080336783.db2.gz VDHPYXWLDWIXGJ-UHFFFAOYSA-N -1 3 353.338 2.658 20 5 FFBDHM CC(C)(C(=O)Oc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589064831 1080336795 /nfs/dbraw/zinc/33/67/95/1080336795.db2.gz VDHPYXWLDWIXGJ-UHFFFAOYSA-N -1 3 353.338 2.658 20 5 FFBDHM CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCC1 ZINC001589149345 1080386383 /nfs/dbraw/zinc/38/63/83/1080386383.db2.gz OONRDFXAIFBWTF-UHFFFAOYSA-N -1 3 374.401 2.699 20 5 FFBDHM CC(C)(C)OC(=O)C1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCC1 ZINC001589149345 1080386391 /nfs/dbraw/zinc/38/63/91/1080386391.db2.gz OONRDFXAIFBWTF-UHFFFAOYSA-N -1 3 374.401 2.699 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001589202721 1080416122 /nfs/dbraw/zinc/41/61/22/1080416122.db2.gz NRRBGNYIRCVXQN-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001589202721 1080416128 /nfs/dbraw/zinc/41/61/28/1080416128.db2.gz NRRBGNYIRCVXQN-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccn2)cc1[N+](=O)[O-] ZINC001589226821 1080430994 /nfs/dbraw/zinc/43/09/94/1080430994.db2.gz FLYCVDVSSKPNTO-UHFFFAOYSA-N -1 3 367.369 2.720 20 5 FFBDHM CC(C)(C)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)cc1[N+](=O)[O-] ZINC001589226821 1080430999 /nfs/dbraw/zinc/43/09/99/1080430999.db2.gz FLYCVDVSSKPNTO-UHFFFAOYSA-N -1 3 367.369 2.720 20 5 FFBDHM CC(C)c1ccc(OCCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589769576 1080722697 /nfs/dbraw/zinc/72/26/97/1080722697.db2.gz PNRYAUFOYUBJQP-UHFFFAOYSA-N -1 3 369.385 2.784 20 5 FFBDHM CC(C)c1ccc(OCCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589769576 1080722701 /nfs/dbraw/zinc/72/27/01/1080722701.db2.gz PNRYAUFOYUBJQP-UHFFFAOYSA-N -1 3 369.385 2.784 20 5 FFBDHM C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920567 1080860816 /nfs/dbraw/zinc/86/08/16/1080860816.db2.gz XVKDQZIJLUPVDS-NWDGAFQWSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920567 1080860821 /nfs/dbraw/zinc/86/08/21/1080860821.db2.gz XVKDQZIJLUPVDS-NWDGAFQWSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC001589989797 1080925166 /nfs/dbraw/zinc/92/51/66/1080925166.db2.gz DFYAAPUCPGQIPO-VIFPVBQESA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC001589989797 1080925171 /nfs/dbraw/zinc/92/51/71/1080925171.db2.gz DFYAAPUCPGQIPO-VIFPVBQESA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001590033055 1080958461 /nfs/dbraw/zinc/95/84/61/1080958461.db2.gz MHOPUPMGPDYMEY-JTQLQIEISA-N -1 3 371.378 2.861 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001590033055 1080958471 /nfs/dbraw/zinc/95/84/71/1080958471.db2.gz MHOPUPMGPDYMEY-JTQLQIEISA-N -1 3 371.378 2.861 20 5 FFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001590043592 1080969775 /nfs/dbraw/zinc/96/97/75/1080969775.db2.gz JNENHVAVAHWBJJ-JTQLQIEISA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001590043592 1080969780 /nfs/dbraw/zinc/96/97/80/1080969780.db2.gz JNENHVAVAHWBJJ-JTQLQIEISA-N -1 3 370.344 2.747 20 5 FFBDHM CC1(C)C[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001590079104 1080993716 /nfs/dbraw/zinc/99/37/16/1080993716.db2.gz CIFUTNRLLMAKCT-VIFPVBQESA-N -1 3 350.354 2.531 20 5 FFBDHM CC1(C)C[C@@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001590079104 1080993722 /nfs/dbraw/zinc/99/37/22/1080993722.db2.gz CIFUTNRLLMAKCT-VIFPVBQESA-N -1 3 350.354 2.531 20 5 FFBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC001590106580 1081017414 /nfs/dbraw/zinc/01/74/14/1081017414.db2.gz UBSGXIKOZCLRLN-OAHLLOKOSA-N -1 3 351.370 2.757 20 5 FFBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC001590106580 1081017422 /nfs/dbraw/zinc/01/74/22/1081017422.db2.gz UBSGXIKOZCLRLN-OAHLLOKOSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@@H]1CC(C)(C)CN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590193531 1081084264 /nfs/dbraw/zinc/08/42/64/1081084264.db2.gz PASBUTHKUCIAKJ-SNVBAGLBSA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@@H]1CC(C)(C)CN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590193531 1081084274 /nfs/dbraw/zinc/08/42/74/1081084274.db2.gz PASBUTHKUCIAKJ-SNVBAGLBSA-N -1 3 353.386 2.948 20 5 FFBDHM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000273294522 252276072 /nfs/dbraw/zinc/27/60/72/252276072.db2.gz DBLYIFDTTAPYRE-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM CCOC(=O)c1nnc(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)[n-]1 ZINC000277680239 256225663 /nfs/dbraw/zinc/22/56/63/256225663.db2.gz CQZFBMMNNREBPE-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM CCOC(=O)c1nc(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)n[n-]1 ZINC000277680239 256225666 /nfs/dbraw/zinc/22/56/66/256225666.db2.gz CQZFBMMNNREBPE-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM CCOC(=O)c1n[n-]c(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC000277680239 256225668 /nfs/dbraw/zinc/22/56/68/256225668.db2.gz CQZFBMMNNREBPE-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM O=C([N-]c1nncn1C1CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000285781211 257004461 /nfs/dbraw/zinc/00/44/61/257004461.db2.gz LTDCTBKOUSRNOQ-UHFFFAOYSA-N -1 3 370.138 2.675 20 5 FFBDHM COc1cc(CNC[C@]2(C)OCCc3sccc32)c([N+](=O)[O-])cc1[O-] ZINC000289864844 257303673 /nfs/dbraw/zinc/30/36/73/257303673.db2.gz QPSQJPHNJTWEPE-KRWDZBQOSA-N -1 3 364.423 2.948 20 5 FFBDHM COCc1nc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000290910255 257363809 /nfs/dbraw/zinc/36/38/09/257363809.db2.gz ITDUVKYNJSMGRP-UHFFFAOYSA-N -1 3 357.338 2.606 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000330846918 258172050 /nfs/dbraw/zinc/17/20/50/258172050.db2.gz OISZMMJNSRJTLT-CMPLNLGQSA-N -1 3 360.457 2.556 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000064952575 506244378 /nfs/dbraw/zinc/24/43/78/506244378.db2.gz ZOYURDYQBZELHV-LLVKDONJSA-N -1 3 368.386 2.652 20 5 FFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000066000394 506409018 /nfs/dbraw/zinc/40/90/18/506409018.db2.gz FBPGYQJWBXZAGV-UHFFFAOYSA-N -1 3 372.424 2.542 20 5 FFBDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000044259876 506826794 /nfs/dbraw/zinc/82/67/94/506826794.db2.gz JVRGUALGSJILSN-UHFFFAOYSA-N -1 3 367.358 2.802 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2)c(Cl)c1 ZINC000055987420 506904041 /nfs/dbraw/zinc/90/40/41/506904041.db2.gz QLVXYVGSWMONCG-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000056068641 506922986 /nfs/dbraw/zinc/92/29/86/506922986.db2.gz LXUKCMABAUMGFG-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)c(F)c1 ZINC000057019614 507151918 /nfs/dbraw/zinc/15/19/18/507151918.db2.gz VWPKGXXWBSULAH-AWEZNQCLSA-N -1 3 354.334 2.839 20 5 FFBDHM COC(=O)c1sc2[n-]c(-c3cc([N+](=O)[O-])ccc3C)nc(=O)c2c1C ZINC000046703152 507177990 /nfs/dbraw/zinc/17/79/90/507177990.db2.gz ZOCIAPJVRKIPDC-UHFFFAOYSA-N -1 3 359.363 2.963 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000021869772 507269946 /nfs/dbraw/zinc/26/99/46/507269946.db2.gz DSDROIAINPIMPQ-UHFFFAOYSA-N -1 3 362.407 2.614 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000023396982 507350940 /nfs/dbraw/zinc/35/09/40/507350940.db2.gz HLWVVBAGLLNDGY-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000023396896 507351362 /nfs/dbraw/zinc/35/13/62/507351362.db2.gz KZUXSQXQXPASAC-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000023435411 507353335 /nfs/dbraw/zinc/35/33/35/507353335.db2.gz DWIYEBBUNZWVFY-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1ccc(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000024733404 507434001 /nfs/dbraw/zinc/43/40/01/507434001.db2.gz OXUZMANHKKXKTC-UHFFFAOYSA-N -1 3 364.379 2.536 20 5 FFBDHM O=[N+]([O-])c1sccc1N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000063257269 507706906 /nfs/dbraw/zinc/70/69/06/507706906.db2.gz MZUFRDHHBGJYAT-UHFFFAOYSA-N -1 3 373.481 2.665 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000072719093 507846175 /nfs/dbraw/zinc/84/61/75/507846175.db2.gz ODWUACJZHLJCKV-CYBMUJFWSA-N -1 3 362.835 2.732 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccc(Br)cc21 ZINC000112403237 508182393 /nfs/dbraw/zinc/18/23/93/508182393.db2.gz ZXPKZPNJJCCJKZ-UHFFFAOYSA-N -1 3 364.155 2.661 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000101582205 508248840 /nfs/dbraw/zinc/24/88/40/508248840.db2.gz JVLWVXGXCDTFCQ-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1nncn1-c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000133528288 508411928 /nfs/dbraw/zinc/41/19/28/508411928.db2.gz OIHNBNLOLKVDGR-UHFFFAOYSA-N -1 3 363.337 2.613 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000156675344 508461015 /nfs/dbraw/zinc/46/10/15/508461015.db2.gz UULJPSMVWTWOMK-BBRMVZONSA-N -1 3 355.394 2.551 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)c(F)c1 ZINC000116362549 508503261 /nfs/dbraw/zinc/50/32/61/508503261.db2.gz YGOMGDAHACTEHN-ZANVPECISA-N -1 3 372.324 2.847 20 5 FFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000116377627 508504537 /nfs/dbraw/zinc/50/45/37/508504537.db2.gz KPBXEFCZQAWGOJ-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1nc(C)cs1 ZINC000116378662 508505746 /nfs/dbraw/zinc/50/57/46/508505746.db2.gz IRBTWWXWEFPTNA-UHFFFAOYSA-N -1 3 371.440 2.582 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1nc(C)cs1 ZINC000116378818 508505775 /nfs/dbraw/zinc/50/57/75/508505775.db2.gz GNTRRTOEAPAXOI-UHFFFAOYSA-N -1 3 371.440 2.582 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000157336036 508554267 /nfs/dbraw/zinc/55/42/67/508554267.db2.gz BIELPFBVURLALQ-FHLIZLRMSA-N -1 3 374.418 2.610 20 5 FFBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000157887149 508627137 /nfs/dbraw/zinc/62/71/37/508627137.db2.gz UTDJSKODIBHCLH-ZETCQYMHSA-N -1 3 358.363 2.643 20 5 FFBDHM CCOCc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123068241 508631296 /nfs/dbraw/zinc/63/12/96/508631296.db2.gz DVTBMRRQMPZDRS-UHFFFAOYSA-N -1 3 370.452 2.980 20 5 FFBDHM 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350.396 2.649 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)c([N+](=O)[O-])c1 ZINC000193026751 509741245 /nfs/dbraw/zinc/74/12/45/509741245.db2.gz LLVSNVYXAXRWGG-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc2ncccc2c1 ZINC000193033144 509745746 /nfs/dbraw/zinc/74/57/46/509745746.db2.gz IUSVQJIHMKFZPZ-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000186585271 509785214 /nfs/dbraw/zinc/78/52/14/509785214.db2.gz VRRNGDGNBLTBFT-SUMWQHHRSA-N -1 3 363.439 2.565 20 5 FFBDHM CCN(CC)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186763052 509891058 /nfs/dbraw/zinc/89/10/58/509891058.db2.gz UBQFQDXJRIOQIQ-INIZCTEOSA-N -1 3 358.398 2.508 20 5 FFBDHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186813176 509904488 /nfs/dbraw/zinc/90/44/88/509904488.db2.gz PAJBXEQABSNSLK-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000180596853 510005276 /nfs/dbraw/zinc/00/52/76/510005276.db2.gz WOMUVLUGYRNJLC-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM CCc1nnc(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)o1 ZINC000193657345 510008969 /nfs/dbraw/zinc/00/89/69/510008969.db2.gz NOJWQFPMJZXKHT-UHFFFAOYSA-N -1 3 355.310 2.560 20 5 FFBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000193834081 510091645 /nfs/dbraw/zinc/09/16/45/510091645.db2.gz BCPBBFMGOZIXPL-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000265720214 510194895 /nfs/dbraw/zinc/19/48/95/510194895.db2.gz LYRCGCRIRUQSIJ-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM CC(C)Cn1cnc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000184250670 510217343 /nfs/dbraw/zinc/21/73/43/510217343.db2.gz FJFICZOWVJMGBB-UHFFFAOYSA-N -1 3 372.834 2.579 20 5 FFBDHM CN(Cc1ccccc1)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000187460460 510279459 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CN(C)CCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000350646792 511857248 /nfs/dbraw/zinc/85/72/48/511857248.db2.gz WKUFLACXUYXNPF-UHFFFAOYSA-N -1 3 370.365 2.958 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000391762706 512919036 /nfs/dbraw/zinc/91/90/36/512919036.db2.gz JWAAONBGUOXLEC-UHFFFAOYSA-N -1 3 350.249 2.952 20 5 FFBDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000435418891 513576329 /nfs/dbraw/zinc/57/63/29/513576329.db2.gz SJBNXZFMHPAZAY-LSDHHAIUSA-N -1 3 362.407 2.828 20 5 FFBDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000435426781 513581836 /nfs/dbraw/zinc/58/18/36/513581836.db2.gz JSHSNERFYVPURV-LSDHHAIUSA-N -1 3 362.407 2.828 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCCSC1 ZINC000416419962 513763947 /nfs/dbraw/zinc/76/39/47/513763947.db2.gz UYWRQWNEZDSGTQ-SECBINFHSA-N -1 3 370.374 2.788 20 5 FFBDHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)cn1C ZINC000416464230 513785696 /nfs/dbraw/zinc/78/56/96/513785696.db2.gz GZFCTSVIZFILQP-UHFFFAOYSA-N -1 3 372.834 2.584 20 5 FFBDHM COCC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416575742 513842614 /nfs/dbraw/zinc/84/26/14/513842614.db2.gz BUZOPGBTWFRSIS-SECBINFHSA-N -1 3 370.349 2.565 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1C1CC1 ZINC000416584604 513849009 /nfs/dbraw/zinc/84/90/09/513849009.db2.gz NKBHMEUKVQMIET-JSGCOSHPSA-N -1 3 354.428 2.708 20 5 FFBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])CC(F)(F)F ZINC000416589697 513851894 /nfs/dbraw/zinc/85/18/94/513851894.db2.gz GGDFBUSRWFJDML-SECBINFHSA-N -1 3 370.349 2.860 20 5 FFBDHM CC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)CC(F)(F)F ZINC000416599361 513857985 /nfs/dbraw/zinc/85/79/85/513857985.db2.gz QFXCVSPLKSJNAA-VIFPVBQESA-N -1 3 370.349 2.860 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451642399 513882236 /nfs/dbraw/zinc/88/22/36/513882236.db2.gz 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COC(=O)c1cc(NCc2cc(=O)[n-]c(C3CC3)n2)c(C)c([N+](=O)[O-])c1 ZINC000417029205 514129617 /nfs/dbraw/zinc/12/96/17/514129617.db2.gz NOJCEFMOBLZBIO-UHFFFAOYSA-N -1 3 358.354 2.675 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000452029549 514145761 /nfs/dbraw/zinc/14/57/61/514145761.db2.gz KDWKOEYQHZHHCO-UHFFFAOYSA-N -1 3 357.775 2.592 20 5 FFBDHM COC(=O)[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000449756248 514338467 /nfs/dbraw/zinc/33/84/67/514338467.db2.gz PFAPLIYTRKFGNX-IRXDYDNUSA-N -1 3 356.378 2.689 20 5 FFBDHM O=C(Nc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1)c1ccoc1 ZINC000445173926 514435368 /nfs/dbraw/zinc/43/53/68/514435368.db2.gz QMKKIFXBZIOQAT-UHFFFAOYSA-N -1 3 368.305 2.793 20 5 FFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000466590302 514702001 /nfs/dbraw/zinc/70/20/01/514702001.db2.gz ZKHWJDOIRGGKQT-GJZGRUSLSA-N -1 3 374.846 2.732 20 5 FFBDHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466862675 514805970 /nfs/dbraw/zinc/80/59/70/514805970.db2.gz WGARPLVZPMZVMQ-OCCSQVGLSA-N -1 3 362.835 2.730 20 5 FFBDHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1(C)C ZINC000466870634 514809014 /nfs/dbraw/zinc/80/90/14/514809014.db2.gz BKNCMPKBLNXSDM-HOCLYGCPSA-N -1 3 356.444 2.694 20 5 FFBDHM COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467073114 514887868 /nfs/dbraw/zinc/88/78/68/514887868.db2.gz QMPACJXDPLSVGS-ZDUSSCGKSA-N -1 3 370.452 2.501 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nnc(C(F)(F)F)[n-]2)nc1-c1ccccc1 ZINC000480301635 514914164 /nfs/dbraw/zinc/91/41/64/514914164.db2.gz PQOVTQPFOAHSNE-UHFFFAOYSA-N -1 3 364.287 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2n[n-]c(C(F)(F)F)n2)nc1-c1ccccc1 ZINC000480301635 514914171 /nfs/dbraw/zinc/91/41/71/514914171.db2.gz PQOVTQPFOAHSNE-UHFFFAOYSA-N -1 3 364.287 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)nc1-c1ccccc1 ZINC000480301635 514914182 /nfs/dbraw/zinc/91/41/82/514914182.db2.gz PQOVTQPFOAHSNE-UHFFFAOYSA-N -1 3 364.287 2.828 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000480416917 514949865 /nfs/dbraw/zinc/94/98/65/514949865.db2.gz DMMFSEQCKWZWTN-UHFFFAOYSA-N -1 3 354.762 2.880 20 5 FFBDHM Cn1ccnc1Sc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000485384796 515017191 /nfs/dbraw/zinc/01/71/91/515017191.db2.gz KOUNYLIBJINLRW-UHFFFAOYSA-N -1 3 371.378 2.832 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C12CCC2 ZINC000481062709 515191131 /nfs/dbraw/zinc/19/11/31/515191131.db2.gz RPNNVHQUVBFPDY-UONOGXRCSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000462710263 515205509 /nfs/dbraw/zinc/20/55/09/515205509.db2.gz LJZMFKZJGDNNDZ-JTQLQIEISA-N -1 3 356.375 2.935 20 5 FFBDHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509773716 515319481 /nfs/dbraw/zinc/31/94/81/515319481.db2.gz BGMCZXRTKYWBOS-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)COc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000509804363 515330279 /nfs/dbraw/zinc/33/02/79/515330279.db2.gz QLGCBXRMNLQCJG-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM CSc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])n[nH]3)n2)cc1 ZINC000499861070 515484341 /nfs/dbraw/zinc/48/43/41/515484341.db2.gz JVGKWCZTZZQVBW-UHFFFAOYSA-N -1 3 362.396 2.811 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000493557365 515644406 /nfs/dbraw/zinc/64/44/06/515644406.db2.gz ZTZQBHHLXIOXBA-GARJFASQSA-N -1 3 360.407 2.846 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)CC(C)(C)C ZINC000469123523 515680930 /nfs/dbraw/zinc/68/09/30/515680930.db2.gz ZYMBLVAXTPYBPA-UHFFFAOYSA-N -1 3 372.443 2.875 20 5 FFBDHM C[C@@H]1[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000493998979 515708826 /nfs/dbraw/zinc/70/88/26/515708826.db2.gz GWLRKXLMLPSGNS-ACJLOTCBSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(=O)c1ccccc1Cl ZINC000464190244 515735494 /nfs/dbraw/zinc/73/54/94/515735494.db2.gz UOYJTWZIJHKEQF-UHFFFAOYSA-N -1 3 368.798 2.718 20 5 FFBDHM CC(C)c1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000474363220 516011267 /nfs/dbraw/zinc/01/12/67/516011267.db2.gz NRSNRJYPMJKMMX-UHFFFAOYSA-N -1 3 354.313 2.727 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000507542617 516237419 /nfs/dbraw/zinc/23/74/19/516237419.db2.gz DDTJLUWQHRLMFD-ZDUSSCGKSA-N -1 3 369.468 2.546 20 5 FFBDHM COc1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)cc(Cl)cc1C(N)=O ZINC000501869362 516250847 /nfs/dbraw/zinc/25/08/47/516250847.db2.gz YANJORVLGYGVTF-UHFFFAOYSA-N -1 3 355.759 2.670 20 5 FFBDHM CC(C)(C)c1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000501949966 516272114 /nfs/dbraw/zinc/27/21/14/516272114.db2.gz TVIPGOFFDCJRRH-UHFFFAOYSA-N -1 3 371.393 2.966 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000561087718 516372016 /nfs/dbraw/zinc/37/20/16/516372016.db2.gz CJXLQOSWSVXFFG-UHFFFAOYSA-N -1 3 350.318 2.835 20 5 FFBDHM CCc1nc(C)c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)s1 ZINC000523163449 516399808 /nfs/dbraw/zinc/39/98/08/516399808.db2.gz MPZQVJZEDCRVAJ-UHFFFAOYSA-N -1 3 357.395 2.986 20 5 FFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(N3CCC3=O)cc2)s1 ZINC000543782266 516424648 /nfs/dbraw/zinc/42/46/48/516424648.db2.gz NNRJNUXPRPVRIW-UHFFFAOYSA-N -1 3 367.408 2.540 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000554441237 516438362 /nfs/dbraw/zinc/43/83/62/516438362.db2.gz DACQWZDAPSWZTB-UHFFFAOYSA-N -1 3 351.366 2.861 20 5 FFBDHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000517869616 516475118 /nfs/dbraw/zinc/47/51/18/516475118.db2.gz KIGUWFIOGKZBKC-UHFFFAOYSA-N -1 3 368.386 2.790 20 5 FFBDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000540484259 516577959 /nfs/dbraw/zinc/57/79/59/516577959.db2.gz CEDJLEGVBNCNSU-BZNIZROVSA-N -1 3 368.386 2.788 20 5 FFBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518788843 516775624 /nfs/dbraw/zinc/77/56/24/516775624.db2.gz LXCRCNGKBXZVNR-UHFFFAOYSA-N -1 3 363.370 2.954 20 5 FFBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000519067109 516871602 /nfs/dbraw/zinc/87/16/02/516871602.db2.gz HHKZLYPMYKCMCC-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000559139598 517094341 /nfs/dbraw/zinc/09/43/41/517094341.db2.gz FLOQUMVPGNJONS-ZETCQYMHSA-N -1 3 369.212 2.692 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c1C ZINC000537564999 517233255 /nfs/dbraw/zinc/23/32/55/517233255.db2.gz RGMUDQAGWVLCNS-CYBMUJFWSA-N -1 3 356.444 2.836 20 5 FFBDHM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN(C2CCC2)C1 ZINC000515851436 517495843 /nfs/dbraw/zinc/49/58/43/517495843.db2.gz OWACVOXLLRJSLZ-NSHDSACASA-N -1 3 367.833 2.900 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000538537050 517660636 /nfs/dbraw/zinc/66/06/36/517660636.db2.gz HYJFUNDHQGGSCV-KGLIPLIRSA-N -1 3 356.444 2.775 20 5 FFBDHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000553553510 517778591 /nfs/dbraw/zinc/77/85/91/517778591.db2.gz CWKOGMXKWYPNBP-LLVKDONJSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)cc1C ZINC000553571367 517790165 /nfs/dbraw/zinc/79/01/65/517790165.db2.gz IYVGZLCPJACKLC-UHFFFAOYSA-N -1 3 352.334 2.831 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000521664918 517817362 /nfs/dbraw/zinc/81/73/62/517817362.db2.gz CSSCNNSWUZFOFE-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000521769820 517850828 /nfs/dbraw/zinc/85/08/28/517850828.db2.gz DEHOPSBDGQFOBW-GFCCVEGCSA-N -1 3 373.450 2.523 20 5 FFBDHM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc([O-])ccc1C(F)(F)F ZINC000560613683 517931528 /nfs/dbraw/zinc/93/15/28/517931528.db2.gz LUMBFRSDCWBYRE-UHFFFAOYSA-N -1 3 366.255 2.870 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(CC3CCCCC3)CC2)n1 ZINC000516972957 517953288 /nfs/dbraw/zinc/95/32/88/517953288.db2.gz MKFRHEJQCGXKCI-UHFFFAOYSA-N -1 3 362.430 2.699 20 5 FFBDHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000539383494 518020547 /nfs/dbraw/zinc/02/05/47/518020547.db2.gz ARXSSAJHPKKABA-BZHVJNSISA-N -1 3 362.835 2.586 20 5 FFBDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000560991250 518111630 /nfs/dbraw/zinc/11/16/30/518111630.db2.gz DNELLXWBIORBEA-UHFFFAOYSA-N -1 3 357.366 2.574 20 5 FFBDHM Cc1cc(N2CCCN(CC(=O)[O-])CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000578774577 518367785 /nfs/dbraw/zinc/36/77/85/518367785.db2.gz GDROPKYUXKLPJJ-UHFFFAOYSA-N -1 3 361.320 2.519 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)cc1C ZINC000585739881 518580522 /nfs/dbraw/zinc/58/05/22/518580522.db2.gz XRTHUUFFYFCEIY-UHFFFAOYSA-N -1 3 374.422 2.609 20 5 FFBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000568074138 518861453 /nfs/dbraw/zinc/86/14/53/518861453.db2.gz XPFGJCYKMKSMCZ-IBGZPJMESA-N -1 3 367.361 2.964 20 5 FFBDHM Cc1ccc(NCCCNC(=O)c2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000565372070 518923445 /nfs/dbraw/zinc/92/34/45/518923445.db2.gz IIMBGDRPOALKNK-UHFFFAOYSA-N -1 3 371.397 2.508 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)c(C(F)(F)F)c1 ZINC000571545985 519150405 /nfs/dbraw/zinc/15/04/05/519150405.db2.gz UUVBHBDUCNTPAF-HTQZYQBOSA-N -1 3 356.297 2.783 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)cc1[N+](=O)[O-] ZINC000590764606 519357805 /nfs/dbraw/zinc/35/78/05/519357805.db2.gz CZQAVXCJBWEBIU-UHFFFAOYSA-N -1 3 370.399 2.793 20 5 FFBDHM COc1ccc(CN2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000575123051 519513405 /nfs/dbraw/zinc/51/34/05/519513405.db2.gz RFIHKQWVDLLLDI-CVEARBPZSA-N -1 3 356.378 2.904 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594484096 519993074 /nfs/dbraw/zinc/99/30/74/519993074.db2.gz SAJZTWDXWISUML-GJZGRUSLSA-N -1 3 367.471 2.507 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594486510 519996738 /nfs/dbraw/zinc/99/67/38/519996738.db2.gz GZAPQLPSMSUSJY-WCQYABFASA-N -1 3 362.835 2.874 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594486511 519997208 /nfs/dbraw/zinc/99/72/08/519997208.db2.gz GZAPQLPSMSUSJY-YPMHNXCESA-N -1 3 362.835 2.874 20 5 FFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCCS1 ZINC000594757388 520137694 /nfs/dbraw/zinc/13/76/94/520137694.db2.gz COQOMTUKMYOBBI-OAHLLOKOSA-N -1 3 367.452 2.707 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@@H]1C ZINC000594832241 520178417 /nfs/dbraw/zinc/17/84/17/520178417.db2.gz INLOXGSSDOCBKF-SMDDNHRTSA-N -1 3 362.407 2.610 20 5 FFBDHM CC(C)(C)CCCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000609197473 520228477 /nfs/dbraw/zinc/22/84/77/520228477.db2.gz RWRLGESUPOIBCI-UHFFFAOYSA-N -1 3 372.443 2.861 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCOc2ccccc2C)c([N+](=O)[O-])c1 ZINC000609199320 520229977 /nfs/dbraw/zinc/22/99/77/520229977.db2.gz SXQNSZBNFRTLHG-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM COc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000604019196 520429451 /nfs/dbraw/zinc/42/94/51/520429451.db2.gz RWGKHRREHQHRBR-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604043179 520435485 /nfs/dbraw/zinc/43/54/85/520435485.db2.gz XGGHKAHNSQSMPA-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000595414464 520454579 /nfs/dbraw/zinc/45/45/79/520454579.db2.gz KCXCEQLZEWEKGZ-LBPRGKRZSA-N -1 3 362.407 2.959 20 5 FFBDHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609927568 520483762 /nfs/dbraw/zinc/48/37/62/520483762.db2.gz DDQKNEPHCFLTKV-UHFFFAOYSA-N -1 3 373.365 2.753 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000613474198 520519618 /nfs/dbraw/zinc/51/96/18/520519618.db2.gz NDZCEXYCFMVUJY-CQSZACIVSA-N -1 3 368.436 2.557 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000595524910 520528680 /nfs/dbraw/zinc/52/86/80/520528680.db2.gz AKARWANDTCUGCM-UHFFFAOYSA-N -1 3 373.413 2.561 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610265360 520611015 /nfs/dbraw/zinc/61/10/15/520611015.db2.gz FLTUTQOKGGCZPM-IAGOWNOFSA-N -1 3 362.407 2.612 20 5 FFBDHM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610265754 520611151 /nfs/dbraw/zinc/61/11/51/520611151.db2.gz ZMLWYTXUBGAECH-HZPDHXFCSA-N -1 3 350.371 2.742 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610265359 520611506 /nfs/dbraw/zinc/61/15/06/520611506.db2.gz FLTUTQOKGGCZPM-DLBZAZTESA-N -1 3 362.407 2.612 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c(C)c1[N+](=O)[O-] ZINC000598734019 520815723 /nfs/dbraw/zinc/81/57/23/520815723.db2.gz IBKUZZIIDXZVTB-UHFFFAOYSA-N -1 3 352.334 2.975 20 5 FFBDHM C[C@@H]1CN(Cc2cccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])c2)CCO1 ZINC000596087634 520904685 /nfs/dbraw/zinc/90/46/85/520904685.db2.gz IZAXVQHKBSGYID-CYBMUJFWSA-N -1 3 358.398 2.528 20 5 FFBDHM O=C(Nc1cccc(F)c1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596101861 520912562 /nfs/dbraw/zinc/91/25/62/520912562.db2.gz LPIDGZWKAHGIFK-UHFFFAOYSA-N -1 3 360.345 2.690 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCC2)nc1 ZINC000593568427 521081755 /nfs/dbraw/zinc/08/17/55/521081755.db2.gz HCKUZECDMFZOFW-UHFFFAOYSA-N -1 3 369.349 2.626 20 5 FFBDHM Cc1ccccc1CN1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000611553904 521216031 /nfs/dbraw/zinc/21/60/31/521216031.db2.gz ZGWGFUJGLVLXDZ-UHFFFAOYSA-N -1 3 369.421 2.957 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1 ZINC000611619190 521252924 /nfs/dbraw/zinc/25/29/24/521252924.db2.gz JQXPOWIMGHYJLS-MRVPVSSYSA-N -1 3 359.766 2.822 20 5 FFBDHM COc1cc(CNc2ccc(C(N)=O)c(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000618890457 521280975 /nfs/dbraw/zinc/28/09/75/521280975.db2.gz FSEJZSBUPCLTDF-UHFFFAOYSA-N -1 3 351.746 2.673 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000612140679 521503506 /nfs/dbraw/zinc/50/35/06/521503506.db2.gz WILBBJYCIUXBRP-UHFFFAOYSA-N -1 3 364.370 2.850 20 5 FFBDHM CN(CCc1ccc(Cl)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736804857 598829878 /nfs/dbraw/zinc/82/98/78/598829878.db2.gz YVVQYYJGGKOHHC-UHFFFAOYSA-N -1 3 359.777 2.502 20 5 FFBDHM CN(CCc1ccc(Cl)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736804857 598829880 /nfs/dbraw/zinc/82/98/80/598829880.db2.gz YVVQYYJGGKOHHC-UHFFFAOYSA-N -1 3 359.777 2.502 20 5 FFBDHM Cc1ccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822259052 599068322 /nfs/dbraw/zinc/06/83/22/599068322.db2.gz LBBSRLAYDXUVDI-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1ccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822259052 599068325 /nfs/dbraw/zinc/06/83/25/599068325.db2.gz LBBSRLAYDXUVDI-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1cccc2oc(CCNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])nc21 ZINC000822340787 599111392 /nfs/dbraw/zinc/11/13/92/599111392.db2.gz HUABQWGOAWHIPS-UHFFFAOYSA-N -1 3 365.353 2.879 20 5 FFBDHM Cc1cccc2oc(CCNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])nc21 ZINC000822340787 599111394 /nfs/dbraw/zinc/11/13/94/599111394.db2.gz HUABQWGOAWHIPS-UHFFFAOYSA-N -1 3 365.353 2.879 20 5 FFBDHM C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404456 599238856 /nfs/dbraw/zinc/23/88/56/599238856.db2.gz VPMKZQVJSJJOOJ-SNVBAGLBSA-N -1 3 369.410 2.823 20 5 FFBDHM C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404456 599238857 /nfs/dbraw/zinc/23/88/57/599238857.db2.gz VPMKZQVJSJJOOJ-SNVBAGLBSA-N -1 3 369.410 2.823 20 5 FFBDHM Cc1cc(F)cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1[N+](=O)[O-] ZINC000822203120 607322159 /nfs/dbraw/zinc/32/21/59/607322159.db2.gz FSUFPZJJANGKMF-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(F)cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1[N+](=O)[O-] ZINC000822203120 607322160 /nfs/dbraw/zinc/32/21/60/607322160.db2.gz FSUFPZJJANGKMF-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737283634 598289815 /nfs/dbraw/zinc/28/98/15/598289815.db2.gz UYQRYHGSHYTEQT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737283634 598289816 /nfs/dbraw/zinc/28/98/16/598289816.db2.gz UYQRYHGSHYTEQT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000737359476 598322263 /nfs/dbraw/zinc/32/22/63/598322263.db2.gz HAGYHDPOTLKXQY-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000737359476 598322265 /nfs/dbraw/zinc/32/22/65/598322265.db2.gz HAGYHDPOTLKXQY-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1ccccc1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000737424757 598386561 /nfs/dbraw/zinc/38/65/61/598386561.db2.gz WQANRORHWCVGLQ-UHFFFAOYSA-N -1 3 365.397 2.862 20 5 FFBDHM Cc1ccccc1C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737424757 598386563 /nfs/dbraw/zinc/38/65/63/598386563.db2.gz WQANRORHWCVGLQ-UHFFFAOYSA-N -1 3 365.397 2.862 20 5 FFBDHM COc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737072105 598489699 /nfs/dbraw/zinc/48/96/99/598489699.db2.gz PPEBDIGIEHSOKR-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737072105 598489700 /nfs/dbraw/zinc/48/97/00/598489700.db2.gz PPEBDIGIEHSOKR-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM CCOc1ccccc1CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736653065 598520870 /nfs/dbraw/zinc/52/08/70/598520870.db2.gz FIEFBJTTZQKHIQ-UHFFFAOYSA-N -1 3 354.370 2.828 20 5 FFBDHM CCOc1ccccc1CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736653065 598520872 /nfs/dbraw/zinc/52/08/72/598520872.db2.gz FIEFBJTTZQKHIQ-UHFFFAOYSA-N -1 3 354.370 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCOc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738370888 598538814 /nfs/dbraw/zinc/53/88/14/598538814.db2.gz RNRCGMSEOZIQDI-NSHDSACASA-N -1 3 352.354 2.753 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCOc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000738370888 598538815 /nfs/dbraw/zinc/53/88/15/598538815.db2.gz RNRCGMSEOZIQDI-NSHDSACASA-N -1 3 352.354 2.753 20 5 FFBDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000736679316 598567820 /nfs/dbraw/zinc/56/78/20/598567820.db2.gz RJECSDKEXLRHLT-UHFFFAOYSA-N -1 3 362.346 2.790 20 5 FFBDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000736679316 598567821 /nfs/dbraw/zinc/56/78/21/598567821.db2.gz RJECSDKEXLRHLT-UHFFFAOYSA-N -1 3 362.346 2.790 20 5 FFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000736818477 598650542 /nfs/dbraw/zinc/65/05/42/598650542.db2.gz QNUUILSWHILPHB-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000736818477 598650543 /nfs/dbraw/zinc/65/05/43/598650543.db2.gz QNUUILSWHILPHB-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM C[C@H]1c2ccccc2OCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736303963 598668980 /nfs/dbraw/zinc/66/89/80/598668980.db2.gz MEONAGOYFAWFOL-NSHDSACASA-N -1 3 352.354 2.735 20 5 FFBDHM C[C@H]1c2ccccc2OCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736303963 598668982 /nfs/dbraw/zinc/66/89/82/598668982.db2.gz MEONAGOYFAWFOL-NSHDSACASA-N -1 3 352.354 2.735 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322162 599498783 /nfs/dbraw/zinc/49/87/83/599498783.db2.gz RLXXRSOTUDDWLS-MQGYJPLLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322162 599498785 /nfs/dbraw/zinc/49/87/85/599498785.db2.gz RLXXRSOTUDDWLS-MQGYJPLLSA-N -1 3 364.365 2.666 20 5 FFBDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822169180 599517708 /nfs/dbraw/zinc/51/77/08/599517708.db2.gz YVSXHZJSRHIINU-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822169180 599517710 /nfs/dbraw/zinc/51/77/10/599517710.db2.gz YVSXHZJSRHIINU-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820392205 599524609 /nfs/dbraw/zinc/52/46/09/599524609.db2.gz SJGFWPYCSQGRMM-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820392205 599524612 /nfs/dbraw/zinc/52/46/12/599524612.db2.gz SJGFWPYCSQGRMM-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826473899 607595085 /nfs/dbraw/zinc/59/50/85/607595085.db2.gz SOFYKFICSYPKAM-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826473899 607595086 /nfs/dbraw/zinc/59/50/86/607595086.db2.gz SOFYKFICSYPKAM-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM C[C@@]1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833570893 604813691 /nfs/dbraw/zinc/81/36/91/604813691.db2.gz VGDIGTLPVHQHDB-CXAGYDPISA-N -1 3 360.370 2.768 20 5 FFBDHM C[C@@]1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833568383 604814743 /nfs/dbraw/zinc/81/47/43/604814743.db2.gz DKRJNQFADSXWEJ-SUMWQHHRSA-N -1 3 360.370 2.768 20 5 FFBDHM CCCCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821072171 606402578 /nfs/dbraw/zinc/40/25/78/606402578.db2.gz RNFAWSYZTMMSCP-CHWSQXEVSA-N -1 3 361.406 2.566 20 5 FFBDHM CCCCO[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821072171 606402579 /nfs/dbraw/zinc/40/25/79/606402579.db2.gz RNFAWSYZTMMSCP-CHWSQXEVSA-N -1 3 361.406 2.566 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822229527 606543145 /nfs/dbraw/zinc/54/31/45/606543145.db2.gz WNAIRUWGHBMZNB-SECBINFHSA-N -1 3 358.383 2.636 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822229527 606543146 /nfs/dbraw/zinc/54/31/46/606543146.db2.gz WNAIRUWGHBMZNB-SECBINFHSA-N -1 3 358.383 2.636 20 5 FFBDHM Cn1cc([C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C(C)(C)C)cn1 ZINC000822669096 606643778 /nfs/dbraw/zinc/64/37/78/606643778.db2.gz GDUOMVCOWMCFJT-CQSZACIVSA-N -1 3 356.390 2.708 20 5 FFBDHM Cn1cc([C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C(C)(C)C)cn1 ZINC000822669096 606643779 /nfs/dbraw/zinc/64/37/79/606643779.db2.gz GDUOMVCOWMCFJT-CQSZACIVSA-N -1 3 356.390 2.708 20 5 FFBDHM O=[N+]([O-])c1cc(N2CCC(c3ccc(O)cc3)CC2)ccc1-c1nnn[n-]1 ZINC000823634963 606645244 /nfs/dbraw/zinc/64/52/44/606645244.db2.gz OZBRQYHMHZKIPG-UHFFFAOYSA-N -1 3 366.381 2.865 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639531 606725557 /nfs/dbraw/zinc/72/55/57/606725557.db2.gz CKECJEQLCHXMAL-AWEZNQCLSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC[C@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639531 606725558 /nfs/dbraw/zinc/72/55/58/606725558.db2.gz CKECJEQLCHXMAL-AWEZNQCLSA-N -1 3 365.397 2.856 20 5 FFBDHM Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)n(C)c21 ZINC000822341044 606832293 /nfs/dbraw/zinc/83/22/93/606832293.db2.gz RWMGNOARLPVPOD-UHFFFAOYSA-N -1 3 364.369 2.582 20 5 FFBDHM Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)n(C)c21 ZINC000822341044 606832295 /nfs/dbraw/zinc/83/22/95/606832295.db2.gz RWMGNOARLPVPOD-UHFFFAOYSA-N -1 3 364.369 2.582 20 5 FFBDHM CC[C@@]1(C)CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820950289 606949190 /nfs/dbraw/zinc/94/91/90/606949190.db2.gz LSUMMGCYRKNQND-KRWDZBQOSA-N -1 3 353.386 2.950 20 5 FFBDHM CC[C@@]1(C)CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820950289 606949191 /nfs/dbraw/zinc/94/91/91/606949191.db2.gz LSUMMGCYRKNQND-KRWDZBQOSA-N -1 3 353.386 2.950 20 5 FFBDHM COCCC1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821686861 607175497 /nfs/dbraw/zinc/17/54/97/607175497.db2.gz CJVOXKXBNAZADS-UHFFFAOYSA-N -1 3 369.385 2.552 20 5 FFBDHM COCCC1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000821686861 607175498 /nfs/dbraw/zinc/17/54/98/607175498.db2.gz CJVOXKXBNAZADS-UHFFFAOYSA-N -1 3 369.385 2.552 20 5 FFBDHM O=[N+]([O-])c1cccc([C@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826499710 607878398 /nfs/dbraw/zinc/87/83/98/607878398.db2.gz UFNKHCNFTYTKGI-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc([C@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000826499710 607878399 /nfs/dbraw/zinc/87/83/99/607878399.db2.gz UFNKHCNFTYTKGI-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826304228 608053104 /nfs/dbraw/zinc/05/31/04/608053104.db2.gz CVCNEBFHHDNPNE-INIZCTEOSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826304228 608053105 /nfs/dbraw/zinc/05/31/05/608053105.db2.gz CVCNEBFHHDNPNE-INIZCTEOSA-N -1 3 366.381 2.661 20 5 FFBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826464378 608143606 /nfs/dbraw/zinc/14/36/06/608143606.db2.gz UQRWVVMFHFGKOT-UHFFFAOYSA-N -1 3 371.378 2.724 20 5 FFBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826464378 608143607 /nfs/dbraw/zinc/14/36/07/608143607.db2.gz UQRWVVMFHFGKOT-UHFFFAOYSA-N -1 3 371.378 2.724 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccco1 ZINC000824045111 608159004 /nfs/dbraw/zinc/15/90/04/608159004.db2.gz GNRUTTZYHQUNNQ-SSDOTTSWSA-N -1 3 362.733 2.764 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccco1 ZINC000824045111 608159006 /nfs/dbraw/zinc/15/90/06/608159006.db2.gz GNRUTTZYHQUNNQ-SSDOTTSWSA-N -1 3 362.733 2.764 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(Cc3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500714 608194756 /nfs/dbraw/zinc/19/47/56/608194756.db2.gz JMPRZJPWOLPATN-UHFFFAOYSA-N -1 3 369.360 2.744 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(Cc3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500714 608194758 /nfs/dbraw/zinc/19/47/58/608194758.db2.gz JMPRZJPWOLPATN-UHFFFAOYSA-N -1 3 369.360 2.744 20 5 FFBDHM O=[N+]([O-])c1ccc(CCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826498475 608277982 /nfs/dbraw/zinc/27/79/82/608277982.db2.gz WOTFIISBJQXQNT-UHFFFAOYSA-N -1 3 365.397 2.703 20 5 FFBDHM O=[N+]([O-])c1ccc(CCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826498475 608277983 /nfs/dbraw/zinc/27/79/83/608277983.db2.gz WOTFIISBJQXQNT-UHFFFAOYSA-N -1 3 365.397 2.703 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824658518 608416250 /nfs/dbraw/zinc/41/62/50/608416250.db2.gz XPLPTEIMPCCSSY-SECBINFHSA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824658518 608416251 /nfs/dbraw/zinc/41/62/51/608416251.db2.gz XPLPTEIMPCCSSY-SECBINFHSA-N -1 3 355.314 2.856 20 5 FFBDHM Cc1nc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826327212 608441832 /nfs/dbraw/zinc/44/18/32/608441832.db2.gz XVRCRNQZTLQBJG-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1nc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826327212 608441834 /nfs/dbraw/zinc/44/18/34/608441834.db2.gz XVRCRNQZTLQBJG-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM CCC(CC)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000825107503 609322042 /nfs/dbraw/zinc/32/20/42/609322042.db2.gz POUYFFUBAQRSLL-BXUZGUMPSA-N -1 3 361.406 2.566 20 5 FFBDHM CCC(CC)[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000825107503 609322044 /nfs/dbraw/zinc/32/20/44/609322044.db2.gz POUYFFUBAQRSLL-BXUZGUMPSA-N -1 3 361.406 2.566 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826465823 609340591 /nfs/dbraw/zinc/34/05/91/609340591.db2.gz FANURXRYMRUWSS-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826465823 609340594 /nfs/dbraw/zinc/34/05/94/609340594.db2.gz FANURXRYMRUWSS-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=[N+]([O-])c1ccc2ncnc(Sc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000826499702 609438602 /nfs/dbraw/zinc/43/86/02/609438602.db2.gz SVZQNHGLPOEXIW-UHFFFAOYSA-N -1 3 351.351 2.869 20 5 FFBDHM O=[N+]([O-])c1ccc2ncnc(Sc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000826499702 609438604 /nfs/dbraw/zinc/43/86/04/609438604.db2.gz SVZQNHGLPOEXIW-UHFFFAOYSA-N -1 3 351.351 2.869 20 5 FFBDHM CC(=CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823944179 609498986 /nfs/dbraw/zinc/49/89/86/609498986.db2.gz ZMTNQJUQGIVPJL-CSKARUKUSA-N -1 3 368.328 2.956 20 5 FFBDHM CC(=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823944179 609498987 /nfs/dbraw/zinc/49/89/87/609498987.db2.gz ZMTNQJUQGIVPJL-CSKARUKUSA-N -1 3 368.328 2.956 20 5 FFBDHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n1 ZINC000154309505 728801483 /nfs/dbraw/zinc/80/14/83/728801483.db2.gz GPJISFJUCWVQGN-VIFPVBQESA-N -1 3 359.404 2.847 20 5 FFBDHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000132391885 728724417 /nfs/dbraw/zinc/72/44/17/728724417.db2.gz MINXZKYCAVALGK-SECBINFHSA-N -1 3 359.404 2.847 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000575442518 729981546 /nfs/dbraw/zinc/98/15/46/729981546.db2.gz UWLYDWYRUXDRRY-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c1 ZINC000856748173 730354180 /nfs/dbraw/zinc/35/41/80/730354180.db2.gz ZBNNNHWLJXQDFW-QMMMGPOBSA-N -1 3 354.762 2.880 20 5 FFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)cs1 ZINC000867848086 731233592 /nfs/dbraw/zinc/23/35/92/731233592.db2.gz LBXTWSWATCWIOU-RKDXNWHRSA-N -1 3 356.347 2.832 20 5 FFBDHM COc1c([O-])ccc(CN2CCO[C@H](c3cccs3)C2)c1[N+](=O)[O-] ZINC000891826289 734480540 /nfs/dbraw/zinc/48/05/40/734480540.db2.gz OMTPFNXOLJJXFA-ZDUSSCGKSA-N -1 3 350.396 2.944 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000766205925 737207661 /nfs/dbraw/zinc/20/76/61/737207661.db2.gz ATHJAKXEQPTYRY-ZDUSSCGKSA-N -1 3 373.862 2.543 20 5 FFBDHM CC(C)=CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790888458 739509329 /nfs/dbraw/zinc/50/93/29/739509329.db2.gz IUDZSTMEHQZUHH-UHFFFAOYSA-N -1 3 363.233 2.992 20 5 FFBDHM COC(=O)c1cc(C(=O)OCCSc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000816014022 741984796 /nfs/dbraw/zinc/98/47/96/741984796.db2.gz KQBVZMPJGSRRMP-UHFFFAOYSA-N -1 3 350.352 2.659 20 5 FFBDHM Cc1cc(Cl)c(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000828877990 745131567 /nfs/dbraw/zinc/13/15/67/745131567.db2.gz ZYYZLHKPZZTYII-UHFFFAOYSA-N -1 3 363.683 2.624 20 5 FFBDHM O=C([N-]Cc1nnc(C2CC2)s1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000839906610 746959107 /nfs/dbraw/zinc/95/91/07/746959107.db2.gz OCEXGBADRDZYHV-UHFFFAOYSA-N -1 3 354.338 2.732 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CC2(Cl)Cl)c(F)c1 ZINC000846022903 748386334 /nfs/dbraw/zinc/38/63/34/748386334.db2.gz VDMDZYPMKNZTLO-MRVPVSSYSA-N -1 3 371.217 2.986 20 5 FFBDHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853252810 750039053 /nfs/dbraw/zinc/03/90/53/750039053.db2.gz SUDUKPWTAJOQQS-NSHDSACASA-N -1 3 352.391 2.531 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853514552 750079508 /nfs/dbraw/zinc/07/95/08/750079508.db2.gz ORZNQXYWCYBPAT-GHMZBOCLSA-N -1 3 352.391 2.943 20 5 FFBDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000853698687 750138673 /nfs/dbraw/zinc/13/86/73/750138673.db2.gz RTMVCCCHGRXZQB-MNOVXSKESA-N -1 3 352.391 2.799 20 5 FFBDHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000737946222 945165323 /nfs/dbraw/zinc/16/53/23/945165323.db2.gz CGJMXJVGYCQAQR-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000737946222 945165332 /nfs/dbraw/zinc/16/53/32/945165332.db2.gz CGJMXJVGYCQAQR-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM CN(Cc1ccccc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736828623 944897668 /nfs/dbraw/zinc/89/76/68/944897668.db2.gz PNARYRPMYLJVRN-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM CN(Cc1ccccc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736828623 944897671 /nfs/dbraw/zinc/89/76/71/944897671.db2.gz PNARYRPMYLJVRN-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM Cc1cc(F)cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203166 945989168 /nfs/dbraw/zinc/98/91/68/945989168.db2.gz HRWILMLEOLMJLE-JTQLQIEISA-N -1 3 370.344 2.713 20 5 FFBDHM Cc1cc(F)cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203166 945989177 /nfs/dbraw/zinc/98/91/77/945989177.db2.gz HRWILMLEOLMJLE-JTQLQIEISA-N -1 3 370.344 2.713 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000826242765 947720045 /nfs/dbraw/zinc/72/00/45/947720045.db2.gz FKSULZPJPYEWEU-OAHLLOKOSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000826253688 947731482 /nfs/dbraw/zinc/73/14/82/947731482.db2.gz YYTJORAIJCZZGV-UHFFFAOYSA-N -1 3 367.365 2.759 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000826253688 947731488 /nfs/dbraw/zinc/73/14/88/947731488.db2.gz YYTJORAIJCZZGV-UHFFFAOYSA-N -1 3 367.365 2.759 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001596811529 985364045 /nfs/dbraw/zinc/36/40/45/985364045.db2.gz VUSHGPNGLBPRKQ-HOTGVXAUSA-N -1 3 366.414 2.694 20 5 FFBDHM COC(=O)C=Cc1ccc(NCc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC000775541966 1004238393 /nfs/dbraw/zinc/23/83/93/1004238393.db2.gz IOHIBBSIUZPWEZ-HYXAFXHYSA-N -1 3 371.275 2.530 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)cc(Cl)c2C(=O)OC)n1 ZINC001130819766 1004494643 /nfs/dbraw/zinc/49/46/43/1004494643.db2.gz GFESXPMXTYMHQB-UHFFFAOYSA-N -1 3 370.724 2.643 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC23CCOCC3)c(F)cc1[N+](=O)[O-] ZINC001193792731 1004572840 /nfs/dbraw/zinc/57/28/40/1004572840.db2.gz KJMTVWQAKFSMCQ-LBPRGKRZSA-N -1 3 372.418 2.527 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC001194097881 1004659283 /nfs/dbraw/zinc/65/92/83/1004659283.db2.gz SCMCRWJKGHXNPC-OAHLLOKOSA-N -1 3 362.407 2.676 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2c(C)cc(CO)cc2C)c([N+](=O)[O-])s1 ZINC001195076103 1004886345 /nfs/dbraw/zinc/88/63/45/1004886345.db2.gz NSDAVRJIWCWNKH-UHFFFAOYSA-N -1 3 370.452 2.552 20 5 FFBDHM O=c1[n-]c(CNc2ccc([N+](=O)[O-])cc2C(F)F)nc2c1COCC2 ZINC001187404524 1006061888 /nfs/dbraw/zinc/06/18/88/1006061888.db2.gz JYCVIKWAKGRVCN-UHFFFAOYSA-N -1 3 352.297 2.713 20 5 FFBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000853411428 1006388213 /nfs/dbraw/zinc/38/82/13/1006388213.db2.gz MDXWPNWYXUCKNH-UHFFFAOYSA-N -1 3 366.418 2.968 20 5 FFBDHM COc1ccccc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212837411 1009475335 /nfs/dbraw/zinc/47/53/35/1009475335.db2.gz JYZXLOMREGLCES-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM COc1ccccc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212837411 1009475341 /nfs/dbraw/zinc/47/53/41/1009475341.db2.gz JYZXLOMREGLCES-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000777914942 1020059702 /nfs/dbraw/zinc/05/97/02/1020059702.db2.gz GKEGVHOSVPMTLU-SNVBAGLBSA-N -1 3 361.308 2.607 20 5 FFBDHM Cc1nc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc2o1 ZINC001116938014 1021498694 /nfs/dbraw/zinc/49/86/94/1021498694.db2.gz FHDVFICHNFTGNT-UHFFFAOYSA-N -1 3 351.315 2.984 20 5 FFBDHM Cc1cccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC001158784018 1027136642 /nfs/dbraw/zinc/13/66/42/1027136642.db2.gz NKXCIRLPDNEFMA-JOCQHMNTSA-N -1 3 356.382 2.855 20 5 FFBDHM C[C@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC001154797288 1028459219 /nfs/dbraw/zinc/45/92/19/1028459219.db2.gz NAGKRLYLBSHDCE-VIFPVBQESA-N -1 3 360.345 2.527 20 5 FFBDHM O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001164035878 1029152057 /nfs/dbraw/zinc/15/20/57/1029152057.db2.gz BYOQUCFZYLSNDM-OLZOCXBDSA-N -1 3 353.806 2.701 20 5 FFBDHM O=C(N[C@@H]1CCCN2CCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001164035877 1029152167 /nfs/dbraw/zinc/15/21/67/1029152167.db2.gz BYOQUCFZYLSNDM-CHWSQXEVSA-N -1 3 353.806 2.701 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC001150395205 1031709423 /nfs/dbraw/zinc/70/94/23/1031709423.db2.gz JNGBMNVTEUJNEY-UHFFFAOYSA-N -1 3 366.171 2.696 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664085 1034356815 /nfs/dbraw/zinc/35/68/15/1034356815.db2.gz JDDVUTNWCQVNKC-GFCCVEGCSA-N -1 3 365.386 2.864 20 5 FFBDHM CCCCOC[C@H](C)OC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690214 1035676092 /nfs/dbraw/zinc/67/60/92/1035676092.db2.gz HEMZUGFTEQMPBA-RYUDHWBXSA-N -1 3 352.391 2.855 20 5 FFBDHM O=[N+]([O-])c1cnc(OC[C@@H]2CCC(c3ccccc3)=NO2)c2[n-]cnc21 ZINC001227694335 1035678031 /nfs/dbraw/zinc/67/80/31/1035678031.db2.gz GRMRQTIAJJBNJA-LBPRGKRZSA-N -1 3 353.338 2.828 20 5 FFBDHM O=c1nc2cccnc2c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[n-]1 ZINC001228008465 1035872252 /nfs/dbraw/zinc/87/22/52/1035872252.db2.gz OCNNXVOLTGLTEX-UHFFFAOYSA-N -1 3 367.365 2.686 20 5 FFBDHM Cc1[n-]c(=O)cc(OC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228686862 1036256470 /nfs/dbraw/zinc/25/64/70/1036256470.db2.gz RQDWZBAXDOKBPE-UHFFFAOYSA-N -1 3 365.386 2.782 20 5 FFBDHM Cc1[n-]c(=O)cc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001228686902 1036257533 /nfs/dbraw/zinc/25/75/33/1036257533.db2.gz RYWRONLTROACTK-UHFFFAOYSA-N -1 3 353.375 2.782 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3n[n-]c(-c4ccncc4)n3)CC2)cc1 ZINC001228697354 1036267154 /nfs/dbraw/zinc/26/71/54/1036267154.db2.gz KEJFHDWCEPLVEY-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccccc3)C2)cc1[O-] ZINC001228809488 1036335428 /nfs/dbraw/zinc/33/54/28/1036335428.db2.gz GHAUNSSUBWTSGR-CQSZACIVSA-N -1 3 372.377 2.740 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)nc1 ZINC001208036998 1037963696 /nfs/dbraw/zinc/96/36/96/1037963696.db2.gz AALFQTCQHGVTFV-LBPRGKRZSA-N -1 3 351.409 2.505 20 5 FFBDHM Cc1nc(C)c(CCC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001538849965 1070505758 /nfs/dbraw/zinc/50/57/58/1070505758.db2.gz OIQCZDYHZNAABO-LLVKDONJSA-N -1 3 358.398 2.560 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cc2ncccc2o1 ZINC001306508889 1052137606 /nfs/dbraw/zinc/13/76/06/1052137606.db2.gz BJIWITXXZZEYGD-UHFFFAOYSA-N -1 3 350.294 2.773 20 5 FFBDHM CCOC(=O)c1ccnc(NCCc2c(F)cc([O-])cc2F)c1[N+](=O)[O-] ZINC001307215061 1052269922 /nfs/dbraw/zinc/26/99/22/1052269922.db2.gz ACNNQZRYNAMFFH-UHFFFAOYSA-N -1 3 367.308 2.805 20 5 FFBDHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC001351888193 1055043629 /nfs/dbraw/zinc/04/36/29/1055043629.db2.gz SSYKAWRTHIBGRR-HYXAFXHYSA-N -1 3 352.249 2.905 20 5 FFBDHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC001351888192 1055043878 /nfs/dbraw/zinc/04/38/78/1055043878.db2.gz SSYKAWRTHIBGRR-HWKANZROSA-N -1 3 352.249 2.905 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC001300180030 1056033831 /nfs/dbraw/zinc/03/38/31/1056033831.db2.gz PADOBASCYSFCDQ-UHFFFAOYSA-N -1 3 350.762 2.717 20 5 FFBDHM CCc1cccc(C(=O)N[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC001454556017 1059562302 /nfs/dbraw/zinc/56/23/02/1059562302.db2.gz PWLPHCSHILXCHF-IBGZPJMESA-N -1 3 372.377 2.681 20 5 FFBDHM COC(=O)CCc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC001455725898 1059891286 /nfs/dbraw/zinc/89/12/86/1059891286.db2.gz WGNBBICSMZHGBC-UHFFFAOYSA-N -1 3 358.350 2.967 20 5 FFBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1C ZINC001475477099 1061107102 /nfs/dbraw/zinc/10/71/02/1061107102.db2.gz WHVOYOLKWZUSDU-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001462881135 1061821633 /nfs/dbraw/zinc/82/16/33/1061821633.db2.gz PZEDYWANXRSNBX-GFCCVEGCSA-N -1 3 350.371 2.661 20 5 FFBDHM Cn1cc(-c2nsc([N-]C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cn1 ZINC001463291823 1062036054 /nfs/dbraw/zinc/03/60/54/1062036054.db2.gz XFXTYFZIKLXBLT-UHFFFAOYSA-N -1 3 364.774 2.753 20 5 FFBDHM COc1ccc(-n2cc(C(=O)[N-]c3c(C)c([N+](=O)[O-])ccc3F)nn2)cc1 ZINC001523897058 1062647990 /nfs/dbraw/zinc/64/79/90/1062647990.db2.gz VREDZVXDONJGER-UHFFFAOYSA-N -1 3 371.328 2.884 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cnc(-c2c(F)cccc2F)s1 ZINC001436240652 1062675858 /nfs/dbraw/zinc/67/58/58/1062675858.db2.gz ITRHRLWNCQOROY-UHFFFAOYSA-N -1 3 365.321 2.982 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001465160269 1062994080 /nfs/dbraw/zinc/99/40/80/1062994080.db2.gz RVYSVGVPTAEADY-LURJTMIESA-N -1 3 374.279 2.623 20 5 FFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001469714167 1064198500 /nfs/dbraw/zinc/19/85/00/1064198500.db2.gz GCYNKXPLVXPJGS-SNVBAGLBSA-N -1 3 364.789 2.626 20 5 FFBDHM CCc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC001470697433 1064413808 /nfs/dbraw/zinc/41/38/08/1064413808.db2.gz CFOVSRRMRFTKEG-UHFFFAOYSA-N -1 3 356.382 2.850 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001471700658 1064763263 /nfs/dbraw/zinc/76/32/63/1064763263.db2.gz GPFJCLWAIXWXLA-NSHDSACASA-N -1 3 355.350 2.916 20 5 FFBDHM CC1(C)CC[C@H](CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])OC1 ZINC001575666319 1078162337 /nfs/dbraw/zinc/16/23/37/1078162337.db2.gz VRCFWTPWJBAGJR-SNVBAGLBSA-N -1 3 364.381 2.921 20 5 FFBDHM CC1(C)CC[C@H](CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])OC1 ZINC001575666319 1078162339 /nfs/dbraw/zinc/16/23/39/1078162339.db2.gz VRCFWTPWJBAGJR-SNVBAGLBSA-N -1 3 364.381 2.921 20 5 FFBDHM CCO[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C12CCCC2 ZINC001578336140 1078465357 /nfs/dbraw/zinc/46/53/57/1078465357.db2.gz ZIYLTMGKWAQQFC-ZIAGYGMSSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@@H]1C[C@@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C12CCCC2 ZINC001578336140 1078465360 /nfs/dbraw/zinc/46/53/60/1078465360.db2.gz ZIYLTMGKWAQQFC-ZIAGYGMSSA-N -1 3 358.402 2.925 20 5 FFBDHM COC(=O)[C@H](C)c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001579433879 1078628917 /nfs/dbraw/zinc/62/89/17/1078628917.db2.gz QXOIEUZAQBICAG-SNVBAGLBSA-N -1 3 368.353 2.795 20 5 FFBDHM COC(=O)[C@H](C)c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001579433879 1078628920 /nfs/dbraw/zinc/62/89/20/1078628920.db2.gz QXOIEUZAQBICAG-SNVBAGLBSA-N -1 3 368.353 2.795 20 5 FFBDHM CO[C@](C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001579534637 1078640669 /nfs/dbraw/zinc/64/06/69/1078640669.db2.gz VLRUOFHPYMZYSY-QGZVFWFLSA-N -1 3 354.370 2.749 20 5 FFBDHM CO[C@](C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001579534637 1078640674 /nfs/dbraw/zinc/64/06/74/1078640674.db2.gz VLRUOFHPYMZYSY-QGZVFWFLSA-N -1 3 354.370 2.749 20 5 FFBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001580554977 1078823848 /nfs/dbraw/zinc/82/38/48/1078823848.db2.gz RXEJVNXBXQAODW-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001580554977 1078823860 /nfs/dbraw/zinc/82/38/60/1078823860.db2.gz RXEJVNXBXQAODW-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc(-c2nnn[n-]2)c1 ZINC001580979873 1078900887 /nfs/dbraw/zinc/90/08/87/1078900887.db2.gz XNHCAMAWPRVDON-SNVBAGLBSA-N -1 3 370.344 2.965 20 5 FFBDHM Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)cc(-c2nn[n-]n2)c1 ZINC001580979873 1078900897 /nfs/dbraw/zinc/90/08/97/1078900897.db2.gz XNHCAMAWPRVDON-SNVBAGLBSA-N -1 3 370.344 2.965 20 5 FFBDHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)Nc1ncccc1[O-] ZINC001556164908 1075711451 /nfs/dbraw/zinc/71/14/51/1075711451.db2.gz UJCRWHPFPSSAHI-UHFFFAOYSA-N -1 3 352.144 2.639 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001586283177 1079589319 /nfs/dbraw/zinc/58/93/19/1079589319.db2.gz BRNIJIXGJJDMNK-UHFFFAOYSA-N -1 3 367.365 2.769 20 5 FFBDHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001586482679 1079636956 /nfs/dbraw/zinc/63/69/56/1079636956.db2.gz BPDAVPGODCBYIX-KBXCAEBGSA-N -1 3 369.421 2.941 20 5 FFBDHM O=C([N-][C@H]1COc2cc(F)ccc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001586629211 1079659760 /nfs/dbraw/zinc/65/97/60/1079659760.db2.gz NVQIUUDIFVVCFK-CYBMUJFWSA-N -1 3 366.295 2.946 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589015430 1080305557 /nfs/dbraw/zinc/30/55/57/1080305557.db2.gz KLQOJVCNTUARQD-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589015430 1080305567 /nfs/dbraw/zinc/30/55/67/1080305567.db2.gz KLQOJVCNTUARQD-SECBINFHSA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589801052 1080755281 /nfs/dbraw/zinc/75/52/81/1080755281.db2.gz GYQYLNKOUVNPEQ-CABZTGNLSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589801052 1080755287 /nfs/dbraw/zinc/75/52/87/1080755287.db2.gz GYQYLNKOUVNPEQ-CABZTGNLSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589923081 1080864513 /nfs/dbraw/zinc/86/45/13/1080864513.db2.gz QEIKIFBSWSCOIF-CSXHZRMWSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589923081 1080864515 /nfs/dbraw/zinc/86/45/15/1080864515.db2.gz QEIKIFBSWSCOIF-CSXHZRMWSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1c(F)cccc1F ZINC001589984702 1080922254 /nfs/dbraw/zinc/92/22/54/1080922254.db2.gz VYDYSAXJGOUMBA-SSDOTTSWSA-N -1 3 361.312 2.808 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1c(F)cccc1F ZINC001589984702 1080922258 /nfs/dbraw/zinc/92/22/58/1080922258.db2.gz VYDYSAXJGOUMBA-SSDOTTSWSA-N -1 3 361.312 2.808 20 5 FFBDHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001589990500 1080924728 /nfs/dbraw/zinc/92/47/28/1080924728.db2.gz JUHGMVQHXAEBDA-MRXNPFEDSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC001590261254 1081129258 /nfs/dbraw/zinc/12/92/58/1081129258.db2.gz LBAFCMDGGOLWIK-QWRGUYRKSA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC001590261254 1081129260 /nfs/dbraw/zinc/12/92/60/1081129260.db2.gz LBAFCMDGGOLWIK-QWRGUYRKSA-N -1 3 353.386 2.948 20 5 FFBDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000451673416 513903714 /nfs/dbraw/zinc/90/37/14/513903714.db2.gz KQIVPRUEDZTHLK-JOYOIKCWSA-N -1 3 350.824 2.588 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000056007923 205226710 /nfs/dbraw/zinc/22/67/10/205226710.db2.gz RGKBZBWIIPZSMU-UHFFFAOYSA-N -1 3 372.349 2.983 20 5 FFBDHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000118438399 250385712 /nfs/dbraw/zinc/38/57/12/250385712.db2.gz GCBHUHOLERCPKT-SWLSCSKDSA-N -1 3 356.444 2.714 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000192616693 251294922 /nfs/dbraw/zinc/29/49/22/251294922.db2.gz DAWBEFRTVDMULL-NXEZZACHSA-N -1 3 352.334 2.994 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000276662272 256119957 /nfs/dbraw/zinc/11/99/57/256119957.db2.gz FENKUGXEWYOIDS-CYBMUJFWSA-N -1 3 354.428 2.592 20 5 FFBDHM CC(=O)N(Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000278198482 256286622 /nfs/dbraw/zinc/28/66/22/256286622.db2.gz PSSWHUUMEXAEJQ-UHFFFAOYSA-N -1 3 372.381 2.705 20 5 FFBDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000330626732 258166973 /nfs/dbraw/zinc/16/69/73/258166973.db2.gz JJANCMPCHLTNRE-AAEUAGOBSA-N -1 3 362.835 2.730 20 5 FFBDHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331354319 258182812 /nfs/dbraw/zinc/18/28/12/258182812.db2.gz ZLUNAGBKPDTINY-QMMMGPOBSA-N -1 3 351.222 2.680 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000032407119 506250401 /nfs/dbraw/zinc/25/04/01/506250401.db2.gz FNMPGWYFHLTESM-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000065880232 506384457 /nfs/dbraw/zinc/38/44/57/506384457.db2.gz KCYYNWGSKSNLDY-UHFFFAOYSA-N -1 3 367.369 2.606 20 5 FFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000065880232 506384466 /nfs/dbraw/zinc/38/44/66/506384466.db2.gz KCYYNWGSKSNLDY-UHFFFAOYSA-N -1 3 367.369 2.606 20 5 FFBDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000065880232 506384472 /nfs/dbraw/zinc/38/44/72/506384472.db2.gz KCYYNWGSKSNLDY-UHFFFAOYSA-N -1 3 367.369 2.606 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1F ZINC000053671184 506426584 /nfs/dbraw/zinc/42/65/84/506426584.db2.gz FKWCEXVJBPWKNL-LBPRGKRZSA-N -1 3 352.387 2.952 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c(F)c1 ZINC000068838734 507337653 /nfs/dbraw/zinc/33/76/53/507337653.db2.gz BAQISWJNVXUSBC-UHFFFAOYSA-N -1 3 361.354 2.761 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000068938272 507366879 /nfs/dbraw/zinc/36/68/79/507366879.db2.gz DCFCXFDZIACEFN-CYBMUJFWSA-N -1 3 366.370 2.844 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000024890212 507445260 /nfs/dbraw/zinc/44/52/60/507445260.db2.gz ITAYVQJRWPHGFE-UHFFFAOYSA-N -1 3 369.786 2.872 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCOCc1ccccc1 ZINC000051160804 507745337 /nfs/dbraw/zinc/74/53/37/507745337.db2.gz OYBKZHUYCFMKKC-UHFFFAOYSA-N -1 3 364.423 2.870 20 5 FFBDHM Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1[N+](=O)[O-] ZINC000091923587 508024906 /nfs/dbraw/zinc/02/49/06/508024906.db2.gz ZSEZYCDHHHSYER-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000112361710 508179581 /nfs/dbraw/zinc/17/95/81/508179581.db2.gz MCNWYRYEOFTUBQ-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM COc1cccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1[O-] ZINC000101950098 508261712 /nfs/dbraw/zinc/26/17/12/508261712.db2.gz QWXSOQDZRCMTKS-UHFFFAOYSA-N -1 3 354.322 2.951 20 5 FFBDHM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000104875344 508350663 /nfs/dbraw/zinc/35/06/63/508350663.db2.gz RRXZYQGUQMWBHC-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)c(F)c1 ZINC000116362546 508503177 /nfs/dbraw/zinc/50/31/77/508503177.db2.gz YGOMGDAHACTEHN-RNCFNFMXSA-N -1 3 372.324 2.847 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123049177 508627441 /nfs/dbraw/zinc/62/74/41/508627441.db2.gz ZLKPXFQCNMBOKC-UHFFFAOYSA-N -1 3 356.425 2.590 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000119300585 508767816 /nfs/dbraw/zinc/76/78/16/508767816.db2.gz LFGRMTCNUWCMPU-GFCCVEGCSA-N -1 3 353.400 2.938 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1c(C)noc1C ZINC000119308397 508769716 /nfs/dbraw/zinc/76/97/16/508769716.db2.gz MUPLCZKARGGBDQ-ZDUSSCGKSA-N -1 3 353.400 2.938 20 5 FFBDHM O=C([N-]c1nnc(C(F)F)s1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000119445148 508798223 /nfs/dbraw/zinc/79/82/23/508798223.db2.gz LLWSRTVMTGEMNH-UHFFFAOYSA-N -1 3 366.309 2.822 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cccc2cccnc21 ZINC000142626211 508824677 /nfs/dbraw/zinc/82/46/77/508824677.db2.gz QJTOIPNFXQZXRJ-UHFFFAOYSA-N -1 3 357.391 2.664 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000124508665 508843927 /nfs/dbraw/zinc/84/39/27/508843927.db2.gz XLBZGGGLIQMFAJ-CYBMUJFWSA-N -1 3 370.452 2.757 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3nccn3C)cs2)c1 ZINC000125616122 509007354 /nfs/dbraw/zinc/00/73/54/509007354.db2.gz INIRMSKLKCABOP-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000151458544 509020669 /nfs/dbraw/zinc/02/06/69/509020669.db2.gz DLJGZYHHYZTTFZ-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000126690785 509113542 /nfs/dbraw/zinc/11/35/42/509113542.db2.gz CLDSBXGZKVUTDF-UHFFFAOYSA-N -1 3 369.175 2.597 20 5 FFBDHM O=c1nc(Cn2cc([N+](=O)[O-])cn2)[n-]c2scc(-c3ccccc3)c21 ZINC000133418577 509157589 /nfs/dbraw/zinc/15/75/89/509157589.db2.gz HKHLLXORNOAVLK-UHFFFAOYSA-N -1 3 353.363 2.805 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000156339276 509162084 /nfs/dbraw/zinc/16/20/84/509162084.db2.gz RWBVBFAHFSJQPN-JTQLQIEISA-N -1 3 362.835 2.793 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000198841808 509230559 /nfs/dbraw/zinc/23/05/59/509230559.db2.gz CJRVFOKHKBDYDN-UHFFFAOYSA-N -1 3 366.439 2.851 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000186028348 509489760 /nfs/dbraw/zinc/48/97/60/509489760.db2.gz HLZGUUCEJOUZBH-HNNXBMFYSA-N -1 3 372.349 2.539 20 5 FFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173308327 509521498 /nfs/dbraw/zinc/52/14/98/509521498.db2.gz SNURZCJOPHFHAQ-UHFFFAOYSA-N -1 3 372.834 2.512 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1coc(-c2ccccc2)n1 ZINC000173346362 509545218 /nfs/dbraw/zinc/54/52/18/509545218.db2.gz VBYUBQKSWCNVNG-UHFFFAOYSA-N -1 3 359.363 2.728 20 5 FFBDHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000173638368 509690388 /nfs/dbraw/zinc/69/03/88/509690388.db2.gz JXDWWLXCBACIIU-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])COCc1ccccc1 ZINC000193576863 509973166 /nfs/dbraw/zinc/97/31/66/509973166.db2.gz FEURYKOUGMQTME-CQSZACIVSA-N -1 3 364.423 2.726 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c(Cl)c1 ZINC000180598935 510006231 /nfs/dbraw/zinc/00/62/31/510006231.db2.gz IMLJYZOTMAWTRR-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM O=C(Nc1ccn(-c2ccccc2Cl)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193732600 510041066 /nfs/dbraw/zinc/04/10/66/510041066.db2.gz HHGRIUJVKRWHEN-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193745481 510046786 /nfs/dbraw/zinc/04/67/86/510046786.db2.gz ZIKWFMHHGDTSPE-UHFFFAOYSA-N -1 3 367.243 2.843 20 5 FFBDHM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193745481 510046791 /nfs/dbraw/zinc/04/67/91/510046791.db2.gz ZIKWFMHHGDTSPE-UHFFFAOYSA-N -1 3 367.243 2.843 20 5 FFBDHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000181021254 510242834 /nfs/dbraw/zinc/24/28/34/510242834.db2.gz FZIJMVVZYQEASA-UHFFFAOYSA-N -1 3 365.411 2.646 20 5 FFBDHM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000269148488 510258031 /nfs/dbraw/zinc/25/80/31/510258031.db2.gz NIPAZYNSQPONDE-HNNXBMFYSA-N -1 3 355.394 2.647 20 5 FFBDHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])n2C ZINC000184354655 510281645 /nfs/dbraw/zinc/28/16/45/510281645.db2.gz UKPUOYRBLQWJOG-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc([N+](=O)[O-])cnc3N)s2)cc1 ZINC000184448060 510329914 /nfs/dbraw/zinc/32/99/14/510329914.db2.gz BAKRPSVRWGKMEY-UHFFFAOYSA-N -1 3 370.394 2.575 20 5 FFBDHM CC(=O)Nc1cc(F)c(F)cc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269481277 510429083 /nfs/dbraw/zinc/42/90/83/510429083.db2.gz WCCIREUERWXPTA-UHFFFAOYSA-N -1 3 367.312 2.930 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000178107840 510436584 /nfs/dbraw/zinc/43/65/84/510436584.db2.gz HNAYRNUUVVGWSS-UHFFFAOYSA-N -1 3 350.758 2.821 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCc2cc(N)ccc21 ZINC000184713441 510478662 /nfs/dbraw/zinc/47/86/62/510478662.db2.gz JFJMZMBLKJLMKL-HNNXBMFYSA-N -1 3 361.423 2.841 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1C(C)C ZINC000175132622 510497627 /nfs/dbraw/zinc/49/76/27/510497627.db2.gz GVZFOBMVGMKIRE-ZFWWWQNUSA-N -1 3 356.444 2.633 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(C3CCCCC3)CC2)s1 ZINC000175419011 510638327 /nfs/dbraw/zinc/63/83/27/510638327.db2.gz WFAZLYHCTBDMMK-UHFFFAOYSA-N -1 3 373.500 2.732 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)c(C(=O)OC)ccc2Cl)n1 ZINC000191712525 510798583 /nfs/dbraw/zinc/79/85/83/510798583.db2.gz UHPGZCXCEIKCRD-UHFFFAOYSA-N -1 3 366.761 2.812 20 5 FFBDHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]1C ZINC000294166118 510978034 /nfs/dbraw/zinc/97/80/34/510978034.db2.gz NIRFLFOCKKSCPD-BMIGLBTASA-N -1 3 370.365 2.709 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1(C2CC2)CCOCC1 ZINC000364680506 511017697 /nfs/dbraw/zinc/01/76/97/511017697.db2.gz ZELCUWCJCIFSPH-UHFFFAOYSA-N -1 3 356.382 2.552 20 5 FFBDHM C[C@H](CON=C([O-])Nc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000271126332 511090036 /nfs/dbraw/zinc/09/00/36/511090036.db2.gz PEZAQPOOHIYYIB-SNVBAGLBSA-N -1 3 354.363 2.561 20 5 FFBDHM C[C@H](CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000271126332 511090039 /nfs/dbraw/zinc/09/00/39/511090039.db2.gz PEZAQPOOHIYYIB-SNVBAGLBSA-N -1 3 354.363 2.561 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000291851297 511364236 /nfs/dbraw/zinc/36/42/36/511364236.db2.gz HVVBKCKMNDFDCV-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000292718232 511696587 /nfs/dbraw/zinc/69/65/87/511696587.db2.gz FPIHJWFEVOMVFB-UHFFFAOYSA-N -1 3 359.791 2.586 20 5 FFBDHM CC(C)(C)c1nnc(COC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)s1 ZINC000281125110 511728019 /nfs/dbraw/zinc/72/80/19/511728019.db2.gz GYLVHSYFBVZLDR-UHFFFAOYSA-N -1 3 361.383 2.977 20 5 FFBDHM CC(C)(C)c1nnc(COC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s1 ZINC000281125110 511728024 /nfs/dbraw/zinc/72/80/24/511728024.db2.gz GYLVHSYFBVZLDR-UHFFFAOYSA-N -1 3 361.383 2.977 20 5 FFBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000363799572 511774899 /nfs/dbraw/zinc/77/48/99/511774899.db2.gz ZOZAXANPRWTZEH-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)CC(C)(C)C ZINC000326966139 511866366 /nfs/dbraw/zinc/86/63/66/511866366.db2.gz KHTCTJFECPYMBJ-UHFFFAOYSA-N -1 3 372.443 2.875 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)CC1 ZINC000327799893 511881716 /nfs/dbraw/zinc/88/17/16/511881716.db2.gz UIEXKJIFJVXIFW-RYUDHWBXSA-N -1 3 370.427 2.629 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C(C)C)C(C)C ZINC000327893485 511882866 /nfs/dbraw/zinc/88/28/66/511882866.db2.gz VVLOXSCBLWVKDQ-UHFFFAOYSA-N -1 3 372.443 2.588 20 5 FFBDHM CCOc1cc(NC([O-])=NO[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC ZINC000274846457 511961522 /nfs/dbraw/zinc/96/15/22/511961522.db2.gz WXISIPGDSLLJGS-OAHLLOKOSA-N -1 3 369.374 2.972 20 5 FFBDHM CCOc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCC ZINC000274846457 511961526 /nfs/dbraw/zinc/96/15/26/511961526.db2.gz WXISIPGDSLLJGS-OAHLLOKOSA-N -1 3 369.374 2.972 20 5 FFBDHM C[C@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382591894 512877380 /nfs/dbraw/zinc/87/73/80/512877380.db2.gz HAWHCWKVBNHPBF-AWEZNQCLSA-N -1 3 370.409 2.789 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000389791078 512902614 /nfs/dbraw/zinc/90/26/14/512902614.db2.gz LSZLHICIJOBBKU-WFASDCNBSA-N -1 3 356.382 2.620 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000389992430 512904704 /nfs/dbraw/zinc/90/47/04/512904704.db2.gz OWELPSBOBNEHHG-CZUORRHYSA-N -1 3 355.394 2.551 20 5 FFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000435638970 513647090 /nfs/dbraw/zinc/64/70/90/513647090.db2.gz SKHPMXNEQXBHSP-UHFFFAOYSA-N -1 3 355.803 2.684 20 5 FFBDHM CC(C)OCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416363618 513733211 /nfs/dbraw/zinc/73/32/11/513733211.db2.gz QFIZHPUNTSXCTE-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000416419888 513763999 /nfs/dbraw/zinc/76/39/99/513763999.db2.gz WPBSZCLSANDBMT-UHFFFAOYSA-N -1 3 366.443 2.665 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C)CCCC[C@H]1C ZINC000416514944 513812878 /nfs/dbraw/zinc/81/28/78/513812878.db2.gz JTHNWMGKOBTCAR-BDJLRTHQSA-N -1 3 370.427 2.629 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000416588406 513852084 /nfs/dbraw/zinc/85/20/84/513852084.db2.gz QXKHAVPORIENNN-GXTWGEPZSA-N -1 3 354.428 2.708 20 5 FFBDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416599591 513857619 /nfs/dbraw/zinc/85/76/19/513857619.db2.gz PNGUZYMZICTAEL-OTYXRUKQSA-N -1 3 362.835 2.730 20 5 FFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443276673 513917637 /nfs/dbraw/zinc/91/76/37/513917637.db2.gz RKYNLPCFTOYBEX-UHFFFAOYSA-N -1 3 364.851 2.858 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000451802352 513990767 /nfs/dbraw/zinc/99/07/67/513990767.db2.gz NOYIYGDQJBHPFY-ZDUSSCGKSA-N -1 3 354.428 2.531 20 5 FFBDHM COc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c([O-])c1 ZINC000443563775 513995422 /nfs/dbraw/zinc/99/54/22/513995422.db2.gz ZXAXYUJQHDNKBN-UHFFFAOYSA-N -1 3 354.322 2.747 20 5 FFBDHM COc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c([O-])c1 ZINC000443559596 513996373 /nfs/dbraw/zinc/99/63/73/513996373.db2.gz NICJBRWQGPVZBX-UHFFFAOYSA-N -1 3 354.322 2.747 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c(Cl)c1 ZINC000451822555 514004646 /nfs/dbraw/zinc/00/46/46/514004646.db2.gz KMHQWACURFQIIL-QMMMGPOBSA-N -1 3 354.762 2.962 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)c1C ZINC000443791011 514042633 /nfs/dbraw/zinc/04/26/33/514042633.db2.gz ODLIEPJDWYNNOB-UHFFFAOYSA-N -1 3 374.422 2.609 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414456877 514127690 /nfs/dbraw/zinc/12/76/90/514127690.db2.gz UZOMHLNTRBEKLR-GFCCVEGCSA-N -1 3 352.334 2.831 20 5 FFBDHM COC(=O)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])Cc1ccc([O-])c(F)c1 ZINC000420640301 514211308 /nfs/dbraw/zinc/21/13/08/514211308.db2.gz SVLHDIOREISRQJ-GFCCVEGCSA-N -1 3 363.345 2.587 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2 ZINC000420711409 514254878 /nfs/dbraw/zinc/25/48/78/514254878.db2.gz YDWCAEOKFABIMJ-LBPRGKRZSA-N -1 3 356.469 2.715 20 5 FFBDHM Cc1c(C(F)(F)F)nn(C)c1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000470651453 514564789 /nfs/dbraw/zinc/56/47/89/514564789.db2.gz MAYLSAGGAKMNLO-UHFFFAOYSA-N -1 3 368.275 2.784 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc3nccnc3cc2F)cc([N+](=O)[O-])c1 ZINC000470971615 514699787 /nfs/dbraw/zinc/69/97/87/514699787.db2.gz ZXXJMVNBKUWYQF-UHFFFAOYSA-N -1 3 370.296 2.716 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)cc1C ZINC000461799334 514746703 /nfs/dbraw/zinc/74/67/03/514746703.db2.gz YLGNITBITYOBRV-OAHLLOKOSA-N -1 3 370.471 2.679 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(=O)OC(C)(C)C)cc1C ZINC000466915718 514824406 /nfs/dbraw/zinc/82/44/06/514824406.db2.gz BWMBENQSZNQDLK-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM CC[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000480375675 514936080 /nfs/dbraw/zinc/93/60/80/514936080.db2.gz GTHGPYVTLIVLIW-KRWDZBQOSA-N -1 3 369.421 2.867 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCCCC1 ZINC000476188735 514941177 /nfs/dbraw/zinc/94/11/77/514941177.db2.gz JBBXGLRFRZMVPB-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000467423530 515001745 /nfs/dbraw/zinc/00/17/45/515001745.db2.gz MXFGMODQIBOOGT-GFCCVEGCSA-N -1 3 352.437 2.973 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000480694795 515047412 /nfs/dbraw/zinc/04/74/12/515047412.db2.gz NQXGKDRFMDYDDW-SJORKVTESA-N -1 3 368.455 2.695 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480726328 515059140 /nfs/dbraw/zinc/05/91/40/515059140.db2.gz HBOQUJJHGFREON-UONOGXRCSA-N -1 3 356.444 2.695 20 5 FFBDHM Nc1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000467805568 515128677 /nfs/dbraw/zinc/12/86/77/515128677.db2.gz DIZZWHLUKBYOMY-UHFFFAOYSA-N -1 3 359.292 2.520 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCn2cnc3ccccc32)c1C ZINC000480961726 515153240 /nfs/dbraw/zinc/15/32/40/515153240.db2.gz ZTNCTPUHZZETFU-UHFFFAOYSA-N -1 3 374.422 2.540 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)C ZINC000480984954 515161992 /nfs/dbraw/zinc/16/19/92/515161992.db2.gz SGGIJBGHXFYOIF-OAHLLOKOSA-N -1 3 358.460 2.941 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000481027623 515177673 /nfs/dbraw/zinc/17/76/73/515177673.db2.gz WGZLHWBGSITTCV-LBPRGKRZSA-N -1 3 372.443 2.610 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C12CCC2 ZINC000481062705 515192213 /nfs/dbraw/zinc/19/22/13/515192213.db2.gz RPNNVHQUVBFPDY-KBPBESRZSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(F)c1 ZINC000462697900 515195385 /nfs/dbraw/zinc/19/53/85/515195385.db2.gz JDKOFWPDZGMNDU-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000490417034 515202359 /nfs/dbraw/zinc/20/23/59/515202359.db2.gz TXTAYDVMSFAASX-TZMCWYRMSA-N -1 3 366.370 2.577 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CCc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000462713044 515207414 /nfs/dbraw/zinc/20/74/14/515207414.db2.gz WVVFCZVNINIKMJ-LLVKDONJSA-N -1 3 368.411 2.804 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCc1ccc(C)o1 ZINC000462718967 515212189 /nfs/dbraw/zinc/21/21/89/515212189.db2.gz DIXSWHJSQOKRIM-LLVKDONJSA-N -1 3 368.411 2.804 20 5 FFBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1c(F)cccc1[N+](=O)[O-] ZINC000504497261 515317974 /nfs/dbraw/zinc/31/79/74/515317974.db2.gz SMIIOAOFADBCCS-UHFFFAOYSA-N -1 3 353.331 2.617 20 5 FFBDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000499642090 515397117 /nfs/dbraw/zinc/39/71/17/515397117.db2.gz MKSYPSBAKGDWCW-PELKAZGASA-N -1 3 363.233 2.824 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000499707798 515421882 /nfs/dbraw/zinc/42/18/82/515421882.db2.gz JFAXVXJTZCNODK-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM COc1ncc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1Cl ZINC000493322720 515621133 /nfs/dbraw/zinc/62/11/33/515621133.db2.gz RGYFLQLJVGSCCR-UHFFFAOYSA-N -1 3 373.756 2.716 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000457156941 515694405 /nfs/dbraw/zinc/69/44/05/515694405.db2.gz RJALNOGPNAORHM-UHFFFAOYSA-N -1 3 355.276 2.794 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCN(C)c2ccccc2)c1[N+](=O)[O-] ZINC000478132404 515712250 /nfs/dbraw/zinc/71/22/50/515712250.db2.gz JBMVCMOCTNFWBY-UHFFFAOYSA-N -1 3 363.439 2.626 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)c([N+](=O)[O-])c1 ZINC000511035312 515753344 /nfs/dbraw/zinc/75/33/44/515753344.db2.gz SSPVKYIPVBNVNT-VIFPVBQESA-N -1 3 357.338 2.616 20 5 FFBDHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000473851501 515775337 /nfs/dbraw/zinc/77/53/37/515775337.db2.gz CCRASQCGKDVZHL-CQSZACIVSA-N -1 3 362.361 2.647 20 5 FFBDHM CC(C)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000500697531 515820313 /nfs/dbraw/zinc/82/03/13/515820313.db2.gz IUINFYXZZAPLII-UHFFFAOYSA-N -1 3 369.421 2.867 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000478757275 515951833 /nfs/dbraw/zinc/95/18/33/515951833.db2.gz CBDBHFXYKJGOKT-DZGCQCFKSA-N -1 3 356.444 2.775 20 5 FFBDHM CN(CC1CCN(c2ccncc2)CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507091611 516086089 /nfs/dbraw/zinc/08/60/89/516086089.db2.gz WSVHKNYDDLZTRN-UHFFFAOYSA-N -1 3 370.409 2.684 20 5 FFBDHM C[C@H]1CCCN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000460430013 516151847 /nfs/dbraw/zinc/15/18/47/516151847.db2.gz VIDSDSDNIFOOEP-VIFPVBQESA-N -1 3 365.358 2.585 20 5 FFBDHM O=C([N-]c1nc2cc3c(cc2s1)OC(F)(F)O3)c1n[nH]cc1[N+](=O)[O-] ZINC000488237517 516169840 /nfs/dbraw/zinc/16/98/40/516169840.db2.gz LNEGAUXPQNOFDQ-UHFFFAOYSA-N -1 3 369.265 2.501 20 5 FFBDHM COC(=O)c1c(F)cc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])cc1F ZINC000512556011 516304048 /nfs/dbraw/zinc/30/40/48/516304048.db2.gz VCPVRZKXRFZNQT-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(C)c3ccccc3n2)c([N+](=O)[O-])c1 ZINC000523295256 516427316 /nfs/dbraw/zinc/42/73/16/516427316.db2.gz CMGSDCRFMOCWBK-UHFFFAOYSA-N -1 3 372.406 2.633 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000554710503 516599451 /nfs/dbraw/zinc/59/94/51/516599451.db2.gz OXDOTNPWWHCANK-SNVBAGLBSA-N -1 3 368.798 2.703 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1[N+](=O)[O-] ZINC000513621707 516694239 /nfs/dbraw/zinc/69/42/39/516694239.db2.gz HRKNJXIZRQDUPN-UHFFFAOYSA-N -1 3 370.770 2.610 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000554928371 516702860 /nfs/dbraw/zinc/70/28/60/516702860.db2.gz JMGHYAXLEYICMU-BTTYYORXSA-N -1 3 356.444 2.775 20 5 FFBDHM COc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc([N+](=O)[O-])c1C ZINC000555473303 516939448 /nfs/dbraw/zinc/93/94/48/516939448.db2.gz DFMYWFKJTZGHRI-UHFFFAOYSA-N -1 3 352.310 2.900 20 5 FFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000519727031 517149271 /nfs/dbraw/zinc/14/92/71/517149271.db2.gz PHEROYNINRBNTG-UHFFFAOYSA-N -1 3 364.851 2.979 20 5 FFBDHM CCOC(=O)c1c([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])sc(C)c1CC ZINC000548747838 517187006 /nfs/dbraw/zinc/18/70/06/517187006.db2.gz KYARUEUOJAUVEK-UHFFFAOYSA-N -1 3 352.372 2.679 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000546068232 517524890 /nfs/dbraw/zinc/52/48/90/517524890.db2.gz AJAQQMFFMLNQKD-OAHLLOKOSA-N -1 3 368.386 2.541 20 5 FFBDHM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000549687650 517659779 /nfs/dbraw/zinc/65/97/79/517659779.db2.gz MZFNUKKVICMABQ-CXAGYDPISA-N -1 3 358.394 2.810 20 5 FFBDHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cccc([N+](=O)[O-])c3)nc2)n1 ZINC000534629803 517971502 /nfs/dbraw/zinc/97/15/02/517971502.db2.gz UAWPOBWEDNLQKY-UHFFFAOYSA-N -1 3 365.393 2.791 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000534829955 518052247 /nfs/dbraw/zinc/05/22/47/518052247.db2.gz ZHENIBWFLWDIAS-UHFFFAOYSA-N -1 3 373.365 2.918 20 5 FFBDHM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000569791261 518291745 /nfs/dbraw/zinc/29/17/45/518291745.db2.gz HLIXYOULAQHFFN-SNVBAGLBSA-N -1 3 370.374 2.786 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c1C ZINC000585739858 518581230 /nfs/dbraw/zinc/58/12/30/518581230.db2.gz URXXYSDDSGBCIP-UHFFFAOYSA-N -1 3 374.422 2.609 20 5 FFBDHM Cc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565037985 518756596 /nfs/dbraw/zinc/75/65/96/518756596.db2.gz GXGSFMUCVCHKAY-OKILXGFUSA-N -1 3 365.430 2.903 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000579848458 518885265 /nfs/dbraw/zinc/88/52/65/518885265.db2.gz YAQJINPMJSFBDK-ZETCQYMHSA-N -1 3 371.216 2.622 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000571329872 519041398 /nfs/dbraw/zinc/04/13/98/519041398.db2.gz FDJSEVPNDQEZBM-CQSZACIVSA-N -1 3 356.382 2.683 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC000590590904 519277140 /nfs/dbraw/zinc/27/71/40/519277140.db2.gz LTHDMHZGGINZHS-UHFFFAOYSA-N -1 3 359.404 2.594 20 5 FFBDHM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000577857308 519294253 /nfs/dbraw/zinc/29/42/53/519294253.db2.gz YXECCOULHTWVPE-GOSISDBHSA-N -1 3 355.394 2.851 20 5 FFBDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000580679772 519297285 /nfs/dbraw/zinc/29/72/85/519297285.db2.gz ODUPTMHJUAQMKZ-UHFFFAOYSA-N -1 3 367.402 2.693 20 5 FFBDHM CCC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCN1CCOC ZINC000566290596 519414740 /nfs/dbraw/zinc/41/47/40/519414740.db2.gz AEMXTKXEUMENEX-CQSZACIVSA-N -1 3 365.430 2.539 20 5 FFBDHM COc1cc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)ccc1[O-] ZINC000581048002 519493807 /nfs/dbraw/zinc/49/38/07/519493807.db2.gz DWWNSEVXQJFMSY-UHFFFAOYSA-N -1 3 355.350 2.763 20 5 FFBDHM Cc1cccc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c1[N+](=O)[O-] ZINC000572305345 519545463 /nfs/dbraw/zinc/54/54/63/519545463.db2.gz DYTZAQDEKVTRKL-SFHVURJKSA-N -1 3 354.366 2.570 20 5 FFBDHM CCN=c1[n-]c(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cs1 ZINC000597297310 519941820 /nfs/dbraw/zinc/94/18/20/519941820.db2.gz SOQLVLCCIYDQOH-AWEZNQCLSA-N -1 3 364.452 2.793 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594472825 519982448 /nfs/dbraw/zinc/98/24/48/519982448.db2.gz GIGLGLTYKDWIAC-LSDHHAIUSA-N -1 3 368.455 2.838 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594486508 519996582 /nfs/dbraw/zinc/99/65/82/519996582.db2.gz GZAPQLPSMSUSJY-AAEUAGOBSA-N -1 3 362.835 2.874 20 5 FFBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756392 520136680 /nfs/dbraw/zinc/13/66/80/520136680.db2.gz DPYWIMNUDSDFRT-LLVKDONJSA-N -1 3 369.468 2.953 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000594759104 520139053 /nfs/dbraw/zinc/13/90/53/520139053.db2.gz SUMMCLSTNONIKE-UHFFFAOYSA-N -1 3 361.423 2.858 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594854472 520190234 /nfs/dbraw/zinc/19/02/34/520190234.db2.gz LWYJAGGPOPMPFH-GFCCVEGCSA-N -1 3 373.500 2.650 20 5 FFBDHM Cc1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc2occ([O-])c21 ZINC000603677736 520342411 /nfs/dbraw/zinc/34/24/11/520342411.db2.gz FEMTXQKMVJCGOD-UHFFFAOYSA-N -1 3 357.318 2.924 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c(F)c1 ZINC000609638642 520392344 /nfs/dbraw/zinc/39/23/44/520392344.db2.gz VAQOASNKQUUEEJ-UHFFFAOYSA-N -1 3 361.354 2.761 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000603958702 520415783 /nfs/dbraw/zinc/41/57/83/520415783.db2.gz LGKGRNWQNCYWJY-GXFFZTMASA-N -1 3 366.395 2.798 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nnc(-c2ccccn2)[n-]1 ZINC000609792647 520432977 /nfs/dbraw/zinc/43/29/77/520432977.db2.gz MQTGLTHZEWUXGO-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1nc(-c2ccccn2)n[n-]1 ZINC000609792647 520432989 /nfs/dbraw/zinc/43/29/89/520432989.db2.gz MQTGLTHZEWUXGO-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1n[n-]c(-c2ccccn2)n1 ZINC000609792647 520432996 /nfs/dbraw/zinc/43/29/96/520432996.db2.gz MQTGLTHZEWUXGO-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM COCCS(=O)(=O)[N-]c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609985614 520496330 /nfs/dbraw/zinc/49/63/30/520496330.db2.gz ZHQXAXJNFQZGTO-UHFFFAOYSA-N -1 3 352.368 2.775 20 5 FFBDHM CCOC(=O)c1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)cc([N+](=O)[O-])c1 ZINC000592951234 520657069 /nfs/dbraw/zinc/65/70/69/520657069.db2.gz ZRYGTCHJYHHUTJ-UHFFFAOYSA-N -1 3 360.370 2.601 20 5 FFBDHM O=C(c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1)N1CCCCC1 ZINC000596066016 520890436 /nfs/dbraw/zinc/89/04/36/520890436.db2.gz BCOKEOOJXJDEOT-UHFFFAOYSA-N -1 3 356.382 2.934 20 5 FFBDHM CC[C@H](C(=O)[O-])N(C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000593331589 520915210 /nfs/dbraw/zinc/91/52/10/520915210.db2.gz GXCLGRGGUSKQIP-SNVBAGLBSA-N -1 3 362.329 2.542 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000599375113 521183017 /nfs/dbraw/zinc/18/30/17/521183017.db2.gz KYRLWSDRQMNIJX-UHOFOFEASA-N -1 3 364.810 2.865 20 5 FFBDHM COc1ccc(C(C)(C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000599426832 521215166 /nfs/dbraw/zinc/21/51/66/521215166.db2.gz RSFOSZDARGJHQF-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599463574 521239632 /nfs/dbraw/zinc/23/96/32/521239632.db2.gz GIXSSWOSWNMZMG-OAHLLOKOSA-N -1 3 367.471 2.507 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@@]1(C)c1ccccc1 ZINC000619486991 521594131 /nfs/dbraw/zinc/59/41/31/521594131.db2.gz QNMZXUAKMXMCEP-RDJZCZTQSA-N -1 3 362.407 2.612 20 5 FFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N=c1cc(-c2cccnc2)[n-][nH]1 ZINC000534386575 562533137 /nfs/dbraw/zinc/53/31/37/562533137.db2.gz JBSDQZPQNMMBPQ-UHFFFAOYSA-N -1 3 362.349 2.973 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737967962 599181310 /nfs/dbraw/zinc/18/13/10/599181310.db2.gz BLLAOGYEQSILDI-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737967962 599181312 /nfs/dbraw/zinc/18/13/12/599181312.db2.gz BLLAOGYEQSILDI-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM Cc1cc(N2CCCC2)ccc1Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822206885 599265509 /nfs/dbraw/zinc/26/55/09/599265509.db2.gz BYDUGGFKPRBTCU-UHFFFAOYSA-N -1 3 366.385 2.822 20 5 FFBDHM Cc1cc(N2CCCC2)ccc1Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822206885 599265511 /nfs/dbraw/zinc/26/55/11/599265511.db2.gz BYDUGGFKPRBTCU-UHFFFAOYSA-N -1 3 366.385 2.822 20 5 FFBDHM CN(C[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736792414 598246683 /nfs/dbraw/zinc/24/66/83/598246683.db2.gz RFIFQWXJRQOIFT-QGZVFWFLSA-N -1 3 366.381 2.525 20 5 FFBDHM CN(C[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736792414 598246684 /nfs/dbraw/zinc/24/66/84/598246684.db2.gz RFIFQWXJRQOIFT-QGZVFWFLSA-N -1 3 366.381 2.525 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc2c(c1)OCCCO2 ZINC000738360574 598459206 /nfs/dbraw/zinc/45/92/06/598459206.db2.gz YGQNEFZMDKHYRK-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc2c(c1)OCCCO2 ZINC000738360574 598459207 /nfs/dbraw/zinc/45/92/07/598459207.db2.gz YGQNEFZMDKHYRK-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM CCn1c(C)cc2c1CCC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736720649 598500793 /nfs/dbraw/zinc/50/07/93/598500793.db2.gz VUXXSBWYKPXWTG-CQSZACIVSA-N -1 3 368.401 2.789 20 5 FFBDHM CCn1c(C)cc2c1CCC[C@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736720649 598500794 /nfs/dbraw/zinc/50/07/94/598500794.db2.gz VUXXSBWYKPXWTG-CQSZACIVSA-N -1 3 368.401 2.789 20 5 FFBDHM Cc1c(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000737218570 598648927 /nfs/dbraw/zinc/64/89/27/598648927.db2.gz MUEDAFCZHYCLDQ-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737218570 598648929 /nfs/dbraw/zinc/64/89/29/598648929.db2.gz MUEDAFCZHYCLDQ-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM CCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503627 599311254 /nfs/dbraw/zinc/31/12/54/599311254.db2.gz YYFOPEDIGMPAOJ-XGICHPGQSA-N -1 3 364.365 2.841 20 5 FFBDHM CCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503627 599311257 /nfs/dbraw/zinc/31/12/57/599311257.db2.gz YYFOPEDIGMPAOJ-XGICHPGQSA-N -1 3 364.365 2.841 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000822213181 599345389 /nfs/dbraw/zinc/34/53/89/599345389.db2.gz XYWKGJNUJKJANK-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000822213181 599345391 /nfs/dbraw/zinc/34/53/91/599345391.db2.gz XYWKGJNUJKJANK-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM CSCC[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962664 599563979 /nfs/dbraw/zinc/56/39/79/599563979.db2.gz VINPFUVGLKUYKE-VIFPVBQESA-N -1 3 359.415 2.877 20 5 FFBDHM CSCC[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962664 599563981 /nfs/dbraw/zinc/56/39/81/599563981.db2.gz VINPFUVGLKUYKE-VIFPVBQESA-N -1 3 359.415 2.877 20 5 FFBDHM Cc1ccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000738292679 600260762 /nfs/dbraw/zinc/26/07/62/600260762.db2.gz RDLMLRICYIUPHJ-UHFFFAOYSA-N -1 3 357.366 2.915 20 5 FFBDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000826054943 601202570 /nfs/dbraw/zinc/20/25/70/601202570.db2.gz SSSVCTMDXWDRMU-PXAZEXFGSA-N -1 3 357.366 2.585 20 5 FFBDHM Cc1sc(C(=O)[O-])cc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833033106 601641266 /nfs/dbraw/zinc/64/12/66/601641266.db2.gz VKFDTIOLQMYXSB-GFCCVEGCSA-N -1 3 362.411 2.744 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832958709 601657285 /nfs/dbraw/zinc/65/72/85/601657285.db2.gz NWSZOPPJWLDUON-ACJLOTCBSA-N -1 3 371.393 2.893 20 5 FFBDHM O=C(Nc1sccc1-c1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823387561 606122453 /nfs/dbraw/zinc/12/24/53/606122453.db2.gz OYJBRJPZCPFPHQ-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1sccc1-c1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823387561 606122454 /nfs/dbraw/zinc/12/24/54/606122454.db2.gz OYJBRJPZCPFPHQ-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821476322 606131109 /nfs/dbraw/zinc/13/11/09/606131109.db2.gz MHNQNZGHBUHNCG-UHFFFAOYSA-N -1 3 353.338 2.694 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821476322 606131111 /nfs/dbraw/zinc/13/11/11/606131111.db2.gz MHNQNZGHBUHNCG-UHFFFAOYSA-N -1 3 353.338 2.694 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NC(C3CC3)C3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645218 606447785 /nfs/dbraw/zinc/44/77/85/606447785.db2.gz PYUNEYGRRQKMKK-UHFFFAOYSA-N -1 3 351.370 2.924 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NC(C3CC3)C3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645218 606447787 /nfs/dbraw/zinc/44/77/87/606447787.db2.gz PYUNEYGRRQKMKK-UHFFFAOYSA-N -1 3 351.370 2.924 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822982710 606665583 /nfs/dbraw/zinc/66/55/83/606665583.db2.gz HCHBVVRHUMIHKU-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822982710 606665584 /nfs/dbraw/zinc/66/55/84/606665584.db2.gz HCHBVVRHUMIHKU-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1COc2c1cccc2Cl ZINC000823629694 606878132 /nfs/dbraw/zinc/87/81/32/606878132.db2.gz FDWOQZFUKVGLIE-GFCCVEGCSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1COc2c1cccc2Cl ZINC000823629694 606878134 /nfs/dbraw/zinc/87/81/34/606878134.db2.gz FDWOQZFUKVGLIE-GFCCVEGCSA-N -1 3 358.745 2.974 20 5 FFBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC000821360792 606880077 /nfs/dbraw/zinc/88/00/77/606880077.db2.gz SMMUOLVPMSWHMA-HUUCEWRRSA-N -1 3 358.402 2.559 20 5 FFBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCC2 ZINC000821360792 606880078 /nfs/dbraw/zinc/88/00/78/606880078.db2.gz SMMUOLVPMSWHMA-HUUCEWRRSA-N -1 3 358.402 2.559 20 5 FFBDHM O=C1CCc2cc([N+](=O)[O-])c(Sc3cccc(-c4nnn[n-]4)c3)cc2N1 ZINC000823535984 606945575 /nfs/dbraw/zinc/94/55/75/606945575.db2.gz NZLUSKNEEPDMGU-UHFFFAOYSA-N -1 3 368.378 2.811 20 5 FFBDHM O=C1CCc2cc([N+](=O)[O-])c(Sc3cccc(-c4nn[n-]n4)c3)cc2N1 ZINC000823535984 606945576 /nfs/dbraw/zinc/94/55/76/606945576.db2.gz NZLUSKNEEPDMGU-UHFFFAOYSA-N -1 3 368.378 2.811 20 5 FFBDHM Cc1c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822020307 606990557 /nfs/dbraw/zinc/99/05/57/606990557.db2.gz AEIZYYBTBGGEQT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822020307 606990560 /nfs/dbraw/zinc/99/05/60/606990560.db2.gz AEIZYYBTBGGEQT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000822299796 607032863 /nfs/dbraw/zinc/03/28/63/607032863.db2.gz VDUPQYXCRQIRRM-AWEZNQCLSA-N -1 3 351.370 2.820 20 5 FFBDHM Cc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000822299796 607032865 /nfs/dbraw/zinc/03/28/65/607032865.db2.gz VDUPQYXCRQIRRM-AWEZNQCLSA-N -1 3 351.370 2.820 20 5 FFBDHM COc1ccc(OCCOc2cc(-c3nnn[n-]3)ccc2C)c([N+](=O)[O-])c1 ZINC000821845913 607041744 /nfs/dbraw/zinc/04/17/44/607041744.db2.gz LUCODPVDAZNKPA-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1ccc(OCCOc2cc(-c3nn[n-]n3)ccc2C)c([N+](=O)[O-])c1 ZINC000821845913 607041746 /nfs/dbraw/zinc/04/17/46/607041746.db2.gz LUCODPVDAZNKPA-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826498317 607874181 /nfs/dbraw/zinc/87/41/81/607874181.db2.gz PIMRHPUOOCHLBC-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826498317 607874182 /nfs/dbraw/zinc/87/41/82/607874182.db2.gz PIMRHPUOOCHLBC-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc(CCNc2nc3ccccc3cc2-c2nnn[n-]2)c1 ZINC000826499387 607968512 /nfs/dbraw/zinc/96/85/12/607968512.db2.gz HBNAFNZRDPYMAM-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1cccc(CCNc2nc3ccccc3cc2-c2nn[n-]n2)c1 ZINC000826499387 607968513 /nfs/dbraw/zinc/96/85/13/607968513.db2.gz HBNAFNZRDPYMAM-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000824009644 607973002 /nfs/dbraw/zinc/97/30/02/607973002.db2.gz BTOGCWSSWDWIQN-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000824009644 607973003 /nfs/dbraw/zinc/97/30/03/607973003.db2.gz BTOGCWSSWDWIQN-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826304673 608008771 /nfs/dbraw/zinc/00/87/71/608008771.db2.gz UHYQGDYXNSYLOP-UHFFFAOYSA-N -1 3 361.264 2.581 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826304673 608008772 /nfs/dbraw/zinc/00/87/72/608008772.db2.gz UHYQGDYXNSYLOP-UHFFFAOYSA-N -1 3 361.264 2.581 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826278813 608154951 /nfs/dbraw/zinc/15/49/51/608154951.db2.gz UUHWJXIXLFNOMY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826278813 608154952 /nfs/dbraw/zinc/15/49/52/608154952.db2.gz UUHWJXIXLFNOMY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC12CCCC2 ZINC000826450551 608164035 /nfs/dbraw/zinc/16/40/35/608164035.db2.gz QXXHJIRSFKBQSO-VIFPVBQESA-N -1 3 362.777 2.947 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CC12CCCC2 ZINC000826450551 608164037 /nfs/dbraw/zinc/16/40/37/608164037.db2.gz QXXHJIRSFKBQSO-VIFPVBQESA-N -1 3 362.777 2.947 20 5 FFBDHM CCOc1cc(N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1[N+](=O)[O-] ZINC000825616016 608191833 /nfs/dbraw/zinc/19/18/33/608191833.db2.gz TUPGUMZJTZYXCT-UHFFFAOYSA-N -1 3 352.354 2.868 20 5 FFBDHM CCOc1cc(N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1[N+](=O)[O-] ZINC000825616016 608191835 /nfs/dbraw/zinc/19/18/35/608191835.db2.gz TUPGUMZJTZYXCT-UHFFFAOYSA-N -1 3 352.354 2.868 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826499673 608533175 /nfs/dbraw/zinc/53/31/75/608533175.db2.gz RTLSHCMBOZPEIW-UHFFFAOYSA-N -1 3 354.345 2.693 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826499673 608533178 /nfs/dbraw/zinc/53/31/78/608533178.db2.gz RTLSHCMBOZPEIW-UHFFFAOYSA-N -1 3 354.345 2.693 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826263551 608828880 /nfs/dbraw/zinc/82/88/80/608828880.db2.gz GXELPHIHEDQRJO-UHFFFAOYSA-N -1 3 353.338 2.919 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826263551 608828883 /nfs/dbraw/zinc/82/88/83/608828883.db2.gz GXELPHIHEDQRJO-UHFFFAOYSA-N -1 3 353.338 2.919 20 5 FFBDHM CC(=CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942310 609507298 /nfs/dbraw/zinc/50/72/98/609507298.db2.gz AWRIQGYRGUEASK-VAWYXSNFSA-N -1 3 364.365 2.841 20 5 FFBDHM CC(=CC(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823942310 609507300 /nfs/dbraw/zinc/50/73/00/609507300.db2.gz AWRIQGYRGUEASK-VAWYXSNFSA-N -1 3 364.365 2.841 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCc1ccc(F)c(F)c1F ZINC000826497719 609592202 /nfs/dbraw/zinc/59/22/02/609592202.db2.gz RLWRTAXJYLSSLI-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCc1ccc(F)c(F)c1F ZINC000826497719 609592203 /nfs/dbraw/zinc/59/22/03/609592203.db2.gz RLWRTAXJYLSSLI-UHFFFAOYSA-N -1 3 364.287 2.847 20 5 FFBDHM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)cn1 ZINC000746601036 735497380 /nfs/dbraw/zinc/49/73/80/735497380.db2.gz UOPUCDFDZAQACJ-UHFFFAOYSA-N -1 3 355.803 2.791 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129437350 728711534 /nfs/dbraw/zinc/71/15/34/728711534.db2.gz OJPHOMMBSSGBTR-VIFPVBQESA-N -1 3 363.757 2.711 20 5 FFBDHM Cc1ccc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1Br ZINC000865941467 731013660 /nfs/dbraw/zinc/01/36/60/731013660.db2.gz DHKWTBUMAPZUQG-VIFPVBQESA-N -1 3 355.192 2.590 20 5 FFBDHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000731610506 734687081 /nfs/dbraw/zinc/68/70/81/734687081.db2.gz MOACQGBSQNLCTN-UHFFFAOYSA-N -1 3 350.277 2.695 20 5 FFBDHM CN(C)C(=O)Sc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000733362232 734813699 /nfs/dbraw/zinc/81/36/99/734813699.db2.gz JATVXAFPDCPTKE-UHFFFAOYSA-N -1 3 362.367 2.721 20 5 FFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000736635801 734991700 /nfs/dbraw/zinc/99/17/00/734991700.db2.gz SNMPPDPRRZILEU-OAHLLOKOSA-N -1 3 353.375 2.805 20 5 FFBDHM COc1cc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)cc(OC)c1[O-] ZINC000784360493 738883286 /nfs/dbraw/zinc/88/32/86/738883286.db2.gz LATASPATBAUKNA-UHFFFAOYSA-N -1 3 351.286 2.814 20 5 FFBDHM O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])Nc1ccccc1[N+](=O)[O-] ZINC000748478863 735648951 /nfs/dbraw/zinc/64/89/51/735648951.db2.gz OCZIGNZBHDFLMG-UHFFFAOYSA-N -1 3 368.704 2.888 20 5 FFBDHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccn1 ZINC000748612117 735659083 /nfs/dbraw/zinc/65/90/83/735659083.db2.gz GJWZSPZYAFIJGO-UHFFFAOYSA-N -1 3 356.791 2.510 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760406338 736636535 /nfs/dbraw/zinc/63/65/35/736636535.db2.gz MJPMRSCRKZTQBA-MRVPVSSYSA-N -1 3 374.216 2.725 20 5 FFBDHM CC(C)(C)OC(=O)NC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000763431578 736937500 /nfs/dbraw/zinc/93/75/00/736937500.db2.gz IQQWOLUIBWIRLN-CQSZACIVSA-N -1 3 351.403 2.693 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCOC2)c(F)cc1[N+](=O)[O-] ZINC000921847550 738054638 /nfs/dbraw/zinc/05/46/38/738054638.db2.gz COWTWJIBUJEZCU-BLLLJJGKSA-N -1 3 372.418 2.526 20 5 FFBDHM O=C([N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)C1(O)CCC1 ZINC000787607253 739150907 /nfs/dbraw/zinc/15/09/07/739150907.db2.gz VVZHPGUHRAQGHA-UHFFFAOYSA-N -1 3 368.258 2.780 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1F ZINC000800051942 740478651 /nfs/dbraw/zinc/47/86/51/740478651.db2.gz ANOZIDHIHLPDPT-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808341859 741216214 /nfs/dbraw/zinc/21/62/14/741216214.db2.gz ICJPXEKISBVSFV-BONVTDFDSA-N -1 3 370.814 2.649 20 5 FFBDHM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cn1 ZINC000811832511 741565169 /nfs/dbraw/zinc/56/51/69/741565169.db2.gz SFIQNSGUZHJJJJ-UHFFFAOYSA-N -1 3 357.775 2.843 20 5 FFBDHM Cc1c(Cl)cnc(NCCc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826240366 743375285 /nfs/dbraw/zinc/37/52/85/743375285.db2.gz PAMSGSYISLEQSH-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM Cc1c(Cl)cnc(NCCc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826240366 743375296 /nfs/dbraw/zinc/37/52/96/743375296.db2.gz PAMSGSYISLEQSH-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM CCn1ccnc1[C@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848592738 748969130 /nfs/dbraw/zinc/96/91/30/748969130.db2.gz ZIPPXJHIYPVNPG-JTQLQIEISA-N -1 3 354.313 2.660 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000851857656 749705815 /nfs/dbraw/zinc/70/58/15/749705815.db2.gz XBUPLIDZEJFCKI-UHFFFAOYSA-N -1 3 352.359 2.563 20 5 FFBDHM CC1(C)CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000851867643 749710639 /nfs/dbraw/zinc/71/06/39/749710639.db2.gz CGDKSGRCHCFUCV-UHFFFAOYSA-N -1 3 363.233 2.824 20 5 FFBDHM CC(C)(C)OC(=O)N1CCCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853327727 750048898 /nfs/dbraw/zinc/04/88/98/750048898.db2.gz BOWNIFKIMJAKGI-NSHDSACASA-N -1 3 352.391 2.897 20 5 FFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000822977954 946244266 /nfs/dbraw/zinc/24/42/66/946244266.db2.gz CYVKOKIVVDUVFJ-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000822977954 946244277 /nfs/dbraw/zinc/24/42/77/946244277.db2.gz CYVKOKIVVDUVFJ-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM COc1ccc2c(c1)OCCN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C2 ZINC000894277811 964148735 /nfs/dbraw/zinc/14/87/35/964148735.db2.gz NEFKLUJJMFQITH-UHFFFAOYSA-N -1 3 360.366 2.712 20 5 FFBDHM COc1ccc(-n2nnc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)c2C)cc1 ZINC000193721112 988851023 /nfs/dbraw/zinc/85/10/23/988851023.db2.gz NDBNRMMGLPVGQS-UHFFFAOYSA-N -1 3 371.328 2.884 20 5 FFBDHM Cc1cccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000125856890 989016877 /nfs/dbraw/zinc/01/68/77/989016877.db2.gz GEISXEKBENGSTQ-UHFFFAOYSA-N -1 3 357.410 2.813 20 5 FFBDHM COc1ccc(COCCN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001599575990 998443783 /nfs/dbraw/zinc/44/37/83/998443783.db2.gz RZOJPMRQNZNXCO-LJQANCHMSA-N -1 3 374.393 2.710 20 5 FFBDHM CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2)CC1 ZINC000771915205 1001248601 /nfs/dbraw/zinc/24/86/01/1001248601.db2.gz QXAURIGGAKLSBZ-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@H]2C)cc1F ZINC001185413704 1002949229 /nfs/dbraw/zinc/94/92/29/1002949229.db2.gz WXTVBQKSQXCUBX-CHWSQXEVSA-N -1 3 373.450 2.584 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])s1 ZINC001191802282 1003959870 /nfs/dbraw/zinc/95/98/70/1003959870.db2.gz VGHSOSAQLPRAOH-RISCZKNCSA-N -1 3 370.452 2.674 20 5 FFBDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001192056007 1004047079 /nfs/dbraw/zinc/04/70/79/1004047079.db2.gz HIJRBYNHAQOENL-DGCLKSJQSA-N -1 3 362.448 2.995 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(C3CC3)no2)c(Cl)c1 ZINC001194637013 1004776865 /nfs/dbraw/zinc/77/68/65/1004776865.db2.gz WSCNKIQCBBDZKA-UHFFFAOYSA-N -1 3 357.775 2.592 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(=O)c2ccc([O-])cc2)c1F ZINC001173180823 1012325064 /nfs/dbraw/zinc/32/50/64/1012325064.db2.gz UCIYUGGEOBLVKY-NSHDSACASA-N -1 3 362.357 2.852 20 5 FFBDHM COc1c(C(=O)[N-]c2nnc(-c3ccncc3)s2)cccc1[N+](=O)[O-] ZINC001116868033 1021462444 /nfs/dbraw/zinc/46/24/44/1021462444.db2.gz RWLGIVHNVNSJEX-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])nc1C ZINC001124394896 1024326157 /nfs/dbraw/zinc/32/61/57/1024326157.db2.gz CKBGUVBRBBBEJV-UHFFFAOYSA-N -1 3 353.331 2.928 20 5 FFBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000837620439 1025930485 /nfs/dbraw/zinc/93/04/85/1025930485.db2.gz OHPKGFUDOPSNQM-UHFFFAOYSA-N -1 3 365.292 2.803 20 5 FFBDHM CNc1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1[N+](=O)[O-] ZINC001158782976 1027134121 /nfs/dbraw/zinc/13/41/21/1027134121.db2.gz DJNNYHLHIXMIKP-AULYBMBSSA-N -1 3 371.397 2.588 20 5 FFBDHM CC1(C)CC(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2O1 ZINC001161713215 1028292656 /nfs/dbraw/zinc/29/26/56/1028292656.db2.gz QXSIMWKYXVSHQJ-UHFFFAOYSA-N -1 3 357.322 2.692 20 5 FFBDHM O=c1[n-]ccc(NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c1[N+](=O)[O-] ZINC001163539339 1028963521 /nfs/dbraw/zinc/96/35/21/1028963521.db2.gz VZBXFAHDTUAAQC-UHFFFAOYSA-N -1 3 360.761 2.789 20 5 FFBDHM COc1cc(NCc2cc(=O)[n-]c(C3CCC3)n2)c([N+](=O)[O-])cc1OC ZINC001163831025 1029082114 /nfs/dbraw/zinc/08/21/14/1029082114.db2.gz IFEZMDCDTZDXOP-UHFFFAOYSA-N -1 3 360.370 2.987 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000783182458 1029955122 /nfs/dbraw/zinc/95/51/22/1029955122.db2.gz AVMICPOEBODBPQ-UHFFFAOYSA-N -1 3 371.305 2.716 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nncn1-c1ccccc1 ZINC001151330511 1031924123 /nfs/dbraw/zinc/92/41/23/1031924123.db2.gz QCNIIKQUUHYIKO-UHFFFAOYSA-N -1 3 353.338 2.827 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC2(CC(Oc3nccc([O-])c3[N+](=O)[O-])C2)C1 ZINC001225660057 1034354632 /nfs/dbraw/zinc/35/46/32/1034354632.db2.gz CAXPOIPKJFNMRR-UHFFFAOYSA-N -1 3 365.386 2.864 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@@H](F)C1 ZINC001225660839 1034355449 /nfs/dbraw/zinc/35/54/49/1034355449.db2.gz HJUWWURBNNJNEV-JQWIXIFHSA-N -1 3 371.365 2.812 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)[C@@H](F)C1 ZINC001227741145 1035707897 /nfs/dbraw/zinc/70/78/97/1035707897.db2.gz ICCXQGISBGZVKW-GXFFZTMASA-N -1 3 366.349 2.807 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)[C@@H](F)C1 ZINC001227741145 1035707917 /nfs/dbraw/zinc/70/79/17/1035707917.db2.gz ICCXQGISBGZVKW-GXFFZTMASA-N -1 3 366.349 2.807 20 5 FFBDHM O=[N+]([O-])C[C@@H](Oc1[n-]c(=S)nc2cnccc21)c1ccc2c(c1)OCO2 ZINC001227886075 1035788093 /nfs/dbraw/zinc/78/80/93/1035788093.db2.gz QDKVEXNPKGKCKJ-CQSZACIVSA-N -1 3 372.362 2.813 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001228685699 1036253602 /nfs/dbraw/zinc/25/36/02/1036253602.db2.gz JMUFJRJQEFIMNG-SKDRFNHKSA-N -1 3 353.375 2.638 20 5 FFBDHM Cc1[n-]c(=O)cc(OC2CC3(CCN3C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228686250 1036257756 /nfs/dbraw/zinc/25/77/56/1036257756.db2.gz NAOKZMWBBRSPPF-UHFFFAOYSA-N -1 3 365.386 2.925 20 5 FFBDHM CCN(CC)C(=O)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1 ZINC001228688467 1036259130 /nfs/dbraw/zinc/25/91/30/1036259130.db2.gz JFSNPVTVXDTOAP-KRWDZBQOSA-N -1 3 359.382 2.992 20 5 FFBDHM Cc1[n-]c(=O)cc(OC[C@H]2CN([C@H](C)c3ccccc3)C(=O)O2)c1[N+](=O)[O-] ZINC001228689374 1036260826 /nfs/dbraw/zinc/26/08/26/1036260826.db2.gz SWFVCOGIHSERHM-TZMCWYRMSA-N -1 3 373.365 2.965 20 5 FFBDHM COc1cc([O-])cc2oc3cc([O-])c(O[C@H](C)C[N+](C)(C)C)cc3c(=O)c12 ZINC001234802365 1037184748 /nfs/dbraw/zinc/18/47/48/1037184748.db2.gz XAIGALZMNKPCBP-LLVKDONJSA-O -1 3 374.413 2.840 20 5 FFBDHM O=c1nc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)c2c([n-]1)CCS2 ZINC001230793358 1037361487 /nfs/dbraw/zinc/36/14/87/1037361487.db2.gz ZWAUCGWNPFIFJH-UHFFFAOYSA-N -1 3 374.422 2.786 20 5 FFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001210631833 1039643744 /nfs/dbraw/zinc/64/37/44/1039643744.db2.gz KQAGLMLOASHEIQ-NXEZZACHSA-N -1 3 350.487 2.917 20 5 FFBDHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001213247002 1040370248 /nfs/dbraw/zinc/37/02/48/1040370248.db2.gz ISVCJTKOSHYTMJ-BMIGLBTASA-N -1 3 370.814 2.649 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC001538334928 1070411364 /nfs/dbraw/zinc/41/13/64/1070411364.db2.gz ZVSVAZKTDXTROE-UHFFFAOYSA-N -1 3 363.683 2.956 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC001538334928 1070411369 /nfs/dbraw/zinc/41/13/69/1070411369.db2.gz ZVSVAZKTDXTROE-UHFFFAOYSA-N -1 3 363.683 2.956 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CCC2)c(F)c1 ZINC001309793394 1043529003 /nfs/dbraw/zinc/52/90/03/1043529003.db2.gz ZANOLTLKVACRMD-AWEZNQCLSA-N -1 3 358.391 2.504 20 5 FFBDHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001322708226 1046190624 /nfs/dbraw/zinc/19/06/24/1046190624.db2.gz ADIZMQJLRCTIDX-UHFFFAOYSA-N -1 3 356.382 2.523 20 5 FFBDHM CCOC(=O)c1nc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])sc1C ZINC001287567655 1047312444 /nfs/dbraw/zinc/31/24/44/1047312444.db2.gz JOCJAPDCLQCPAN-UHFFFAOYSA-N -1 3 353.331 2.928 20 5 FFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCC(F)F)ccc1Br ZINC001333489710 1048934758 /nfs/dbraw/zinc/93/47/58/1048934758.db2.gz PEQYFZBHHZCOIA-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1nc(C(F)(F)F)n[n-]1 ZINC001304133449 1051551871 /nfs/dbraw/zinc/55/18/71/1051551871.db2.gz WLTSZXIKQMYPAK-RXMQYKEDSA-N -1 3 363.683 2.876 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc([C@H](C)O)cc2)c(F)cc1[N+](=O)[O-] ZINC001309223300 1052578504 /nfs/dbraw/zinc/57/85/04/1052578504.db2.gz CYBYOUXXBQZDDD-NSHDSACASA-N -1 3 368.386 2.574 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(F)cc1[N+](=O)[O-] ZINC001309251450 1052584510 /nfs/dbraw/zinc/58/45/10/1052584510.db2.gz ZOSYWNFIYDGYQC-VQISRLSMSA-N -1 3 372.418 2.524 20 5 FFBDHM COc1ccc([N-]C(=O)c2nc(C)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC001349950285 1055556161 /nfs/dbraw/zinc/55/61/61/1055556161.db2.gz BITINIMWKINUMK-UHFFFAOYSA-N -1 3 356.260 2.973 20 5 FFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1noc(-c2cccc(F)c2)n1 ZINC000611158198 1056443116 /nfs/dbraw/zinc/44/31/16/1056443116.db2.gz ULIZTOZEEHBONA-UHFFFAOYSA-N -1 3 368.284 2.913 20 5 FFBDHM COc1ccc(-n2cc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)nn2)cc1 ZINC001355005210 1059758662 /nfs/dbraw/zinc/75/86/62/1059758662.db2.gz SJDKZEQCMZWYRC-UHFFFAOYSA-N -1 3 357.301 2.576 20 5 FFBDHM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001455387345 1059775954 /nfs/dbraw/zinc/77/59/54/1059775954.db2.gz JXYKZCZXNMRZFF-UHFFFAOYSA-N -1 3 360.757 2.777 20 5 FFBDHM O=C([N-]Cc1noc2c1CCCC2)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848590030 1060321461 /nfs/dbraw/zinc/32/14/61/1060321461.db2.gz PTKZTPRKFBGLMH-UHFFFAOYSA-N -1 3 367.308 2.750 20 5 FFBDHM CCc1[nH]nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1-c1cccs1 ZINC001457433552 1060382594 /nfs/dbraw/zinc/38/25/94/1060382594.db2.gz OMVGRODRNDSESE-UHFFFAOYSA-N -1 3 359.367 2.962 20 5 FFBDHM O=c1c2ccccc2n(Cc2nnc(-c3ccccc3[O-])o2)cc1[N+](=O)[O-] ZINC001459099893 1060706879 /nfs/dbraw/zinc/70/68/79/1060706879.db2.gz MFSWUCGGLZIDLF-UHFFFAOYSA-N -1 3 364.317 2.714 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C1CCCCC1 ZINC001475533112 1061128351 /nfs/dbraw/zinc/12/83/51/1061128351.db2.gz NGNAEBDXMWVFTA-LBPRGKRZSA-N -1 3 362.473 2.838 20 5 FFBDHM Cc1nocc1[N-]C(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001527078129 1061377366 /nfs/dbraw/zinc/37/73/66/1061377366.db2.gz SUJAWTUYOYWVEV-UHFFFAOYSA-N -1 3 373.106 2.748 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ccncc2)c(F)cc1[N+](=O)[O-] ZINC001463363096 1062069757 /nfs/dbraw/zinc/06/97/57/1062069757.db2.gz QGWNRVGDYIGMQB-UHFFFAOYSA-N -1 3 367.402 2.693 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccc([N+](=O)[O-])cc1 ZINC001464494098 1062644438 /nfs/dbraw/zinc/64/44/38/1062644438.db2.gz QQPFMHJFSVLJHI-MRVPVSSYSA-N -1 3 359.766 2.822 20 5 FFBDHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC001468424626 1063983619 /nfs/dbraw/zinc/98/36/19/1063983619.db2.gz HUSWVMVPBILFIA-UHFFFAOYSA-N -1 3 367.159 2.601 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])n1 ZINC001469700837 1064195587 /nfs/dbraw/zinc/19/55/87/1064195587.db2.gz YOQAUEHCJFOSHP-UHFFFAOYSA-N -1 3 362.361 2.522 20 5 FFBDHM C[C@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001575116518 1078108259 /nfs/dbraw/zinc/10/82/59/1078108259.db2.gz DEJLPEMVOQNUFW-SNVBAGLBSA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001575116518 1078108260 /nfs/dbraw/zinc/10/82/60/1078108260.db2.gz DEJLPEMVOQNUFW-SNVBAGLBSA-N -1 3 369.341 2.899 20 5 FFBDHM O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCC(c2nnn[n-]2)CC1 ZINC001472856624 1065159285 /nfs/dbraw/zinc/15/92/85/1065159285.db2.gz DZWFBOWQZHAPNA-UHFFFAOYSA-N -1 3 359.777 2.694 20 5 FFBDHM O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCC(c2nn[n-]n2)CC1 ZINC001472856624 1065159288 /nfs/dbraw/zinc/15/92/88/1065159288.db2.gz DZWFBOWQZHAPNA-UHFFFAOYSA-N -1 3 359.777 2.694 20 5 FFBDHM Cc1cccc2c1CCN(c1cc(F)c(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001581248390 1078946563 /nfs/dbraw/zinc/94/65/63/1078946563.db2.gz ZWPDZWJQHLGJJJ-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1cccc2c1CCN(c1cc(F)c(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001581248390 1078946570 /nfs/dbraw/zinc/94/65/70/1078946570.db2.gz ZWPDZWJQHLGJJJ-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1ccccc1[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001581261050 1078947743 /nfs/dbraw/zinc/94/77/43/1078947743.db2.gz QKROXNOAPNRIKQ-WCQYABFASA-N -1 3 351.370 2.634 20 5 FFBDHM Cc1ccccc1[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001581261050 1078947747 /nfs/dbraw/zinc/94/77/47/1078947747.db2.gz QKROXNOAPNRIKQ-WCQYABFASA-N -1 3 351.370 2.634 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC001582060067 1079023891 /nfs/dbraw/zinc/02/38/91/1079023891.db2.gz PTSQFSSSLZTGJT-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC001582060067 1079023898 /nfs/dbraw/zinc/02/38/98/1079023898.db2.gz PTSQFSSSLZTGJT-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001582632988 1079078407 /nfs/dbraw/zinc/07/84/07/1079078407.db2.gz ZGYRAAQJHFVTFI-WCABBAIRSA-N -1 3 374.788 2.969 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001582632988 1079078414 /nfs/dbraw/zinc/07/84/14/1079078414.db2.gz ZGYRAAQJHFVTFI-WCABBAIRSA-N -1 3 374.788 2.969 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCc2ccc(Cl)cc2C1 ZINC001582803762 1079109429 /nfs/dbraw/zinc/10/94/29/1079109429.db2.gz UDUYAQUXDYQQCS-UHFFFAOYSA-N -1 3 370.800 2.987 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCc2ccc(Cl)cc2C1 ZINC001582803762 1079109432 /nfs/dbraw/zinc/10/94/32/1079109432.db2.gz UDUYAQUXDYQQCS-UHFFFAOYSA-N -1 3 370.800 2.987 20 5 FFBDHM C[C@@](O)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1Br ZINC001559176435 1076132392 /nfs/dbraw/zinc/13/23/92/1076132392.db2.gz DMNAKRPCMMIQPL-CQSZACIVSA-N -1 3 368.187 2.778 20 5 FFBDHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001586484156 1079637177 /nfs/dbraw/zinc/63/71/77/1079637177.db2.gz LZHWZUGJTZKRMU-RDTXWAMCSA-N -1 3 369.421 2.941 20 5 FFBDHM CC(=O)Nc1ccc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC001588878272 1080227728 /nfs/dbraw/zinc/22/77/28/1080227728.db2.gz APYSSGDZOHOYCP-UHFFFAOYSA-N -1 3 371.332 2.924 20 5 FFBDHM CC(=O)Nc1ccc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC001588878272 1080227738 /nfs/dbraw/zinc/22/77/38/1080227738.db2.gz APYSSGDZOHOYCP-UHFFFAOYSA-N -1 3 371.332 2.924 20 5 FFBDHM C[C@](CNCc1nc2cc([N+](=O)[O-])ccc2o1)(C(=O)[O-])c1ccccc1 ZINC001589070338 1080337410 /nfs/dbraw/zinc/33/74/10/1080337410.db2.gz SLYQRCJNRNCDJB-GOSISDBHSA-N -1 3 355.350 2.868 20 5 FFBDHM CC(C)(C)O[C@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589198068 1080411442 /nfs/dbraw/zinc/41/14/42/1080411442.db2.gz MXIXCSQWVHJVPN-KYZUINATSA-N -1 3 350.354 2.672 20 5 FFBDHM CC(C)(C)O[C@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589198068 1080411446 /nfs/dbraw/zinc/41/14/46/1080411446.db2.gz MXIXCSQWVHJVPN-KYZUINATSA-N -1 3 350.354 2.672 20 5 FFBDHM CC(C)Oc1ccc(CCNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589754193 1080708123 /nfs/dbraw/zinc/70/81/23/1080708123.db2.gz OOIGRSMKHQQCSR-UHFFFAOYSA-N -1 3 369.385 2.612 20 5 FFBDHM CC(C)Oc1ccc(CCNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589754193 1080708128 /nfs/dbraw/zinc/70/81/28/1080708128.db2.gz OOIGRSMKHQQCSR-UHFFFAOYSA-N -1 3 369.385 2.612 20 5 FFBDHM CC(C)Oc1ncccc1CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589759390 1080714478 /nfs/dbraw/zinc/71/44/78/1080714478.db2.gz JKCAWWSFVWHOTI-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM CC(C)Oc1ncccc1CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589759390 1080714486 /nfs/dbraw/zinc/71/44/86/1080714486.db2.gz JKCAWWSFVWHOTI-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM CC(C)Oc1ncccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589759492 1080715152 /nfs/dbraw/zinc/71/51/52/1080715152.db2.gz NQCDDTCIOWVFNA-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM CC(C)Oc1ncccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589759492 1080715156 /nfs/dbraw/zinc/71/51/56/1080715156.db2.gz NQCDDTCIOWVFNA-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM CC(C)c1[nH]ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589764910 1080720147 /nfs/dbraw/zinc/72/01/47/1080720147.db2.gz FCRNINQBCJMREA-UHFFFAOYSA-N -1 3 356.342 2.583 20 5 FFBDHM CC(C)c1[nH]ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589764910 1080720154 /nfs/dbraw/zinc/72/01/54/1080720154.db2.gz FCRNINQBCJMREA-UHFFFAOYSA-N -1 3 356.342 2.583 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001589977905 1080916766 /nfs/dbraw/zinc/91/67/66/1080916766.db2.gz AKRMTPOMQKOKDY-ZHZWEUQESA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001589977905 1080916772 /nfs/dbraw/zinc/91/67/72/1080916772.db2.gz AKRMTPOMQKOKDY-ZHZWEUQESA-N -1 3 372.410 2.685 20 5 FFBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c2cc(F)ccc21 ZINC001590108731 1081018485 /nfs/dbraw/zinc/01/84/85/1081018485.db2.gz HFRVWEASHZRMFC-UHFFFAOYSA-N -1 3 355.333 2.738 20 5 FFBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c2cc(F)ccc21 ZINC001590108731 1081018496 /nfs/dbraw/zinc/01/84/96/1081018496.db2.gz HFRVWEASHZRMFC-UHFFFAOYSA-N -1 3 355.333 2.738 20 5 FFBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])OCCc2sccc21 ZINC001590134002 1081039545 /nfs/dbraw/zinc/03/95/45/1081039545.db2.gz KONJJABKAGVPFQ-MRXNPFEDSA-N -1 3 372.410 2.736 20 5 FFBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])OCCc2sccc21 ZINC001590134002 1081039550 /nfs/dbraw/zinc/03/95/50/1081039550.db2.gz KONJJABKAGVPFQ-MRXNPFEDSA-N -1 3 372.410 2.736 20 5 FFBDHM Cc1ccc(CC(=O)[N-]O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000267375962 251337862 /nfs/dbraw/zinc/33/78/62/251337862.db2.gz FNSKZAXJCPAVAS-CQSZACIVSA-N -1 3 371.393 2.829 20 5 FFBDHM O=C(NC1CCN(CCc2ccccc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272487113 252051036 /nfs/dbraw/zinc/05/10/36/252051036.db2.gz BVXUVONAZLXCIN-UHFFFAOYSA-N -1 3 369.421 2.737 20 5 FFBDHM C[C@H](CO[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000273136592 252227021 /nfs/dbraw/zinc/22/70/21/252227021.db2.gz WAUDBPICCITQED-SECBINFHSA-N -1 3 373.793 2.823 20 5 FFBDHM O=C([N-][C@H]1CCO[C@@H]1c1cccnc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000275291781 255982214 /nfs/dbraw/zinc/98/22/14/255982214.db2.gz ATZLKCXLKCKJNE-LSDHHAIUSA-N -1 3 363.320 2.728 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c(Br)c1 ZINC000331353911 258182733 /nfs/dbraw/zinc/18/27/33/258182733.db2.gz YUIXATZKNIBHQL-SECBINFHSA-N -1 3 361.217 2.744 20 5 FFBDHM CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000012737721 506894032 /nfs/dbraw/zinc/89/40/32/506894032.db2.gz QEZUVFVCDKWNGB-UHFFFAOYSA-N -1 3 350.718 2.560 20 5 FFBDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc([N+](=O)[O-])c3)nc2)n1 ZINC000068693240 507302515 /nfs/dbraw/zinc/30/25/15/507302515.db2.gz CZYQUYAYBYVIPS-UHFFFAOYSA-N -1 3 351.366 2.915 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000023397927 507351377 /nfs/dbraw/zinc/35/13/77/507351377.db2.gz ROZUUIOWEJCJEH-GFCCVEGCSA-N -1 3 350.396 2.685 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccc(F)cc2)cc1C ZINC000060499224 507555296 /nfs/dbraw/zinc/55/52/96/507555296.db2.gz FIPSKJHMYVPDDJ-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000072083445 507747338 /nfs/dbraw/zinc/74/73/38/507747338.db2.gz GOJBVOCKUDOIEM-MRXNPFEDSA-N -1 3 369.377 2.852 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000064343168 507791674 /nfs/dbraw/zinc/79/16/74/507791674.db2.gz XDQAYGXTGJUGMV-UHFFFAOYSA-N -1 3 350.334 2.906 20 5 FFBDHM CCc1nn(C)c(NCc2ccc([O-])c(Br)c2)c1[N+](=O)[O-] ZINC000091743872 508006737 /nfs/dbraw/zinc/00/67/37/508006737.db2.gz LIIFQVOCDDCSPX-UHFFFAOYSA-N -1 3 355.192 2.971 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000077393583 508310377 /nfs/dbraw/zinc/31/03/77/508310377.db2.gz SWXMUMBZWXMRKR-UHFFFAOYSA-N -1 3 362.407 2.828 20 5 FFBDHM COc1cc(CNC[C@](C)(O)c2ccc(F)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000114509275 508323217 /nfs/dbraw/zinc/32/32/17/508323217.db2.gz DAMQMXHWBFXZNQ-KRWDZBQOSA-N -1 3 368.336 2.585 20 5 FFBDHM COc1c(F)cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000133494853 508406852 /nfs/dbraw/zinc/40/68/52/508406852.db2.gz UILOSPRPNLXUKV-UHFFFAOYSA-N -1 3 372.349 2.866 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000153332161 508573171 /nfs/dbraw/zinc/57/31/71/508573171.db2.gz VFPZJQDLKIDVKS-ZDUSSCGKSA-N -1 3 355.441 2.930 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000128912984 508658793 /nfs/dbraw/zinc/65/87/93/508658793.db2.gz OOXDMCGBFALKAJ-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000123496562 508696137 /nfs/dbraw/zinc/69/61/37/508696137.db2.gz ZMGUDBFCJINQGN-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)cc1[N+](=O)[O-] ZINC000123998690 508769381 /nfs/dbraw/zinc/76/93/81/508769381.db2.gz GWPMLQOVYYQOLS-JTQLQIEISA-N -1 3 356.425 2.711 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119683921 508843785 /nfs/dbraw/zinc/84/37/85/508843785.db2.gz XLEVGLGAEQCJQV-JTQLQIEISA-N -1 3 372.410 2.838 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119683921 508843789 /nfs/dbraw/zinc/84/37/89/508843789.db2.gz XLEVGLGAEQCJQV-JTQLQIEISA-N -1 3 372.410 2.838 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCC1 ZINC000125335784 508967914 /nfs/dbraw/zinc/96/79/14/508967914.db2.gz BTSQMGSUPYSYHP-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000131830108 508974162 /nfs/dbraw/zinc/97/41/62/508974162.db2.gz GNXQNPZYJIWLCP-ZDUSSCGKSA-N -1 3 372.406 2.820 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000125634727 509009659 /nfs/dbraw/zinc/00/96/59/509009659.db2.gz QNJBYMNCIKKCJJ-UHFFFAOYSA-N -1 3 359.454 2.777 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000125681147 509015951 /nfs/dbraw/zinc/01/59/51/509015951.db2.gz JAORMMKKMNJRKL-AAEUAGOBSA-N -1 3 362.473 2.574 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000121091822 509126062 /nfs/dbraw/zinc/12/60/62/509126062.db2.gz CXYOZHFOKDLVQI-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000121091822 509126064 /nfs/dbraw/zinc/12/60/64/509126064.db2.gz CXYOZHFOKDLVQI-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM COc1ccc([N-]C(=O)c2cn(-c3ccc(C)cc3)nn2)c([N+](=O)[O-])c1 ZINC000121148987 509139411 /nfs/dbraw/zinc/13/94/11/509139411.db2.gz CIDHTPIWZHUOOW-UHFFFAOYSA-N -1 3 353.338 2.745 20 5 FFBDHM CCSc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccn1 ZINC000188636787 509185632 /nfs/dbraw/zinc/18/56/32/509185632.db2.gz HYKMAZTXMDETRN-UHFFFAOYSA-N -1 3 353.425 2.580 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC000185535831 509226950 /nfs/dbraw/zinc/22/69/50/509226950.db2.gz PLVWCUHQGUGHLN-VIFPVBQESA-N -1 3 358.333 2.600 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000185535831 509226957 /nfs/dbraw/zinc/22/69/57/509226957.db2.gz PLVWCUHQGUGHLN-VIFPVBQESA-N -1 3 358.333 2.600 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000162656520 509274057 /nfs/dbraw/zinc/27/40/57/509274057.db2.gz UDXOINFBSSOGNB-DGCLKSJQSA-N -1 3 374.846 2.793 20 5 FFBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164038662 509455994 /nfs/dbraw/zinc/45/59/94/509455994.db2.gz CPHPAOPIYDTSOV-QGZVFWFLSA-N -1 3 355.394 2.867 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)cc1C ZINC000186162486 509553981 /nfs/dbraw/zinc/55/39/81/509553981.db2.gz SWDMQUVEJFJDMA-CQSZACIVSA-N -1 3 356.444 2.839 20 5 FFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000267663543 509587631 /nfs/dbraw/zinc/58/76/31/509587631.db2.gz XODNUIXBKGBMRR-SNVBAGLBSA-N -1 3 371.440 2.546 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000186273949 509616309 /nfs/dbraw/zinc/61/63/09/509616309.db2.gz VQNKHRLHLKMAPI-UHFFFAOYSA-N -1 3 372.349 2.669 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000179991491 509701244 /nfs/dbraw/zinc/70/12/44/509701244.db2.gz VWJFYRPCKZNBRQ-ZDUSSCGKSA-N -1 3 366.370 2.926 20 5 FFBDHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173713194 509735626 /nfs/dbraw/zinc/73/56/26/509735626.db2.gz WGBIXTDXLAYFGL-ZDUSSCGKSA-N -1 3 350.396 2.649 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000170735352 509744620 /nfs/dbraw/zinc/74/46/20/509744620.db2.gz HFZQRBFTBNLWPJ-OAHLLOKOSA-N -1 3 350.396 2.569 20 5 FFBDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000170788567 509778122 /nfs/dbraw/zinc/77/81/22/509778122.db2.gz CZPRJLZDRCOKHT-AWEZNQCLSA-N -1 3 364.423 2.903 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000173983971 509889794 /nfs/dbraw/zinc/88/97/94/509889794.db2.gz OKRSJWGIZQEZIT-UHFFFAOYSA-N -1 3 363.395 2.835 20 5 FFBDHM CCc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000174061789 509929474 /nfs/dbraw/zinc/92/94/74/509929474.db2.gz XWMMVKDFFLJZOO-UHFFFAOYSA-N -1 3 363.395 2.781 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)c1[N+](=O)[O-] ZINC000190085894 509930578 /nfs/dbraw/zinc/93/05/78/509930578.db2.gz DNCSDZMWSPBJOH-OAHLLOKOSA-N -1 3 358.460 2.533 20 5 FFBDHM O=C(Nc1ccccc1NCC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187001811 509999275 /nfs/dbraw/zinc/99/92/75/509999275.db2.gz QNIYQGDGPMQLKH-UHFFFAOYSA-N -1 3 356.260 2.922 20 5 FFBDHM O=C(Nc1ccc(F)c(Br)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193651164 510005901 /nfs/dbraw/zinc/00/59/01/510005901.db2.gz AVDIIYWCCRIRME-UHFFFAOYSA-N -1 3 356.107 2.849 20 5 FFBDHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000174244723 510022316 /nfs/dbraw/zinc/02/23/16/510022316.db2.gz PXLMEORVQATZKK-ZDUSSCGKSA-N -1 3 374.397 2.762 20 5 FFBDHM CCOC(=O)c1c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000190563803 510209614 /nfs/dbraw/zinc/20/96/14/510209614.db2.gz ZFYDDJAAWQWTHH-UHFFFAOYSA-N -1 3 364.383 2.687 20 5 FFBDHM CCOC(=O)c1nc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])oc1C ZINC000187449079 510272586 /nfs/dbraw/zinc/27/25/86/510272586.db2.gz IPLKVKFVLMOEEL-UHFFFAOYSA-N -1 3 353.718 2.974 20 5 FFBDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000188392758 510745454 /nfs/dbraw/zinc/74/54/54/510745454.db2.gz FFVMTXOVKYNRSO-LLVKDONJSA-N -1 3 350.824 2.588 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2Br)n1 ZINC000191667415 510778405 /nfs/dbraw/zinc/77/84/05/510778405.db2.gz QCFNAXYQOWKOQN-UHFFFAOYSA-N -1 3 357.139 2.965 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncccc2OCC2CCCCC2)n1 ZINC000271083329 511077725 /nfs/dbraw/zinc/07/77/25/511077725.db2.gz GNVSUCFTDZBCAC-UHFFFAOYSA-N -1 3 359.386 2.935 20 5 FFBDHM C[C@@H](CON=C([O-])Nc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000271126329 511090139 /nfs/dbraw/zinc/09/01/39/511090139.db2.gz PEZAQPOOHIYYIB-JTQLQIEISA-N -1 3 354.363 2.561 20 5 FFBDHM C[C@@H](CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000271126329 511090143 /nfs/dbraw/zinc/09/01/43/511090143.db2.gz PEZAQPOOHIYYIB-JTQLQIEISA-N -1 3 354.363 2.561 20 5 FFBDHM COc1cc(C(=O)[N-]OC(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000295456074 511412281 /nfs/dbraw/zinc/41/22/81/511412281.db2.gz BNMBKSUNRUVYHI-UHFFFAOYSA-N -1 3 367.383 2.709 20 5 FFBDHM Cc1cc(C)cc(-c2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)n[nH]2)c1 ZINC000303602871 511743100 /nfs/dbraw/zinc/74/31/00/511743100.db2.gz AKNUQSVCVHSGOH-UHFFFAOYSA-N -1 3 353.338 2.955 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C)CCCC[C@H]1C ZINC000308413393 511767670 /nfs/dbraw/zinc/76/76/70/511767670.db2.gz FWDJBGXBOWPGJI-BDJLRTHQSA-N -1 3 370.427 2.629 20 5 FFBDHM O=C(Nc1ccc(OCC2CCOCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275089208 512038344 /nfs/dbraw/zinc/03/83/44/512038344.db2.gz GJUPMJCPSCEXLI-UHFFFAOYSA-N -1 3 373.365 2.753 20 5 FFBDHM O=C([O-])c1ccnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000388650026 512897067 /nfs/dbraw/zinc/89/70/67/512897067.db2.gz ZEARYVRCBIWGSX-AWEZNQCLSA-N -1 3 356.382 2.622 20 5 FFBDHM CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CCCCC1 ZINC000389475272 512900896 /nfs/dbraw/zinc/90/08/96/512900896.db2.gz NPHCQEAUPQSZTQ-UHFFFAOYSA-N -1 3 370.427 2.773 20 5 FFBDHM C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CN1Cc1ccccc1 ZINC000398025900 512952331 /nfs/dbraw/zinc/95/23/31/512952331.db2.gz AJGGCMRIDIQFQY-DZGCQCFKSA-N -1 3 355.394 2.693 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2nc3c(s2)CCC3)c(C)c([N+](=O)[O-])c1 ZINC000415516363 513305994 /nfs/dbraw/zinc/30/59/94/513305994.db2.gz FMIPOSLLIQOJCP-UHFFFAOYSA-N -1 3 361.379 2.887 20 5 FFBDHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000446924178 513361732 /nfs/dbraw/zinc/36/17/32/513361732.db2.gz DFDYMCZJRINOSD-CQSZACIVSA-N -1 3 374.459 2.723 20 5 FFBDHM CCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446941595 513364264 /nfs/dbraw/zinc/36/42/64/513364264.db2.gz LWTMWDHPMVNVTF-UHFFFAOYSA-N -1 3 351.222 2.824 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000442321585 513702019 /nfs/dbraw/zinc/70/20/19/513702019.db2.gz YONSNKPCAXJBGC-UHFFFAOYSA-N -1 3 356.331 2.552 20 5 FFBDHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000442763643 513773729 /nfs/dbraw/zinc/77/37/29/513773729.db2.gz DQWYFOCNZNVAHA-SECBINFHSA-N -1 3 362.329 2.890 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](F)C1 ZINC000416480918 513794385 /nfs/dbraw/zinc/79/43/85/513794385.db2.gz BAQRUBYGYCFVDI-RKDXNWHRSA-N -1 3 356.297 2.783 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCc2cccnc2)c([N+](=O)[O-])c1 ZINC000416529570 513818501 /nfs/dbraw/zinc/81/85/01/513818501.db2.gz CKJHPJGGTONDDC-CQSZACIVSA-N -1 3 363.439 2.988 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000416535915 513820825 /nfs/dbraw/zinc/82/08/25/513820825.db2.gz KMZXCYQOUUNVPC-VIFPVBQESA-N -1 3 353.425 2.580 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c1C ZINC000416653647 513890531 /nfs/dbraw/zinc/89/05/31/513890531.db2.gz TZMROKQIRVUGPV-HNNXBMFYSA-N -1 3 362.407 2.761 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436643419 513927963 /nfs/dbraw/zinc/92/79/63/513927963.db2.gz XKOHEHATINMSLW-GUYCJALGSA-N -1 3 355.394 2.551 20 5 FFBDHM CCc1ccc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c([O-])c1 ZINC000436812347 513991353 /nfs/dbraw/zinc/99/13/53/513991353.db2.gz MISRTVDGYCKKRW-UHFFFAOYSA-N -1 3 374.393 2.853 20 5 FFBDHM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1[O-] ZINC000436826590 513996654 /nfs/dbraw/zinc/99/66/54/513996654.db2.gz KXPKBHJHLTYMEO-UHFFFAOYSA-N -1 3 367.317 2.888 20 5 FFBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451823111 514004127 /nfs/dbraw/zinc/00/41/27/514004127.db2.gz JTOGVZJMYLQSSV-BDAKNGLRSA-N -1 3 363.233 2.682 20 5 FFBDHM CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436985454 514063407 /nfs/dbraw/zinc/06/34/07/514063407.db2.gz HDJHNGPLNWCKSJ-UHFFFAOYSA-N -1 3 373.413 2.542 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1cc(C)ccc1F ZINC000451933907 514080889 /nfs/dbraw/zinc/08/08/89/514080889.db2.gz VAZIMEDDLZSTFG-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451935702 514081583 /nfs/dbraw/zinc/08/15/83/514081583.db2.gz RQJZSIVFECKELN-SECBINFHSA-N -1 3 358.807 2.504 20 5 FFBDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000452007342 514130830 /nfs/dbraw/zinc/13/08/30/514130830.db2.gz QHWWLMUXPTWJJR-SECBINFHSA-N -1 3 358.807 2.504 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC2(CCOCC2)CC1 ZINC000437315522 514138470 /nfs/dbraw/zinc/13/84/70/514138470.db2.gz LZZYVVYIRUROAL-UHFFFAOYSA-N -1 3 368.455 2.921 20 5 FFBDHM C[C@@]1(c2ccc(CNc3c(Cl)cccc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000432341465 514166482 /nfs/dbraw/zinc/16/64/82/514166482.db2.gz ABIDXRLCKIEDTP-KRWDZBQOSA-N -1 3 374.784 2.915 20 5 FFBDHM COC(=O)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])Cc1ccc([O-])c(F)c1 ZINC000420630628 514208104 /nfs/dbraw/zinc/20/81/04/514208104.db2.gz FCPJYCWBNNTGAY-GFCCVEGCSA-N -1 3 363.345 2.587 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(O)CCCC(C)(C)C1 ZINC000445752881 514514765 /nfs/dbraw/zinc/51/47/65/514514765.db2.gz RMVLYOIAPXFSHS-INIZCTEOSA-N -1 3 356.444 2.513 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000470620276 514550816 /nfs/dbraw/zinc/55/08/16/514550816.db2.gz OXYNEUDJOUWQNT-AWEZNQCLSA-N -1 3 372.443 2.548 20 5 FFBDHM Cc1cc(F)c(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)cc1F ZINC000475728411 514780943 /nfs/dbraw/zinc/78/09/43/514780943.db2.gz AQAUTDGNIQMNOD-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000481014570 515172736 /nfs/dbraw/zinc/17/27/36/515172736.db2.gz OZHAWALKGAZWMX-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCn2cnc3ccccc32)c1[N+](=O)[O-] ZINC000481055690 515190100 /nfs/dbraw/zinc/19/01/00/515190100.db2.gz SGPKFPBQABREDO-UHFFFAOYSA-N -1 3 374.422 2.540 20 5 FFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c1 ZINC000462730848 515216986 /nfs/dbraw/zinc/21/69/86/515216986.db2.gz VCNDKLMLJVWYEV-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OC ZINC000490552805 515247510 /nfs/dbraw/zinc/24/75/10/515247510.db2.gz XACJIKJSZOAVLG-UHFFFAOYSA-N -1 3 350.824 2.732 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000481349952 515300026 /nfs/dbraw/zinc/30/00/26/515300026.db2.gz PIWBVWBTDIWJSI-WCQYABFASA-N -1 3 360.457 2.556 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000509794682 515328323 /nfs/dbraw/zinc/32/83/23/515328323.db2.gz MIQDHXCARCVMPY-ZIAGYGMSSA-N -1 3 350.371 2.877 20 5 FFBDHM CN(C)c1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000477128448 515340742 /nfs/dbraw/zinc/34/07/42/515340742.db2.gz QXGPVTRCNCANLO-UHFFFAOYSA-N -1 3 369.830 2.793 20 5 FFBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491189293 515392162 /nfs/dbraw/zinc/39/21/62/515392162.db2.gz VABKXANPVHESCP-GXFFZTMASA-N -1 3 360.407 2.990 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000491549707 515451944 /nfs/dbraw/zinc/45/19/44/515451944.db2.gz WEIBUWUZZYNUTH-QJPTWQEYSA-N -1 3 372.418 2.990 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000491549704 515452225 /nfs/dbraw/zinc/45/22/25/515452225.db2.gz WEIBUWUZZYNUTH-GRYCIOLGSA-N -1 3 372.418 2.990 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000491599511 515458877 /nfs/dbraw/zinc/45/88/77/515458877.db2.gz RPSJASROZIVWBE-MRVPVSSYSA-N -1 3 368.333 2.599 20 5 FFBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000486636775 515571794 /nfs/dbraw/zinc/57/17/94/515571794.db2.gz GLGCGYYKHHWCEA-MWLCHTKSSA-N -1 3 367.431 2.574 20 5 FFBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2N)s1 ZINC000473411030 515609704 /nfs/dbraw/zinc/60/97/04/515609704.db2.gz LTLFQYPLSPCJOA-UHFFFAOYSA-N -1 3 374.357 2.790 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000510625914 515613043 /nfs/dbraw/zinc/61/30/43/515613043.db2.gz AXKXTJUJORKBKS-CYBMUJFWSA-N -1 3 364.851 2.978 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N[C@H](C1CC1)C(F)(F)F ZINC000459574229 515662050 /nfs/dbraw/zinc/66/20/50/515662050.db2.gz RYVGBEFOLRUIJO-CYBMUJFWSA-N -1 3 369.303 2.869 20 5 FFBDHM COc1cc([O-])cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC000510888107 515702627 /nfs/dbraw/zinc/70/26/27/515702627.db2.gz AUKMXQNDEFROCL-UHFFFAOYSA-N -1 3 354.322 2.747 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000473854535 515778379 /nfs/dbraw/zinc/77/83/79/515778379.db2.gz ZABWDFCTBGJGRD-LBPRGKRZSA-N -1 3 370.287 2.862 20 5 FFBDHM COc1cc(C(=O)[N-]c2nc(CN(C)C)cs2)c([N+](=O)[O-])cc1F ZINC000457319956 515805238 /nfs/dbraw/zinc/80/52/38/515805238.db2.gz YWBLYJRBMSXTQF-UHFFFAOYSA-N -1 3 354.363 2.513 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)cc1C ZINC000506199896 515813899 /nfs/dbraw/zinc/81/38/99/515813899.db2.gz SVSHCYFQIKMYSH-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM Cn1cnc(C(=O)[N-]c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])n1 ZINC000464438238 515826529 /nfs/dbraw/zinc/82/65/29/515826529.db2.gz QGXYBHVMAGECBU-UHFFFAOYSA-N -1 3 353.338 2.555 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(OC(F)F)c3cccnc23)n1 ZINC000479233356 516119938 /nfs/dbraw/zinc/11/99/38/516119938.db2.gz CRAQWSFVGKVKGH-UHFFFAOYSA-N -1 3 363.280 2.730 20 5 FFBDHM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000465470973 516162537 /nfs/dbraw/zinc/16/25/37/516162537.db2.gz IQAZZNBCESYORB-UHFFFAOYSA-N -1 3 368.386 2.920 20 5 FFBDHM CCOc1nc(C)ccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000484040801 516285335 /nfs/dbraw/zinc/28/53/35/516285335.db2.gz MMLQYLRBCOUFFP-UHFFFAOYSA-N -1 3 367.365 2.761 20 5 FFBDHM C[C@@H](Oc1ccccc1F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523163450 516400484 /nfs/dbraw/zinc/40/04/84/516400484.db2.gz MRBHFDQWBJOANL-LLVKDONJSA-N -1 3 370.340 2.952 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc2oc(=O)[nH]c21 ZINC000561206535 516451464 /nfs/dbraw/zinc/45/14/64/516451464.db2.gz MPDBVCKHSHFLCX-UHFFFAOYSA-N -1 3 365.305 2.506 20 5 FFBDHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628945 516562371 /nfs/dbraw/zinc/56/23/71/516562371.db2.gz ADVVLRVETGIQIC-UHFFFAOYSA-N -1 3 351.265 2.697 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000544100038 516581527 /nfs/dbraw/zinc/58/15/27/516581527.db2.gz PFHSAHYOMOVQOM-CYBMUJFWSA-N -1 3 362.473 2.659 20 5 FFBDHM Cc1c(Br)c(NCc2ccc([O-])c(F)c2)ncc1[N+](=O)[O-] ZINC000544397420 516741876 /nfs/dbraw/zinc/74/18/76/516741876.db2.gz AAILCYIXKCNKCI-UHFFFAOYSA-N -1 3 356.151 2.939 20 5 FFBDHM COC(=O)c1cc(C(=O)Nc2c([O-])cccc2Cl)cc([N+](=O)[O-])c1 ZINC000558472442 516763369 /nfs/dbraw/zinc/76/33/69/516763369.db2.gz CULDJNGIYBLDJV-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000524835825 516842546 /nfs/dbraw/zinc/84/25/46/516842546.db2.gz KWMIHXKKGWWGQD-UHFFFAOYSA-N -1 3 364.383 2.534 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000524835825 516842552 /nfs/dbraw/zinc/84/25/52/516842552.db2.gz KWMIHXKKGWWGQD-UHFFFAOYSA-N -1 3 364.383 2.534 20 5 FFBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1C ZINC000525461550 517048179 /nfs/dbraw/zinc/04/81/79/517048179.db2.gz YQATWUASPHRZLU-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000537183806 517072480 /nfs/dbraw/zinc/07/24/80/517072480.db2.gz QFHXRBMRRSIMFY-BZHVJNSISA-N -1 3 362.835 2.586 20 5 FFBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])cnc3N)s2)c(C)c1 ZINC000545394384 517217535 /nfs/dbraw/zinc/21/75/35/517217535.db2.gz HENAGZKZPUGQET-UHFFFAOYSA-N -1 3 370.394 2.960 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000541814749 517228697 /nfs/dbraw/zinc/22/86/97/517228697.db2.gz AQKJHFZBTWJNED-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM O=C(c1cccc2[n-]nnc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000526115301 517351781 /nfs/dbraw/zinc/35/17/81/517351781.db2.gz FCDOBIBSBVFWDA-MRXNPFEDSA-N -1 3 355.379 2.754 20 5 FFBDHM O=C(c1cccc2nn[n-]c21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000526115301 517351797 /nfs/dbraw/zinc/35/17/97/517351797.db2.gz FCDOBIBSBVFWDA-MRXNPFEDSA-N -1 3 355.379 2.754 20 5 FFBDHM O=C(c1cccc2n[n-]nc21)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000526115301 517351804 /nfs/dbraw/zinc/35/18/04/517351804.db2.gz FCDOBIBSBVFWDA-MRXNPFEDSA-N -1 3 355.379 2.754 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000552824832 517406173 /nfs/dbraw/zinc/40/61/73/517406173.db2.gz QNIXTANJUYSFSF-ZDUSSCGKSA-N -1 3 370.814 2.569 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H](CO)c2ccccc2C)c1C ZINC000533553703 517521293 /nfs/dbraw/zinc/52/12/93/517521293.db2.gz WFTHGLCJZIMYMW-MRXNPFEDSA-N -1 3 364.423 2.532 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000549523192 517600138 /nfs/dbraw/zinc/60/01/38/517600138.db2.gz RXLWQMGYFWLNBS-HNNXBMFYSA-N -1 3 370.471 2.679 20 5 FFBDHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000553553513 517778135 /nfs/dbraw/zinc/77/81/35/517778135.db2.gz CWKOGMXKWYPNBP-NSHDSACASA-N -1 3 363.233 2.824 20 5 FFBDHM C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)C1 ZINC000576350182 518550655 /nfs/dbraw/zinc/55/06/55/518550655.db2.gz WDCLXIPLNFKIDP-WDMOLILDSA-N -1 3 367.833 2.756 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC000570572712 518674716 /nfs/dbraw/zinc/67/47/16/518674716.db2.gz DQRNFIATSXJABR-CYBMUJFWSA-N -1 3 358.398 2.929 20 5 FFBDHM COc1cc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)cc([N+](=O)[O-])c1C ZINC000574892335 519387203 /nfs/dbraw/zinc/38/72/03/519387203.db2.gz VIUHWPXOJXUADN-UHFFFAOYSA-N -1 3 367.365 2.804 20 5 FFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594753007 520133566 /nfs/dbraw/zinc/13/35/66/520133566.db2.gz GTRBXTJHCIFITE-GFCCVEGCSA-N -1 3 367.427 2.627 20 5 FFBDHM CC(C)CSCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594765371 520143706 /nfs/dbraw/zinc/14/37/06/520143706.db2.gz LLUMOMNHXRRDSL-UHFFFAOYSA-N -1 3 369.468 2.811 20 5 FFBDHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594776602 520151301 /nfs/dbraw/zinc/15/13/01/520151301.db2.gz GQWKKELVRIOSBF-UHFFFAOYSA-N -1 3 359.354 2.857 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000594834217 520179497 /nfs/dbraw/zinc/17/94/97/520179497.db2.gz SBRDTGGZTHFNFH-TVQRCGJNSA-N -1 3 352.437 2.971 20 5 FFBDHM COCc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc21 ZINC000609203091 520230480 /nfs/dbraw/zinc/23/04/80/520230480.db2.gz ANCXLEDJGVZISD-UHFFFAOYSA-N -1 3 360.351 2.704 20 5 FFBDHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000595279979 520383883 /nfs/dbraw/zinc/38/38/83/520383883.db2.gz PFBJVMMOZYGSOM-GOSISDBHSA-N -1 3 374.393 2.912 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000595391981 520444112 /nfs/dbraw/zinc/44/41/12/520444112.db2.gz DFQLXPHUODHKHS-UHFFFAOYSA-N -1 3 356.425 2.760 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000609824561 520446559 /nfs/dbraw/zinc/44/65/59/520446559.db2.gz FPGPMDPYIXKKBM-UHFFFAOYSA-N -1 3 352.387 2.990 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)O)cc1C ZINC000595407962 520449728 /nfs/dbraw/zinc/44/97/28/520449728.db2.gz NRNVBIRZZFXXRJ-SUMWQHHRSA-N -1 3 364.423 2.612 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c2ncccc12 ZINC000613349221 520459180 /nfs/dbraw/zinc/45/91/80/520459180.db2.gz OCTPFALPQCEIFV-SECBINFHSA-N -1 3 357.338 2.609 20 5 FFBDHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610086957 520535046 /nfs/dbraw/zinc/53/50/46/520535046.db2.gz HMVONAAYQDWLPY-SECBINFHSA-N -1 3 365.249 2.928 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1C ZINC000610266112 520612683 /nfs/dbraw/zinc/61/26/83/520612683.db2.gz UVDUDBLUKAKMMO-WQVCFCJDSA-N -1 3 368.455 2.694 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1C ZINC000610266111 520612935 /nfs/dbraw/zinc/61/29/35/520612935.db2.gz UVDUDBLUKAKMMO-MAZHCROVSA-N -1 3 368.455 2.694 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000610518512 520726028 /nfs/dbraw/zinc/72/60/28/520726028.db2.gz XBEABFBCTDUDOY-JTQLQIEISA-N -1 3 355.803 2.725 20 5 FFBDHM O=c1[n-]ccc(N2CCN(Cc3c(F)cccc3Cl)CC2)c1[N+](=O)[O-] ZINC000596057779 520885517 /nfs/dbraw/zinc/88/55/17/520885517.db2.gz VOOZRBYLWQYIBT-UHFFFAOYSA-N -1 3 366.780 2.810 20 5 FFBDHM Cc1cc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c([N+](=O)[O-])s1 ZINC000596110196 520917419 /nfs/dbraw/zinc/91/74/19/520917419.db2.gz NAZDVAOXGZACEN-INIZCTEOSA-N -1 3 360.395 2.631 20 5 FFBDHM Cc1ccc(CNC(=O)C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596151748 520939828 /nfs/dbraw/zinc/93/98/28/520939828.db2.gz KEOQUMRXRQYWBK-UHFFFAOYSA-N -1 3 370.409 2.537 20 5 FFBDHM COc1cccc([C@H](CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])OC)c1 ZINC000598989115 520963036 /nfs/dbraw/zinc/96/30/36/520963036.db2.gz ZCDPOAJSPHEZIC-SFHVURJKSA-N -1 3 362.382 2.795 20 5 FFBDHM Cc1cccc(CN2CC[C@H](NC(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000601852167 520988978 /nfs/dbraw/zinc/98/89/78/520988978.db2.gz XUPUTHNMLDPKOV-HNNXBMFYSA-N -1 3 355.394 2.613 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)nc1 ZINC000593590092 521093746 /nfs/dbraw/zinc/09/37/46/521093746.db2.gz XXZMJAXAQNNMIU-JSGCOSHPSA-N -1 3 365.386 2.744 20 5 FFBDHM CSc1ccncc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000611466356 521171653 /nfs/dbraw/zinc/17/16/53/521171653.db2.gz BLHMCNVODSXICF-UHFFFAOYSA-N -1 3 353.425 2.696 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000599391090 521194089 /nfs/dbraw/zinc/19/40/89/521194089.db2.gz LNURPOLIIOKTJZ-UHFFFAOYSA-N -1 3 350.318 2.858 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000599445264 521232533 /nfs/dbraw/zinc/23/25/33/521232533.db2.gz NGYINKLDDIQBPO-NSHDSACASA-N -1 3 358.391 2.767 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[n-]1 ZINC000619447881 521571571 /nfs/dbraw/zinc/57/15/71/521571571.db2.gz SGVDRNCNVXIADY-UHFFFAOYSA-N -1 3 360.351 2.962 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c[n-]1 ZINC000619447881 521571578 /nfs/dbraw/zinc/57/15/78/521571578.db2.gz SGVDRNCNVXIADY-UHFFFAOYSA-N -1 3 360.351 2.962 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000619467689 521583557 /nfs/dbraw/zinc/58/35/57/521583557.db2.gz WNFAXFXGTOZJKV-UHFFFAOYSA-N -1 3 362.285 2.822 20 5 FFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619496713 521598528 /nfs/dbraw/zinc/59/85/28/521598528.db2.gz FOFDRCLGHYFOOX-QMMMGPOBSA-N -1 3 356.322 2.613 20 5 FFBDHM Cc1cccc(O[C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000822328929 599057125 /nfs/dbraw/zinc/05/71/25/599057125.db2.gz VSPKQEQHPMMMAP-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1cccc(O[C@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000822328929 599057128 /nfs/dbraw/zinc/05/71/28/599057128.db2.gz VSPKQEQHPMMMAP-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nnn[n-]3)cc2F)nc2ccccn21 ZINC000823629574 599058831 /nfs/dbraw/zinc/05/88/31/599058831.db2.gz AJINFCBZOJHEKM-UHFFFAOYSA-N -1 3 357.330 2.713 20 5 FFBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nn[n-]n3)cc2F)nc2ccccn21 ZINC000823629574 599058833 /nfs/dbraw/zinc/05/88/33/599058833.db2.gz AJINFCBZOJHEKM-UHFFFAOYSA-N -1 3 357.330 2.713 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370079 599059191 /nfs/dbraw/zinc/05/91/91/599059191.db2.gz NGPQHSYIDPERPO-CYBMUJFWSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370079 599059193 /nfs/dbraw/zinc/05/91/93/599059193.db2.gz NGPQHSYIDPERPO-CYBMUJFWSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1OCCc2sccc21 ZINC000823630278 599076912 /nfs/dbraw/zinc/07/69/12/599076912.db2.gz VKXZOVSPHBSLBM-CYBMUJFWSA-N -1 3 358.383 2.562 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1OCCc2sccc21 ZINC000823630278 599076915 /nfs/dbraw/zinc/07/69/15/599076915.db2.gz VKXZOVSPHBSLBM-CYBMUJFWSA-N -1 3 358.383 2.562 20 5 FFBDHM C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820286560 599080644 /nfs/dbraw/zinc/08/06/44/599080644.db2.gz CIJLKMPNBAXMJL-LBPRGKRZSA-N -1 3 354.370 2.792 20 5 FFBDHM C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820286560 599080647 /nfs/dbraw/zinc/08/06/47/599080647.db2.gz CIJLKMPNBAXMJL-LBPRGKRZSA-N -1 3 354.370 2.792 20 5 FFBDHM CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC000819818882 599083857 /nfs/dbraw/zinc/08/38/57/599083857.db2.gz WYPNONCGAZLCRH-UHFFFAOYSA-N -1 3 358.289 2.665 20 5 FFBDHM CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC000819818882 599083860 /nfs/dbraw/zinc/08/38/60/599083860.db2.gz WYPNONCGAZLCRH-UHFFFAOYSA-N -1 3 358.289 2.665 20 5 FFBDHM O=c1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000738378944 599120864 /nfs/dbraw/zinc/12/08/64/599120864.db2.gz BZKCXJXEWVYKMU-UHFFFAOYSA-N -1 3 363.337 2.641 20 5 FFBDHM O=c1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc2[nH]1 ZINC000738378944 599120867 /nfs/dbraw/zinc/12/08/67/599120867.db2.gz BZKCXJXEWVYKMU-UHFFFAOYSA-N -1 3 363.337 2.641 20 5 FFBDHM C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379950 599235045 /nfs/dbraw/zinc/23/50/45/599235045.db2.gz IWLHKBGQTZMPFH-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379950 599235049 /nfs/dbraw/zinc/23/50/49/599235049.db2.gz IWLHKBGQTZMPFH-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccn(C3CCCC3)n2)c(-c2nnn[n-]2)c1 ZINC000823639760 607307700 /nfs/dbraw/zinc/30/77/00/607307700.db2.gz HDDNDAPLISYBBN-UHFFFAOYSA-N -1 3 354.374 2.699 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccn(C3CCCC3)n2)c(-c2nn[n-]n2)c1 ZINC000823639760 607307701 /nfs/dbraw/zinc/30/77/01/607307701.db2.gz HDDNDAPLISYBBN-UHFFFAOYSA-N -1 3 354.374 2.699 20 5 FFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000736486995 599276064 /nfs/dbraw/zinc/27/60/64/599276064.db2.gz ANBZLDAWTDSZBQ-UHFFFAOYSA-N -1 3 373.398 2.911 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCc2ccccc2N1 ZINC000738358107 598244397 /nfs/dbraw/zinc/24/43/97/598244397.db2.gz KZKNLSNCZRSSET-ZDUSSCGKSA-N -1 3 351.370 2.614 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCc2ccccc2N1 ZINC000738358107 598244398 /nfs/dbraw/zinc/24/43/98/598244398.db2.gz KZKNLSNCZRSSET-ZDUSSCGKSA-N -1 3 351.370 2.614 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114293 598332501 /nfs/dbraw/zinc/33/25/01/598332501.db2.gz AJJJZNFIWOACOZ-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114293 598332503 /nfs/dbraw/zinc/33/25/03/598332503.db2.gz AJJJZNFIWOACOZ-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2cccc(N3CCCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738373829 598499725 /nfs/dbraw/zinc/49/97/25/598499725.db2.gz HRBZYDPVZPXGES-UHFFFAOYSA-N -1 3 366.385 2.904 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2cccc(N3CCCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738373829 598499727 /nfs/dbraw/zinc/49/97/27/598499727.db2.gz HRBZYDPVZPXGES-UHFFFAOYSA-N -1 3 366.385 2.904 20 5 FFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736299238 598602057 /nfs/dbraw/zinc/60/20/57/598602057.db2.gz SXEHJZKGOOOFNS-LBPRGKRZSA-N -1 3 366.381 2.605 20 5 FFBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nnn[n-]3)cc2Cl)nc2ccccn21 ZINC000823629964 599317391 /nfs/dbraw/zinc/31/73/91/599317391.db2.gz OITIIHMNGGCBFN-UHFFFAOYSA-N -1 3 357.717 2.868 20 5 FFBDHM O=[N+]([O-])c1c(Oc2ccc(-c3nn[n-]n3)cc2Cl)nc2ccccn21 ZINC000823629964 599317393 /nfs/dbraw/zinc/31/73/93/599317393.db2.gz OITIIHMNGGCBFN-UHFFFAOYSA-N -1 3 357.717 2.868 20 5 FFBDHM CN(CCOc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821605168 599373748 /nfs/dbraw/zinc/37/37/48/599373748.db2.gz XZOXRDBRWLDRSW-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM CN(CCOc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821605168 599373751 /nfs/dbraw/zinc/37/37/51/599373751.db2.gz XZOXRDBRWLDRSW-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM O=[N+]([O-])c1cnc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(Cl)c1 ZINC000738370750 599421125 /nfs/dbraw/zinc/42/11/25/599421125.db2.gz YJJAADCEWWWVOA-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM O=[N+]([O-])c1cnc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(Cl)c1 ZINC000738370750 599421127 /nfs/dbraw/zinc/42/11/27/599421127.db2.gz YJJAADCEWWWVOA-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM Cc1ccc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822236266 599474707 /nfs/dbraw/zinc/47/47/07/599474707.db2.gz RMCHGWHPQWPNRO-UHFFFAOYSA-N -1 3 365.353 2.879 20 5 FFBDHM Cc1ccc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)o1 ZINC000822236266 599474709 /nfs/dbraw/zinc/47/47/09/599474709.db2.gz RMCHGWHPQWPNRO-UHFFFAOYSA-N -1 3 365.353 2.879 20 5 FFBDHM COc1ccccc1[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737147111 599536991 /nfs/dbraw/zinc/53/69/91/599536991.db2.gz KESBRTVEXDYTHN-GFCCVEGCSA-N -1 3 366.381 2.777 20 5 FFBDHM COc1ccccc1[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737147111 599536993 /nfs/dbraw/zinc/53/69/93/599536993.db2.gz KESBRTVEXDYTHN-GFCCVEGCSA-N -1 3 366.381 2.777 20 5 FFBDHM CCC(CC)[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820892594 599549234 /nfs/dbraw/zinc/54/92/34/599549234.db2.gz CGTZDHDGQUNMIN-HNNXBMFYSA-N -1 3 371.401 2.532 20 5 FFBDHM CCC(CC)[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820892594 599549236 /nfs/dbraw/zinc/54/92/36/599549236.db2.gz CGTZDHDGQUNMIN-HNNXBMFYSA-N -1 3 371.401 2.532 20 5 FFBDHM C[C@H]1SCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1C ZINC000820818962 599564077 /nfs/dbraw/zinc/56/40/77/599564077.db2.gz CZOHHCDSTSXEMW-NXEZZACHSA-N -1 3 371.426 2.653 20 5 FFBDHM C[C@H]1SCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1C ZINC000820818962 599564078 /nfs/dbraw/zinc/56/40/78/599564078.db2.gz CZOHHCDSTSXEMW-NXEZZACHSA-N -1 3 371.426 2.653 20 5 FFBDHM CSc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000826230358 607435678 /nfs/dbraw/zinc/43/56/78/607435678.db2.gz PCHBWODYMAFCLW-UHFFFAOYSA-N -1 3 370.394 2.773 20 5 FFBDHM CSc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000826230358 607435680 /nfs/dbraw/zinc/43/56/80/607435680.db2.gz PCHBWODYMAFCLW-UHFFFAOYSA-N -1 3 370.394 2.773 20 5 FFBDHM O=[N+]([O-])c1ccc(SCCCOc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823643805 607466761 /nfs/dbraw/zinc/46/67/61/607466761.db2.gz BPIQHFKOPYRZIC-UHFFFAOYSA-N -1 3 358.383 2.731 20 5 FFBDHM O=[N+]([O-])c1ccc(SCCCOc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823643805 607466762 /nfs/dbraw/zinc/46/67/62/607466762.db2.gz BPIQHFKOPYRZIC-UHFFFAOYSA-N -1 3 358.383 2.731 20 5 FFBDHM Cc1c(CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826235053 607660393 /nfs/dbraw/zinc/66/03/93/607660393.db2.gz AOEVRVKWWGUXQY-LBPRGKRZSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1c(CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826235053 607660395 /nfs/dbraw/zinc/66/03/95/607660395.db2.gz AOEVRVKWWGUXQY-LBPRGKRZSA-N -1 3 366.381 2.503 20 5 FFBDHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000833770216 604762413 /nfs/dbraw/zinc/76/24/13/604762413.db2.gz AOICGATWWVHOHH-KRWDZBQOSA-N -1 3 360.366 2.512 20 5 FFBDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820557280 606327206 /nfs/dbraw/zinc/32/72/06/606327206.db2.gz XUHFXQBHUZOXCN-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000820557280 606327208 /nfs/dbraw/zinc/32/72/08/606327208.db2.gz XUHFXQBHUZOXCN-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820804443 606474873 /nfs/dbraw/zinc/47/48/73/606474873.db2.gz SJHDXLTXMUNYNC-YVEFUNNKSA-N -1 3 366.381 2.741 20 5 FFBDHM C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820804443 606474875 /nfs/dbraw/zinc/47/48/75/606474875.db2.gz SJHDXLTXMUNYNC-YVEFUNNKSA-N -1 3 366.381 2.741 20 5 FFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823356090 606506480 /nfs/dbraw/zinc/50/64/80/606506480.db2.gz KDTNATJVBANBBC-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823356090 606506482 /nfs/dbraw/zinc/50/64/82/606506482.db2.gz KDTNATJVBANBBC-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC000822229533 606542937 /nfs/dbraw/zinc/54/29/37/606542937.db2.gz WOQCJZQZXJNIBN-SECBINFHSA-N -1 3 358.383 2.636 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000822229533 606542939 /nfs/dbraw/zinc/54/29/39/606542939.db2.gz WOQCJZQZXJNIBN-SECBINFHSA-N -1 3 358.383 2.636 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823651799 606596030 /nfs/dbraw/zinc/59/60/30/606596030.db2.gz RBFSRBAXNDVRFT-BDAKNGLRSA-N -1 3 371.323 2.951 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823651799 606596032 /nfs/dbraw/zinc/59/60/32/606596032.db2.gz RBFSRBAXNDVRFT-BDAKNGLRSA-N -1 3 371.323 2.951 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000823651801 606596108 /nfs/dbraw/zinc/59/61/08/606596108.db2.gz RBFSRBAXNDVRFT-IUCAKERBSA-N -1 3 371.323 2.951 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000823651801 606596110 /nfs/dbraw/zinc/59/61/10/606596110.db2.gz RBFSRBAXNDVRFT-IUCAKERBSA-N -1 3 371.323 2.951 20 5 FFBDHM O=[N+]([O-])c1cc(NCc2ccc3c(c2)OCCCO3)ccc1-c1nnn[n-]1 ZINC000823634097 606646181 /nfs/dbraw/zinc/64/61/81/606646181.db2.gz ARIUTHMEOIBDBH-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000822220305 606943125 /nfs/dbraw/zinc/94/31/25/606943125.db2.gz LIZSTUWSBVSPRW-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000822220305 606943126 /nfs/dbraw/zinc/94/31/26/606943126.db2.gz LIZSTUWSBVSPRW-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1nc(NCCSCc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000822452823 607164884 /nfs/dbraw/zinc/16/48/84/607164884.db2.gz AOSKFLXHRYBNMF-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM Cc1nc(NCCSCc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000822452823 607164886 /nfs/dbraw/zinc/16/48/86/607164886.db2.gz AOSKFLXHRYBNMF-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825371736 607797442 /nfs/dbraw/zinc/79/74/42/607797442.db2.gz JJLSJJDXGCAKSS-UHFFFAOYSA-N -1 3 366.381 2.761 20 5 FFBDHM CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825371736 607797443 /nfs/dbraw/zinc/79/74/43/607797443.db2.gz JJLSJJDXGCAKSS-UHFFFAOYSA-N -1 3 366.381 2.761 20 5 FFBDHM CC1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000824844186 607810018 /nfs/dbraw/zinc/81/00/18/607810018.db2.gz RSHZFLTWXHXYHY-UHFFFAOYSA-N -1 3 365.397 2.728 20 5 FFBDHM CC1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000824844186 607810019 /nfs/dbraw/zinc/81/00/19/607810019.db2.gz RSHZFLTWXHXYHY-UHFFFAOYSA-N -1 3 365.397 2.728 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000824648004 607902725 /nfs/dbraw/zinc/90/27/25/607902725.db2.gz CRVRQUNPXMFMBN-ZHZWEUQESA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000824648004 607902726 /nfs/dbraw/zinc/90/27/26/607902726.db2.gz CRVRQUNPXMFMBN-ZHZWEUQESA-N -1 3 372.410 2.685 20 5 FFBDHM COc1ccc(COc2ccc([N+](=O)[O-])cc2C(C)=O)cc1-c1nnn[n-]1 ZINC000826207450 607973486 /nfs/dbraw/zinc/97/34/86/607973486.db2.gz OJYBDZOADVCLRE-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM COc1ccc(COc2ccc([N+](=O)[O-])cc2C(C)=O)cc1-c1nn[n-]n1 ZINC000826207450 607973487 /nfs/dbraw/zinc/97/34/87/607973487.db2.gz OJYBDZOADVCLRE-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccc(O)cc1)CC1CC1 ZINC000826497492 608017330 /nfs/dbraw/zinc/01/73/30/608017330.db2.gz JCDMMBAOQLNPSU-UHFFFAOYSA-N -1 3 366.381 2.897 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccc(O)cc1)CC1CC1 ZINC000826497492 608017331 /nfs/dbraw/zinc/01/73/31/608017331.db2.gz JCDMMBAOQLNPSU-UHFFFAOYSA-N -1 3 366.381 2.897 20 5 FFBDHM O=C1CCCc2cc(Oc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])ccc2N1 ZINC000826480468 608150948 /nfs/dbraw/zinc/15/09/48/608150948.db2.gz COHLPNABIJKWFF-UHFFFAOYSA-N -1 3 366.337 2.842 20 5 FFBDHM O=C1CCCc2cc(Oc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])ccc2N1 ZINC000826480468 608150949 /nfs/dbraw/zinc/15/09/49/608150949.db2.gz COHLPNABIJKWFF-UHFFFAOYSA-N -1 3 366.337 2.842 20 5 FFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824522097 608157109 /nfs/dbraw/zinc/15/71/09/608157109.db2.gz QAGBFGSNHGZAPE-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824522097 608157110 /nfs/dbraw/zinc/15/71/10/608157110.db2.gz QAGBFGSNHGZAPE-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(C1CC1)C1CC1 ZINC000826450538 608162325 /nfs/dbraw/zinc/16/23/25/608162325.db2.gz QOMGBXKSTQHYPO-UHFFFAOYSA-N -1 3 362.777 2.803 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C(C1CC1)C1CC1 ZINC000826450538 608162327 /nfs/dbraw/zinc/16/23/27/608162327.db2.gz QOMGBXKSTQHYPO-UHFFFAOYSA-N -1 3 362.777 2.803 20 5 FFBDHM C[C@@H]1C[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884518 608195569 /nfs/dbraw/zinc/19/55/69/608195569.db2.gz OCJRNJZWUOZBDN-GHMZBOCLSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H]1C[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884518 608195570 /nfs/dbraw/zinc/19/55/70/608195570.db2.gz OCJRNJZWUOZBDN-GHMZBOCLSA-N -1 3 369.385 2.550 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000826498995 608238558 /nfs/dbraw/zinc/23/85/58/608238558.db2.gz RFXBGPOKFFRMNN-DYVFJYSZSA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000826498995 608238559 /nfs/dbraw/zinc/23/85/59/608238559.db2.gz RFXBGPOKFFRMNN-DYVFJYSZSA-N -1 3 366.381 2.965 20 5 FFBDHM CC[C@H](CSC)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825126085 608416862 /nfs/dbraw/zinc/41/68/62/608416862.db2.gz HFJXIIADTKOYQJ-SECBINFHSA-N -1 3 359.415 2.877 20 5 FFBDHM CC[C@H](CSC)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825126085 608416864 /nfs/dbraw/zinc/41/68/64/608416864.db2.gz HFJXIIADTKOYQJ-SECBINFHSA-N -1 3 359.415 2.877 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826170118 608564349 /nfs/dbraw/zinc/56/43/49/608564349.db2.gz OTVXFCYIMORAIC-LLVKDONJSA-N -1 3 354.370 2.634 20 5 FFBDHM CC[C@@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000825074861 609172921 /nfs/dbraw/zinc/17/29/21/609172921.db2.gz KLRCGUQDHCKFPG-LLVKDONJSA-N -1 3 369.385 2.959 20 5 FFBDHM CC[C@@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000825074861 609172923 /nfs/dbraw/zinc/17/29/23/609172923.db2.gz KLRCGUQDHCKFPG-LLVKDONJSA-N -1 3 369.385 2.959 20 5 FFBDHM Cc1cc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826266903 609284292 /nfs/dbraw/zinc/28/42/92/609284292.db2.gz HETXHMBZFRZEHT-UHFFFAOYSA-N -1 3 367.365 2.759 20 5 FFBDHM Cc1cc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826266903 609284293 /nfs/dbraw/zinc/28/42/93/609284293.db2.gz HETXHMBZFRZEHT-UHFFFAOYSA-N -1 3 367.365 2.759 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1F ZINC000824962159 609319210 /nfs/dbraw/zinc/31/92/10/609319210.db2.gz PKFWLEMKFKNFAH-NOZJJQNGSA-N -1 3 357.349 2.507 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1F ZINC000824962159 609319211 /nfs/dbraw/zinc/31/92/11/609319211.db2.gz PKFWLEMKFKNFAH-NOZJJQNGSA-N -1 3 357.349 2.507 20 5 FFBDHM CCC(CC)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000825107511 609322137 /nfs/dbraw/zinc/32/21/37/609322137.db2.gz POUYFFUBAQRSLL-FZMZJTMJSA-N -1 3 361.406 2.566 20 5 FFBDHM CCC(CC)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000825107511 609322140 /nfs/dbraw/zinc/32/21/40/609322140.db2.gz POUYFFUBAQRSLL-FZMZJTMJSA-N -1 3 361.406 2.566 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000825480643 609439381 /nfs/dbraw/zinc/43/93/81/609439381.db2.gz DYLLJYJGLPLTTK-UHFFFAOYSA-N -1 3 369.385 2.827 20 5 FFBDHM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119471482 728595125 /nfs/dbraw/zinc/59/51/25/728595125.db2.gz ZUQCDNCFRRNXFF-CQSZACIVSA-N -1 3 370.814 2.569 20 5 FFBDHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000134501881 728730602 /nfs/dbraw/zinc/73/06/02/728730602.db2.gz FNWNTSAGQYCGDN-CQSZACIVSA-N -1 3 370.814 2.569 20 5 FFBDHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000742328312 735228242 /nfs/dbraw/zinc/22/82/42/735228242.db2.gz JXNWAZLDLDHGKQ-WCBMZHEXSA-N -1 3 350.849 2.811 20 5 FFBDHM COc1ccc(OCCSCc2nc(C)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000763208295 736913929 /nfs/dbraw/zinc/91/39/29/736913929.db2.gz KLIDVXXEIVLZBN-UHFFFAOYSA-N -1 3 351.384 2.720 20 5 FFBDHM COc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1[O-] ZINC000764569830 737030750 /nfs/dbraw/zinc/03/07/50/737030750.db2.gz WOKBFJMWYATQOB-UHFFFAOYSA-N -1 3 366.757 2.901 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000774811436 738029222 /nfs/dbraw/zinc/02/92/22/738029222.db2.gz WTBORUVSNLZBRG-SNVBAGLBSA-N -1 3 351.340 2.543 20 5 FFBDHM O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1)c1cccs1 ZINC000794625101 739911830 /nfs/dbraw/zinc/91/18/30/739911830.db2.gz LYPIHXAQHITEHW-UHFFFAOYSA-N -1 3 358.335 2.851 20 5 FFBDHM COc1cc(OC)cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800050817 740478670 /nfs/dbraw/zinc/47/86/70/740478670.db2.gz AAXJKKIHSAAMES-UHFFFAOYSA-N -1 3 370.358 2.860 20 5 FFBDHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000800154464 740493051 /nfs/dbraw/zinc/49/30/51/740493051.db2.gz RGFUTVDORMBAGL-UHFFFAOYSA-N -1 3 359.766 2.569 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837404943 746439800 /nfs/dbraw/zinc/43/98/00/746439800.db2.gz QIBLUOTUFUHFDH-UHFFFAOYSA-N -1 3 361.379 2.803 20 5 FFBDHM COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])[n-]1 ZINC000845877092 748342521 /nfs/dbraw/zinc/34/25/21/748342521.db2.gz DRZQGTXCEJXPNG-LKFCYVNXSA-N -1 3 350.302 2.504 20 5 FFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc3nonc32)cc1OC ZINC000773386628 1013256121 /nfs/dbraw/zinc/25/61/21/1013256121.db2.gz ZPCYBMLAHXDNFN-UHFFFAOYSA-N -1 3 358.310 2.791 20 5 FFBDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])n[n-]2)o1 ZINC000919323915 990619021 /nfs/dbraw/zinc/61/90/21/990619021.db2.gz CNPHSSMKQZCNPM-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[n-]n2)o1 ZINC000919323915 990619025 /nfs/dbraw/zinc/61/90/25/990619025.db2.gz CNPHSSMKQZCNPM-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM COc1ccc(CN(C)C)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599558319 998136896 /nfs/dbraw/zinc/13/68/96/998136896.db2.gz FJSUDEJJUWMEKZ-UHFFFAOYSA-N -1 3 373.365 2.616 20 5 FFBDHM COc1cccc([O-])c1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001147332133 1000872513 /nfs/dbraw/zinc/87/25/13/1000872513.db2.gz VQAKORCLWLYXOZ-UHFFFAOYSA-N -1 3 359.382 2.849 20 5 FFBDHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC001185614673 1003005560 /nfs/dbraw/zinc/00/55/60/1003005560.db2.gz MCPYXTNVTIXPEX-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2F)c([N+](=O)[O-])s1 ZINC001185822176 1003089201 /nfs/dbraw/zinc/08/92/01/1003089201.db2.gz FLECFPZGIORQDF-VIFPVBQESA-N -1 3 374.415 2.850 20 5 FFBDHM Cc1c(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cccc1[N+](=O)[O-] ZINC001197598110 1004292470 /nfs/dbraw/zinc/29/24/70/1004292470.db2.gz DOQBXQLCZSTHLH-SSDOTTSWSA-N -1 3 358.280 2.923 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CCC2)nc1 ZINC001194572238 1004763292 /nfs/dbraw/zinc/76/32/92/1004763292.db2.gz LZHXFVWJIBJPBW-UHFFFAOYSA-N -1 3 365.386 2.529 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])s1 ZINC001187634426 1006181349 /nfs/dbraw/zinc/18/13/49/1006181349.db2.gz PHHTYYFHQFLTGE-MRVPVSSYSA-N -1 3 374.444 2.685 20 5 FFBDHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853443667 1006392247 /nfs/dbraw/zinc/39/22/47/1006392247.db2.gz DPKAXYFEKVBEPL-RYUDHWBXSA-N -1 3 366.418 2.825 20 5 FFBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC001134751465 1006463520 /nfs/dbraw/zinc/46/35/20/1006463520.db2.gz QFTQRSGGTSTHBU-UHFFFAOYSA-N -1 3 360.351 2.962 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@]12CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000853692915 1006508347 /nfs/dbraw/zinc/50/83/47/1006508347.db2.gz LUBBWZGHHNYCHD-QGZVFWFLSA-N -1 3 364.402 2.675 20 5 FFBDHM CC(C)Oc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001135842578 1007488944 /nfs/dbraw/zinc/48/89/44/1007488944.db2.gz VMHMVRVNXLMWLJ-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM CC(C)Oc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001135842578 1007488950 /nfs/dbraw/zinc/48/89/50/1007488950.db2.gz VMHMVRVNXLMWLJ-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001218029363 1032961091 /nfs/dbraw/zinc/96/10/91/1032961091.db2.gz CDABCUBHFQXCCJ-IINYFYTJSA-N -1 3 371.389 2.830 20 5 FFBDHM Cc1c([N+](=O)[O-])cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000837437806 1025806777 /nfs/dbraw/zinc/80/67/77/1025806777.db2.gz GWJPQYJAXTYAPF-UHFFFAOYSA-N -1 3 374.309 2.541 20 5 FFBDHM O=c1[n-]ccc(NCCOc2cccc(Br)c2)c1[N+](=O)[O-] ZINC001162232478 1028477007 /nfs/dbraw/zinc/47/70/07/1028477007.db2.gz YFSRDCDDMYEISH-UHFFFAOYSA-N -1 3 354.160 2.949 20 5 FFBDHM COc1nc(SC)nc([N-][C@@H]2C(=O)Nc3ccc(C)cc32)c1[N+](=O)[O-] ZINC001162567191 1028582534 /nfs/dbraw/zinc/58/25/34/1028582534.db2.gz ULCDSNTYYQGXPP-JTQLQIEISA-N -1 3 361.383 2.529 20 5 FFBDHM COc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000782051853 1029545765 /nfs/dbraw/zinc/54/57/65/1029545765.db2.gz DMTJQMGOARGKBT-UHFFFAOYSA-N -1 3 371.305 2.716 20 5 FFBDHM COc1ccccc1CO[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000799097117 1031649422 /nfs/dbraw/zinc/64/94/22/1031649422.db2.gz YQURMFAEHGZHMY-UHFFFAOYSA-N -1 3 355.350 2.875 20 5 FFBDHM CC1(C)CC(=O)c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2O1 ZINC001150634562 1031758734 /nfs/dbraw/zinc/75/87/34/1031758734.db2.gz JXBDLZMJLDSUGY-UHFFFAOYSA-N -1 3 357.322 2.692 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001225664340 1034357231 /nfs/dbraw/zinc/35/72/31/1034357231.db2.gz NGRHTNFAVUGYRI-VIFPVBQESA-N -1 3 370.818 2.849 20 5 FFBDHM CCOC(=O)[C@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])c2ccccc2O1 ZINC001225664507 1034360112 /nfs/dbraw/zinc/36/01/12/1034360112.db2.gz PMEKUZYSARHQQI-ZIAGYGMSSA-N -1 3 360.322 2.530 20 5 FFBDHM O=c1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)[n-]c(C(F)(F)F)c1 ZINC001227584881 1035619765 /nfs/dbraw/zinc/61/97/65/1035619765.db2.gz XCUFOPXPNDDUKE-NSHDSACASA-N -1 3 370.287 2.767 20 5 FFBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001227692579 1035675254 /nfs/dbraw/zinc/67/52/54/1035675254.db2.gz AACBTDZKAJSDFB-SECBINFHSA-N -1 3 363.374 2.500 20 5 FFBDHM C[C@H](Oc1cccc(-c2nnn[n-]2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001231119061 1037477389 /nfs/dbraw/zinc/47/73/89/1037477389.db2.gz YGQXTYVAOUMCQL-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@H](Oc1cccc(-c2nn[n-]n2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001231119061 1037477402 /nfs/dbraw/zinc/47/74/02/1037477402.db2.gz YGQXTYVAOUMCQL-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c(F)cc1[N+](=O)[O-] ZINC001208421624 1038301830 /nfs/dbraw/zinc/30/18/30/1038301830.db2.gz NCQMKHWEAVWPLN-UHFFFAOYSA-N -1 3 374.340 2.842 20 5 FFBDHM COc1cc(C[NH2+][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c([N+](=O)[O-])cc1[O-] ZINC001327890078 1048084641 /nfs/dbraw/zinc/08/46/41/1048084641.db2.gz VSSUFAGMBDQEND-ABAIWWIYSA-N -1 3 352.387 2.678 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001307152612 1049393749 /nfs/dbraw/zinc/39/37/49/1049393749.db2.gz GSJAAEFSJHLKPB-IUCAKERBSA-N -1 3 365.777 2.819 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(-c3ccncc3)s2)ccc1[N+](=O)[O-] ZINC001340556070 1050944024 /nfs/dbraw/zinc/94/40/24/1050944024.db2.gz SHPLUMPORWISFV-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM Cc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c(N)c1[N+](=O)[O-] ZINC001304496895 1051624418 /nfs/dbraw/zinc/62/44/18/1051624418.db2.gz DSQYCGHOROOCIA-UHFFFAOYSA-N -1 3 374.303 2.857 20 5 FFBDHM C[C@H]([N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC001307119707 1052254226 /nfs/dbraw/zinc/25/42/26/1052254226.db2.gz KCJYSFJINSLDLR-LBPRGKRZSA-N -1 3 358.354 2.662 20 5 FFBDHM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC001518875774 1058535640 /nfs/dbraw/zinc/53/56/40/1058535640.db2.gz SUDNMNVLAUDACM-UHFFFAOYSA-N -1 3 356.331 2.600 20 5 FFBDHM Cc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1[N+](=O)[O-] ZINC001456937358 1060234450 /nfs/dbraw/zinc/23/44/50/1060234450.db2.gz OMNTVATUJDDDEA-MQMHXKEQSA-N -1 3 356.382 2.855 20 5 FFBDHM Cc1ccc(-c2nc(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])n[n-]2)o1 ZINC001457687332 1060424553 /nfs/dbraw/zinc/42/45/53/1060424553.db2.gz LUKYORSXTVZYGB-UHFFFAOYSA-N -1 3 359.317 2.992 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001475188593 1060988655 /nfs/dbraw/zinc/98/86/55/1060988655.db2.gz JFZGQEABBLELCK-VXGBXAGGSA-N -1 3 360.407 2.526 20 5 FFBDHM COc1cnc([C@H]2CCCN2CCCOc2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC001460911757 1061147631 /nfs/dbraw/zinc/14/76/31/1061147631.db2.gz QRUZGLIBCLDFNE-OAHLLOKOSA-N -1 3 374.397 2.705 20 5 FFBDHM Cc1nc(C)c(CCC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c(=O)[n-]1 ZINC001528142351 1061773932 /nfs/dbraw/zinc/77/39/32/1061773932.db2.gz MDRVQZQEJQNPHA-UHFFFAOYSA-N -1 3 367.365 2.827 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)nc1 ZINC001462926696 1061848525 /nfs/dbraw/zinc/84/85/25/1061848525.db2.gz PLGPCYFPGBMQCQ-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cc1 ZINC001463650189 1062198616 /nfs/dbraw/zinc/19/86/16/1062198616.db2.gz IMPPOQGFYHMWDY-QWHCGFSZSA-N -1 3 368.436 2.808 20 5 FFBDHM O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001466570111 1063482043 /nfs/dbraw/zinc/48/20/43/1063482043.db2.gz CLSHJYIXAHZFSY-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001468758814 1064033550 /nfs/dbraw/zinc/03/35/50/1064033550.db2.gz LHJFUMAXWNNLDP-UHFFFAOYSA-N -1 3 372.772 2.533 20 5 FFBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001468758814 1064033553 /nfs/dbraw/zinc/03/35/53/1064033553.db2.gz LHJFUMAXWNNLDP-UHFFFAOYSA-N -1 3 372.772 2.533 20 5 FFBDHM COc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC001580031456 1078732975 /nfs/dbraw/zinc/73/29/75/1078732975.db2.gz ZFRDQPUKRGRPFK-UHFFFAOYSA-N -1 3 358.333 2.843 20 5 FFBDHM COc1ccc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC001580031456 1078732981 /nfs/dbraw/zinc/73/29/81/1078732981.db2.gz ZFRDQPUKRGRPFK-UHFFFAOYSA-N -1 3 358.333 2.843 20 5 FFBDHM C[C@@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001580308599 1078784708 /nfs/dbraw/zinc/78/47/08/1078784708.db2.gz NUKVZQMYQCETIG-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001580308599 1078784711 /nfs/dbraw/zinc/78/47/11/1078784711.db2.gz NUKVZQMYQCETIG-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM CCOc1cncc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC001585854166 1079506052 /nfs/dbraw/zinc/50/60/52/1079506052.db2.gz VOHCCVIESSUMEJ-UHFFFAOYSA-N -1 3 373.188 2.860 20 5 FFBDHM Cc1cc(N(C)CCc2cccc(-c3nnn[n-]3)c2)c(F)cc1[N+](=O)[O-] ZINC001580949662 1078898494 /nfs/dbraw/zinc/89/84/94/1078898494.db2.gz JUSVUBOCGIQEDJ-UHFFFAOYSA-N -1 3 356.361 2.901 20 5 FFBDHM Cc1cc(N(C)CCc2cccc(-c3nn[n-]n3)c2)c(F)cc1[N+](=O)[O-] ZINC001580949662 1078898501 /nfs/dbraw/zinc/89/85/01/1078898501.db2.gz JUSVUBOCGIQEDJ-UHFFFAOYSA-N -1 3 356.361 2.901 20 5 FFBDHM O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001582804318 1079110118 /nfs/dbraw/zinc/11/01/18/1079110118.db2.gz AOVPAXQTWFQYFD-UHFFFAOYSA-N -1 3 366.168 2.511 20 5 FFBDHM O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001582804318 1079110121 /nfs/dbraw/zinc/11/01/21/1079110121.db2.gz AOVPAXQTWFQYFD-UHFFFAOYSA-N -1 3 366.168 2.511 20 5 FFBDHM Cc1cc(Cl)c(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001557317424 1075838065 /nfs/dbraw/zinc/83/80/65/1075838065.db2.gz DSTVJWKCMYMJBS-VIFPVBQESA-N -1 3 350.762 2.615 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001557750195 1075883437 /nfs/dbraw/zinc/88/34/37/1075883437.db2.gz AJOMYCKRXZXIMD-JKSUJKDBSA-N -1 3 368.393 2.778 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c([N+](=O)[O-])s1 ZINC001561467609 1076380092 /nfs/dbraw/zinc/38/00/92/1076380092.db2.gz ZFNFHCQAINQNHQ-AWEZNQCLSA-N -1 3 362.473 2.574 20 5 FFBDHM COCC(C)(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001561893517 1076439831 /nfs/dbraw/zinc/43/98/31/1076439831.db2.gz YNWSGJGAWYIMAN-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001568440586 1077092084 /nfs/dbraw/zinc/09/20/84/1077092084.db2.gz YXWMWXDSOVMZTE-UHFFFAOYSA-N -1 3 373.315 2.687 20 5 FFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588917440 1080262458 /nfs/dbraw/zinc/26/24/58/1080262458.db2.gz JKNCTVVRLPOGPO-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588917440 1080262470 /nfs/dbraw/zinc/26/24/70/1080262470.db2.gz JKNCTVVRLPOGPO-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589030539 1080314584 /nfs/dbraw/zinc/31/45/84/1080314584.db2.gz NDNPZAUWDLZHIX-JTQLQIEISA-N -1 3 371.328 2.761 20 5 FFBDHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589030539 1080314586 /nfs/dbraw/zinc/31/45/86/1080314586.db2.gz NDNPZAUWDLZHIX-JTQLQIEISA-N -1 3 371.328 2.761 20 5 FFBDHM CC(C)C1(c2ccccc2)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001589500251 1080567100 /nfs/dbraw/zinc/56/71/00/1080567100.db2.gz YQTWROQEFCDXLZ-UHFFFAOYSA-N -1 3 365.397 2.584 20 5 FFBDHM CC(C)C1(c2ccccc2)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001589500251 1080567111 /nfs/dbraw/zinc/56/71/11/1080567111.db2.gz YQTWROQEFCDXLZ-UHFFFAOYSA-N -1 3 365.397 2.584 20 5 FFBDHM CC(C)n1ncc2c1C[C@@H](Nc1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC2 ZINC001589784608 1080740465 /nfs/dbraw/zinc/74/04/65/1080740465.db2.gz IPTPJLXIXLNNIG-LBPRGKRZSA-N -1 3 368.401 2.522 20 5 FFBDHM CC(C)n1ncc2c1C[C@@H](Nc1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001589784608 1080740466 /nfs/dbraw/zinc/74/04/66/1080740466.db2.gz IPTPJLXIXLNNIG-LBPRGKRZSA-N -1 3 368.401 2.522 20 5 FFBDHM C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920569 1080861022 /nfs/dbraw/zinc/86/10/22/1080861022.db2.gz XVKDQZIJLUPVDS-VXGBXAGGSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920569 1080861027 /nfs/dbraw/zinc/86/10/27/1080861027.db2.gz XVKDQZIJLUPVDS-VXGBXAGGSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@H](Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033592 1080959910 /nfs/dbraw/zinc/95/99/10/1080959910.db2.gz YWNJOSVJOSIRCP-QMMMGPOBSA-N -1 3 351.388 2.597 20 5 FFBDHM C[C@H](Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033592 1080959916 /nfs/dbraw/zinc/95/99/16/1080959916.db2.gz YWNJOSVJOSIRCP-QMMMGPOBSA-N -1 3 351.388 2.597 20 5 FFBDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000444213551 514156071 /nfs/dbraw/zinc/15/60/71/514156071.db2.gz NJEOPPVBCWETDV-SCZZXKLOSA-N -1 3 363.233 2.824 20 5 FFBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000273100401 252216440 /nfs/dbraw/zinc/21/64/40/252216440.db2.gz AHQKZAPYPCIMEB-UHFFFAOYSA-N -1 3 359.342 2.673 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c1C ZINC000288268149 257167065 /nfs/dbraw/zinc/16/70/65/257167065.db2.gz DBUBSXHQUAHYGX-UHFFFAOYSA-N -1 3 365.411 2.557 20 5 FFBDHM Cc1nn(C)c(Sc2nnc([N-]CC(F)(F)F)s2)c1[N+](=O)[O-] ZINC000301283543 258039749 /nfs/dbraw/zinc/03/97/49/258039749.db2.gz NLBRKVYRHGOOMI-UHFFFAOYSA-N -1 3 354.339 2.614 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(C)(C)CC1 ZINC000326846802 258116100 /nfs/dbraw/zinc/11/61/00/258116100.db2.gz OXZGYZOXPMWKCE-UHFFFAOYSA-N -1 3 370.427 2.629 20 5 FFBDHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000331142404 258178481 /nfs/dbraw/zinc/17/84/81/258178481.db2.gz FMUNDRSDWDURFB-WCQYABFASA-N -1 3 374.484 2.946 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CCOCC1 ZINC000331153185 258178587 /nfs/dbraw/zinc/17/85/87/258178587.db2.gz XSGRAHNEPMSKOU-CQSZACIVSA-N -1 3 356.444 2.695 20 5 FFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1occ2c1CCOC2 ZINC000377141975 512139900 /nfs/dbraw/zinc/13/99/00/512139900.db2.gz PHHJZXQACHDQFD-UHFFFAOYSA-N -1 3 360.322 2.674 20 5 FFBDHM Cc1nccn1-c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000053546179 506402621 /nfs/dbraw/zinc/40/26/21/506402621.db2.gz ULKLTFRVSNWGAS-UHFFFAOYSA-N -1 3 363.337 2.613 20 5 FFBDHM CSc1ccccc1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000067296727 506820448 /nfs/dbraw/zinc/82/04/48/506820448.db2.gz VPRPNKCBUJZTKO-UHFFFAOYSA-N -1 3 366.420 2.973 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)c(F)c1 ZINC000067433584 506878647 /nfs/dbraw/zinc/87/86/47/506878647.db2.gz KRFDDWRWISJLIV-JSGCOSHPSA-N -1 3 354.334 2.707 20 5 FFBDHM COCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000056044790 506917972 /nfs/dbraw/zinc/91/79/72/506917972.db2.gz YXELROHBNMUMMH-UHFFFAOYSA-N -1 3 370.814 2.873 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000068939070 507366423 /nfs/dbraw/zinc/36/64/23/507366423.db2.gz PSTNTEJRTSXZJP-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000068938277 507366755 /nfs/dbraw/zinc/36/67/55/507366755.db2.gz DCFCXFDZIACEFN-ZDUSSCGKSA-N -1 3 366.370 2.844 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000024258479 507399749 /nfs/dbraw/zinc/39/97/49/507399749.db2.gz MVKIQZONIKTPPR-CYBMUJFWSA-N -1 3 364.423 2.903 20 5 FFBDHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025383665 507496605 /nfs/dbraw/zinc/49/66/05/507496605.db2.gz CVPDMRADKRYSGM-AWEZNQCLSA-N -1 3 361.423 2.929 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccccc2)cc1C ZINC000060497136 507553285 /nfs/dbraw/zinc/55/32/85/507553285.db2.gz CLGNCYLCWYUOFU-UHFFFAOYSA-N -1 3 350.396 2.569 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029939665 507796844 /nfs/dbraw/zinc/79/68/44/507796844.db2.gz QXVOCNJJROFOHN-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOc1ccccc1 ZINC000030007964 507799318 /nfs/dbraw/zinc/79/93/18/507799318.db2.gz AKRUXISNAJGELM-UHFFFAOYSA-N -1 3 370.814 2.996 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccccc1F ZINC000030007903 507799411 /nfs/dbraw/zinc/79/94/11/507799411.db2.gz GHSJONXZVOFTIW-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)c1ccccc1 ZINC000030495421 507809263 /nfs/dbraw/zinc/80/92/63/507809263.db2.gz XHOHDUUQLLQDRK-LBPRGKRZSA-N -1 3 350.396 2.685 20 5 FFBDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000078762898 507905098 /nfs/dbraw/zinc/90/50/98/507905098.db2.gz RJTISUVHEASULI-MRXNPFEDSA-N -1 3 363.414 2.852 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000108875303 507922627 /nfs/dbraw/zinc/92/26/27/507922627.db2.gz CFHVLKSOBKOKGO-ZDUSSCGKSA-N -1 3 362.407 2.748 20 5 FFBDHM CC(=O)Nc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C ZINC000074457748 508025107 /nfs/dbraw/zinc/02/51/07/508025107.db2.gz JCWPVDPEUPMQLO-UHFFFAOYSA-N -1 3 353.338 2.990 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000111350014 508092435 /nfs/dbraw/zinc/09/24/35/508092435.db2.gz KNZTXZSOABUEQW-CYBMUJFWSA-N -1 3 362.407 2.612 20 5 FFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000085785659 508316536 /nfs/dbraw/zinc/31/65/36/508316536.db2.gz ZVCCMCKLNSDTJS-CQSZACIVSA-N -1 3 355.394 2.819 20 5 FFBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1C ZINC000122401777 508528708 /nfs/dbraw/zinc/52/87/08/508528708.db2.gz CHGQZCMZEKQXEL-UHFFFAOYSA-N -1 3 361.470 2.943 20 5 FFBDHM Cc1c(C(=O)Nc2cccc([O-])c2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000128209830 508563258 /nfs/dbraw/zinc/56/32/58/508563258.db2.gz GVMFIHHXLYYBCO-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2nc(C3CC3)cs2)cc1 ZINC000122856658 508597943 /nfs/dbraw/zinc/59/79/43/508597943.db2.gz PPAJNYPQFZJBQW-UHFFFAOYSA-N -1 3 353.425 2.548 20 5 FFBDHM CC(=O)N(C)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000118363847 508648266 /nfs/dbraw/zinc/64/82/66/508648266.db2.gz GYJWKXDWWMASNF-UHFFFAOYSA-N -1 3 353.338 2.706 20 5 FFBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000154137452 508723167 /nfs/dbraw/zinc/72/31/67/508723167.db2.gz ZEVDBYXGFJMSPM-UHFFFAOYSA-N -1 3 368.353 2.910 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1Br ZINC000147729523 508859773 /nfs/dbraw/zinc/85/97/73/508859773.db2.gz YSBILOUDEKNLGW-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000124717470 508874235 /nfs/dbraw/zinc/87/42/35/508874235.db2.gz MAGMOERSNKOABE-SNVBAGLBSA-N -1 3 357.457 2.603 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)c1C ZINC000155040479 508910268 /nfs/dbraw/zinc/91/02/68/508910268.db2.gz ACWSZKBJPRYMFB-OAHLLOKOSA-N -1 3 358.460 2.533 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccn(C2CCCC2)n1 ZINC000125701868 509018928 /nfs/dbraw/zinc/01/89/28/509018928.db2.gz CZWIARVHYALJAC-UHFFFAOYSA-N -1 3 364.427 2.693 20 5 FFBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000248572171 509372809 /nfs/dbraw/zinc/37/28/09/509372809.db2.gz SNITUXQCCSORRC-YUELXQCFSA-N -1 3 372.381 2.863 20 5 FFBDHM CN(C)CCN(Cc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179452243 509450620 /nfs/dbraw/zinc/45/06/20/509450620.db2.gz BUZFYSUSXVSRDT-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173311061 509523156 /nfs/dbraw/zinc/52/31/56/509523156.db2.gz QOWUTSTYIUWJEU-UHFFFAOYSA-N -1 3 372.834 2.512 20 5 FFBDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000173484285 509628318 /nfs/dbraw/zinc/62/83/18/509628318.db2.gz QPEBGOUPNKPJAU-CYBMUJFWSA-N -1 3 353.425 2.789 20 5 FFBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173516944 509640400 /nfs/dbraw/zinc/64/04/00/509640400.db2.gz ZXMLYEUJNFTUIY-VIFPVBQESA-N -1 3 350.824 2.730 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000186370977 509673920 /nfs/dbraw/zinc/67/39/20/509673920.db2.gz RTNXPHBBTRGSDT-UHFFFAOYSA-N -1 3 352.799 2.694 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000192928712 509703218 /nfs/dbraw/zinc/70/32/18/509703218.db2.gz YGEXRHYOWGTYAE-HNNXBMFYSA-N -1 3 370.814 2.914 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cs1 ZINC000189957063 509850980 /nfs/dbraw/zinc/85/09/80/509850980.db2.gz CNUZIMVOXJRHQS-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000186701219 509859345 /nfs/dbraw/zinc/85/93/45/509859345.db2.gz BMRIOHFNJSQZPV-VIFPVBQESA-N -1 3 372.374 2.992 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000190030041 509894854 /nfs/dbraw/zinc/89/48/54/509894854.db2.gz DTEJEGOBBNQNAE-OAHLLOKOSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000193738794 510044855 /nfs/dbraw/zinc/04/48/55/510044855.db2.gz DBMCIPYOQAPHSM-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000190457669 510141801 /nfs/dbraw/zinc/14/18/01/510141801.db2.gz MZDSWHWNWMPXAO-UHFFFAOYSA-N -1 3 362.407 2.959 20 5 FFBDHM COc1cccc2c1nc(NC(=O)c1n[n-]c3ccc([N+](=O)[O-])cc31)n2C ZINC000184149383 510160647 /nfs/dbraw/zinc/16/06/47/510160647.db2.gz YWSJSCCKLRMZLG-UHFFFAOYSA-N -1 3 366.337 2.619 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c(F)c1 ZINC000190941058 510425879 /nfs/dbraw/zinc/42/58/79/510425879.db2.gz OUUOAPLMFIYROL-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000184704761 510473504 /nfs/dbraw/zinc/47/35/04/510473504.db2.gz HUGUDCSOFMWICK-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000184704761 510473506 /nfs/dbraw/zinc/47/35/06/510473506.db2.gz HUGUDCSOFMWICK-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000184704761 510473508 /nfs/dbraw/zinc/47/35/08/510473508.db2.gz HUGUDCSOFMWICK-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000172664868 510839303 /nfs/dbraw/zinc/83/93/03/510839303.db2.gz RKXJTFLNOXLMLR-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(C3CCOCC3)s2)ccc1[N+](=O)[O-] ZINC000294178772 510981109 /nfs/dbraw/zinc/98/11/09/510981109.db2.gz NCGRXNSHMBFOBK-UHFFFAOYSA-N -1 3 364.383 2.601 20 5 FFBDHM COc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000282473700 510992301 /nfs/dbraw/zinc/99/23/01/510992301.db2.gz KWGDJPZLJUILDW-UHFFFAOYSA-N -1 3 360.366 2.632 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280847556 511627787 /nfs/dbraw/zinc/62/77/87/511627787.db2.gz AAONBYFJEAIYBR-XJKSGUPXSA-N -1 3 355.394 2.551 20 5 FFBDHM C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1Cc1ccccc1 ZINC000311878578 511780361 /nfs/dbraw/zinc/78/03/61/511780361.db2.gz VJBXAWBVVVONQR-CJNGLKHVSA-N -1 3 355.394 2.693 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C1CCC1 ZINC000324451692 511836481 /nfs/dbraw/zinc/83/64/81/511836481.db2.gz DQTIWAIFLMRZHN-AWEZNQCLSA-N -1 3 370.427 2.629 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCC(C)(C)C1 ZINC000327935926 511883240 /nfs/dbraw/zinc/88/32/40/511883240.db2.gz HEJOCUFFWQTLBY-NSHDSACASA-N -1 3 370.427 2.629 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(F)c1 ZINC000435229901 513538889 /nfs/dbraw/zinc/53/88/89/513538889.db2.gz MPMQFEOXNSWFPN-IAOVAPTHSA-N -1 3 362.382 2.741 20 5 FFBDHM CCCCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416382004 513743237 /nfs/dbraw/zinc/74/32/37/513743237.db2.gz BWDRXLUZRCSIBS-UHFFFAOYSA-N -1 3 370.349 2.709 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000436183750 513787238 /nfs/dbraw/zinc/78/72/38/513787238.db2.gz JZRLPMGGGIEAHL-CQSZACIVSA-N -1 3 372.349 2.539 20 5 FFBDHM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)CC(F)(F)F ZINC000416605825 513863441 /nfs/dbraw/zinc/86/34/41/513863441.db2.gz YRDDRSQJGORLES-VIFPVBQESA-N -1 3 370.349 2.860 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)cc1C ZINC000451670561 513902262 /nfs/dbraw/zinc/90/22/62/513902262.db2.gz JOPSADMJJVTZPF-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM COc1cc(-c2noc(-c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)ccc1[O-] ZINC000436785308 513979015 /nfs/dbraw/zinc/97/90/15/513979015.db2.gz NWODZPLWEAPTQK-UHFFFAOYSA-N -1 3 353.294 2.902 20 5 FFBDHM COc1ccc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c([O-])c1 ZINC000443554706 513994478 /nfs/dbraw/zinc/99/44/78/513994478.db2.gz BAHWFBCOTKENGG-UHFFFAOYSA-N -1 3 354.322 2.747 20 5 FFBDHM O=C([O-])[C@H](CN1CCCc2ccccc21)NCc1ccc([N+](=O)[O-])cc1 ZINC000426756064 514034598 /nfs/dbraw/zinc/03/45/98/514034598.db2.gz HPUHRSSSUHWIDI-KRWDZBQOSA-N -1 3 355.394 2.590 20 5 FFBDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000444213552 514155295 /nfs/dbraw/zinc/15/52/95/514155295.db2.gz NJEOPPVBCWETDV-WCBMZHEXSA-N -1 3 363.233 2.824 20 5 FFBDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000427248997 514161959 /nfs/dbraw/zinc/16/19/59/514161959.db2.gz KCENNLHEBHQPBS-OCCSQVGLSA-N -1 3 374.484 2.946 20 5 FFBDHM COC(=O)[C@H](CNc1nc(C)ccc1[N+](=O)[O-])Cc1ccc([O-])c(F)c1 ZINC000420630718 514207506 /nfs/dbraw/zinc/20/75/06/514207506.db2.gz FKTYKGWYCBNSCW-LBPRGKRZSA-N -1 3 363.345 2.587 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)cc1[N+](=O)[O-] ZINC000438238802 514335999 /nfs/dbraw/zinc/33/59/99/514335999.db2.gz UYRVDBILDRWPOJ-UHFFFAOYSA-N -1 3 363.439 2.808 20 5 FFBDHM Cc1ccc(NCCCNC(=O)Cc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000449918253 514423529 /nfs/dbraw/zinc/42/35/29/514423529.db2.gz XWJVFZLBGFVCGJ-UHFFFAOYSA-N -1 3 361.373 2.909 20 5 FFBDHM COc1cc(-c2noc(CN(C)c3ccccc3[N+](=O)[O-])n2)ccc1[O-] ZINC000438742157 514432727 /nfs/dbraw/zinc/43/27/27/514432727.db2.gz VQWXDHXGDWILDI-UHFFFAOYSA-N -1 3 356.338 2.995 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000445698180 514507144 /nfs/dbraw/zinc/50/71/44/514507144.db2.gz XSSIQVBSNZJTMX-SNVBAGLBSA-N -1 3 370.349 2.859 20 5 FFBDHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452859768 514521722 /nfs/dbraw/zinc/52/17/22/514521722.db2.gz BQDDJXVEVSYXMY-AWEZNQCLSA-N -1 3 351.366 2.886 20 5 FFBDHM Cc1ncc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000475207120 514584568 /nfs/dbraw/zinc/58/45/68/514584568.db2.gz VWZNEJVAZQTCJF-UHFFFAOYSA-N -1 3 371.275 2.739 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)c1C ZINC000466567724 514694681 /nfs/dbraw/zinc/69/46/81/514694681.db2.gz QCPJQUVSNWXYRQ-IRXDYDNUSA-N -1 3 368.455 2.695 20 5 FFBDHM Cc1cc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c(F)cc1[N+](=O)[O-] ZINC000461786066 514736987 /nfs/dbraw/zinc/73/69/87/514736987.db2.gz OZZZINNPEUAIRJ-GOSISDBHSA-N -1 3 372.356 2.709 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3OC)[n-]c21 ZINC000476406559 515037512 /nfs/dbraw/zinc/03/75/12/515037512.db2.gz DFLGEXWMZGSGTP-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc([N+](=O)[O-])c3OC)nc21 ZINC000476406559 515037523 /nfs/dbraw/zinc/03/75/23/515037523.db2.gz DFLGEXWMZGSGTP-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000480698310 515049600 /nfs/dbraw/zinc/04/96/00/515049600.db2.gz NMCYWYRSRQMGMT-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000480735425 515063634 /nfs/dbraw/zinc/06/36/34/515063634.db2.gz FOXVFVBJJGGUQU-ZBFHGGJFSA-N -1 3 370.471 2.941 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000462487475 515080453 /nfs/dbraw/zinc/08/04/53/515080453.db2.gz JVROQEFHPARVEH-ZFWWWQNUSA-N -1 3 362.407 2.513 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)c1ccco1 ZINC000503721189 515129961 /nfs/dbraw/zinc/12/99/61/515129961.db2.gz AQVWHCRGLARDLC-CQSZACIVSA-N -1 3 368.411 2.861 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCC(C)CC1 ZINC000480958549 515151461 /nfs/dbraw/zinc/15/14/61/515151461.db2.gz UYBBMRSJRXSPOQ-UHFFFAOYSA-N -1 3 356.444 2.777 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCC2 ZINC000462660474 515175204 /nfs/dbraw/zinc/17/52/04/515175204.db2.gz RVKVYKLMDQXGFY-GJZGRUSLSA-N -1 3 372.418 2.750 20 5 FFBDHM COc1cc([O-])cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC000509535194 515223350 /nfs/dbraw/zinc/22/33/50/515223350.db2.gz CFJKRIVVTZVEEW-UHFFFAOYSA-N -1 3 364.379 2.646 20 5 FFBDHM CNc1c(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)cccc1[N+](=O)[O-] ZINC000462780791 515240016 /nfs/dbraw/zinc/24/00/16/515240016.db2.gz ZRKSBZBIHKTJNC-UHFFFAOYSA-N -1 3 369.337 2.552 20 5 FFBDHM CNc1c(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cccc1[N+](=O)[O-] ZINC000462780791 515240021 /nfs/dbraw/zinc/24/00/21/515240021.db2.gz ZRKSBZBIHKTJNC-UHFFFAOYSA-N -1 3 369.337 2.552 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000509793313 515325569 /nfs/dbraw/zinc/32/55/69/515325569.db2.gz HTXYOWCEJMTAPE-AWEZNQCLSA-N -1 3 369.487 2.692 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)c1[N+](=O)[O-] ZINC000481497705 515349550 /nfs/dbraw/zinc/34/95/50/515349550.db2.gz XCNDLJRINODLOI-CYBMUJFWSA-N -1 3 358.460 2.677 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000491274246 515405270 /nfs/dbraw/zinc/40/52/70/515405270.db2.gz YLRMYKFKYAJVTR-SNVBAGLBSA-N -1 3 372.374 2.635 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCC2CCCCC2)cc1[N+](=O)[O-] ZINC000491300202 515410253 /nfs/dbraw/zinc/41/02/53/515410253.db2.gz XFPXYPFQKSMAKQ-UHFFFAOYSA-N -1 3 360.407 2.991 20 5 FFBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000481920010 515512595 /nfs/dbraw/zinc/51/25/95/515512595.db2.gz JJEFWBXWUXJPRG-UHFFFAOYSA-N -1 3 371.300 2.876 20 5 FFBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000481920010 515512606 /nfs/dbraw/zinc/51/26/06/515512606.db2.gz JJEFWBXWUXJPRG-UHFFFAOYSA-N -1 3 371.300 2.876 20 5 FFBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000481920010 515512611 /nfs/dbraw/zinc/51/26/11/515512611.db2.gz JJEFWBXWUXJPRG-UHFFFAOYSA-N -1 3 371.300 2.876 20 5 FFBDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000510363009 515516370 /nfs/dbraw/zinc/51/63/70/515516370.db2.gz JWPZDOOHQRRIEJ-MNOVXSKESA-N -1 3 373.456 2.657 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1F ZINC000510598115 515602809 /nfs/dbraw/zinc/60/28/09/515602809.db2.gz GPXGDVMNALHKFD-QMMMGPOBSA-N -1 3 359.766 2.822 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)(C)C ZINC000510622048 515610324 /nfs/dbraw/zinc/61/03/24/515610324.db2.gz LRXIGVDGSYPBQD-AWEZNQCLSA-N -1 3 358.460 2.941 20 5 FFBDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000510669903 515632038 /nfs/dbraw/zinc/63/20/38/515632038.db2.gz VYTFVLYHMBYMIE-UHFFFAOYSA-N -1 3 359.429 2.783 20 5 FFBDHM Cn1ccc2c(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cccc2c1=O ZINC000505770362 515665089 /nfs/dbraw/zinc/66/50/89/515665089.db2.gz AQQVYKROCSGZJV-UHFFFAOYSA-N -1 3 363.333 2.575 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000511360089 515876487 /nfs/dbraw/zinc/87/64/87/515876487.db2.gz NCQFOZFLUBEMEA-UHFFFAOYSA-N -1 3 368.333 2.614 20 5 FFBDHM COc1cc(F)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000500933706 515909218 /nfs/dbraw/zinc/90/92/18/515909218.db2.gz LXFROZYEJBPCNF-UHFFFAOYSA-N -1 3 360.301 2.880 20 5 FFBDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000474384100 516023849 /nfs/dbraw/zinc/02/38/49/516023849.db2.gz HSTLRKPPXUWOFE-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000511859452 516056860 /nfs/dbraw/zinc/05/68/60/516056860.db2.gz NRJLQLSADPKEDW-UHFFFAOYSA-N -1 3 364.423 2.877 20 5 FFBDHM COc1ccccc1-c1csc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000495290503 516130064 /nfs/dbraw/zinc/13/00/64/516130064.db2.gz TYYCSOCTKPSEES-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000479405045 516183592 /nfs/dbraw/zinc/18/35/92/516183592.db2.gz HBHDHBZBQDBQGI-TZMCWYRMSA-N -1 3 356.444 2.775 20 5 FFBDHM COc1cc(NC(C)=O)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000501767052 516218845 /nfs/dbraw/zinc/21/88/45/516218845.db2.gz IKZDXOOKIPGSAT-UHFFFAOYSA-N -1 3 369.337 2.690 20 5 FFBDHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000507501710 516224609 /nfs/dbraw/zinc/22/46/09/516224609.db2.gz GHFKQTLOAXOGPE-UHFFFAOYSA-N -1 3 374.422 2.540 20 5 FFBDHM Cc1cc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000484210756 516315841 /nfs/dbraw/zinc/31/58/41/516315841.db2.gz LXDHUSIYAWNPAR-UHFFFAOYSA-N -1 3 355.310 2.772 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000554710543 516599538 /nfs/dbraw/zinc/59/95/38/516599538.db2.gz QTOXRHOOGGSJKG-HNNXBMFYSA-N -1 3 370.814 2.914 20 5 FFBDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000551315454 516657125 /nfs/dbraw/zinc/65/71/25/516657125.db2.gz XUBHUBKJQLHIQX-UHFFFAOYSA-N -1 3 364.423 2.823 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000561724817 516733147 /nfs/dbraw/zinc/73/31/47/516733147.db2.gz SBQDRDOXUHBAPA-RMLUDKJBSA-N -1 3 354.409 2.765 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000514825976 517076135 /nfs/dbraw/zinc/07/61/35/517076135.db2.gz YIPWZHLSEALVME-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000559106219 517084774 /nfs/dbraw/zinc/08/47/74/517084774.db2.gz VAGGWQZRDCBFQY-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM O=C(CCCc1ccc([O-])c(F)c1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000527041563 517467423 /nfs/dbraw/zinc/46/74/23/517467423.db2.gz LWNJLNSRSJNDQS-UHFFFAOYSA-N -1 3 362.357 2.957 20 5 FFBDHM CC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000533465755 517478066 /nfs/dbraw/zinc/47/80/66/517478066.db2.gz JVNBUNUEONOECY-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM CC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000531142554 518152579 /nfs/dbraw/zinc/15/25/79/518152579.db2.gz WYJHDBVQQLFHNP-GFCCVEGCSA-N -1 3 368.386 2.870 20 5 FFBDHM CCN(CC)[C@H](CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccco1 ZINC000578511593 518245897 /nfs/dbraw/zinc/24/58/97/518245897.db2.gz XVOIWMAJMSKIQV-CYBMUJFWSA-N -1 3 362.386 2.506 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cncc(Cl)c2Br)n1 ZINC000573243267 518573029 /nfs/dbraw/zinc/57/30/29/518573029.db2.gz FUKLLJZRMVVQRW-UHFFFAOYSA-N -1 3 374.582 2.874 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000570450423 518613165 /nfs/dbraw/zinc/61/31/65/518613165.db2.gz UEUQSHWJTVVPMX-GFCCVEGCSA-N -1 3 372.443 2.610 20 5 FFBDHM COc1cc(CNc2ccc(F)c(NC(N)=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000576724800 518733389 /nfs/dbraw/zinc/73/33/89/518733389.db2.gz AQATTZRAMWJXHV-UHFFFAOYSA-N -1 3 350.306 2.551 20 5 FFBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000571483780 519116261 /nfs/dbraw/zinc/11/62/61/519116261.db2.gz OVDVPXYHIAJBPS-INIZCTEOSA-N -1 3 364.423 2.633 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594492157 520001339 /nfs/dbraw/zinc/00/13/39/520001339.db2.gz VFFARNQXZBGAOW-AWEZNQCLSA-N -1 3 354.428 2.506 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nn(C)c3ccccc23)c1C ZINC000612687269 520089208 /nfs/dbraw/zinc/08/92/08/520089208.db2.gz BTJHKJZPPZMGSX-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM CC(C)(C)OC(=O)Cn1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000591955963 520106743 /nfs/dbraw/zinc/10/67/43/520106743.db2.gz LPAAJUMZLXCZHZ-UHFFFAOYSA-N -1 3 353.766 2.925 20 5 FFBDHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000609543417 520352119 /nfs/dbraw/zinc/35/21/19/520352119.db2.gz INDFLFZIFQPCHV-MGPLVRAMSA-N -1 3 350.371 2.946 20 5 FFBDHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCC[C@H]21 ZINC000600676509 520391210 /nfs/dbraw/zinc/39/12/10/520391210.db2.gz VYNLKAIIUHTHRX-ZNMIVQPWSA-N -1 3 372.381 2.720 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C1CCC(F)CC1 ZINC000595359981 520429832 /nfs/dbraw/zinc/42/98/32/520429832.db2.gz VUEGUZVFRICTLA-UNXYVOJBSA-N -1 3 360.407 2.799 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)cc1[N+](=O)[O-] ZINC000595382508 520440779 /nfs/dbraw/zinc/44/07/79/520440779.db2.gz UACJUMSKEFBTJT-UHFFFAOYSA-N -1 3 352.359 2.563 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H](N2CCCC2)C1 ZINC000592762235 520563623 /nfs/dbraw/zinc/56/36/23/520563623.db2.gz HNUJIQJPNBZMRH-GFCCVEGCSA-N -1 3 353.806 2.654 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c(F)c1 ZINC000610711758 520809088 /nfs/dbraw/zinc/80/90/88/520809088.db2.gz CIYAXHLWYRNOIL-LBPRGKRZSA-N -1 3 372.761 2.799 20 5 FFBDHM COc1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC(F)F ZINC000596079036 520899746 /nfs/dbraw/zinc/89/97/46/520899746.db2.gz ZROLCJSEKSBIAP-UHFFFAOYSA-N -1 3 355.297 2.942 20 5 FFBDHM Cc1cc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c([N+](=O)[O-])s1 ZINC000596110198 520917739 /nfs/dbraw/zinc/91/77/39/520917739.db2.gz NAZDVAOXGZACEN-MRXNPFEDSA-N -1 3 360.395 2.631 20 5 FFBDHM CC(=O)N1CCCCC[C@H]1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596121453 520925047 /nfs/dbraw/zinc/92/50/47/520925047.db2.gz OVUFQLFHZXMBTL-HNNXBMFYSA-N -1 3 362.430 2.703 20 5 FFBDHM Cc1nc(CN2CCC(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)oc1C ZINC000596124701 520927199 /nfs/dbraw/zinc/92/71/99/520927199.db2.gz YVSFHNITKUJHMW-UHFFFAOYSA-N -1 3 361.402 2.624 20 5 FFBDHM COc1cc(N[C@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000596161367 520945467 /nfs/dbraw/zinc/94/54/67/520945467.db2.gz VZJMCSQFZSTUSU-LBPRGKRZSA-N -1 3 374.397 2.794 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000611030772 520953356 /nfs/dbraw/zinc/95/33/56/520953356.db2.gz VMTHACHJFZIUAV-UHFFFAOYSA-N -1 3 367.861 2.762 20 5 FFBDHM O=c1[n-]ccc(N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000596176405 520953630 /nfs/dbraw/zinc/95/36/30/520953630.db2.gz FVAFXKGPEGDPLB-ZDUSSCGKSA-N -1 3 367.308 2.875 20 5 FFBDHM CCc1cccc(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000593656852 521134961 /nfs/dbraw/zinc/13/49/61/521134961.db2.gz PYVLCOLBYWHKKC-UHFFFAOYSA-N -1 3 368.386 2.783 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2COc3cccc(C)c3C2)cc1[N+](=O)[O-] ZINC000599373660 521181812 /nfs/dbraw/zinc/18/18/12/521181812.db2.gz DLOXULLILKPYGQ-LLVKDONJSA-N -1 3 368.436 2.555 20 5 FFBDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000593748504 521191753 /nfs/dbraw/zinc/19/17/53/521191753.db2.gz OEVRESSYGLGCBT-CYBMUJFWSA-N -1 3 374.397 2.968 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)c2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000599413422 521205705 /nfs/dbraw/zinc/20/57/05/521205705.db2.gz WTRQPKAUASUYPD-UHFFFAOYSA-N -1 3 369.468 2.924 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cncc(F)c1 ZINC000611619233 521252914 /nfs/dbraw/zinc/25/29/14/521252914.db2.gz UKDJBHPGDVCFEQ-QMMMGPOBSA-N -1 3 359.766 2.822 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000619482336 521591067 /nfs/dbraw/zinc/59/10/67/521591067.db2.gz QBSHMVQIJBNBLY-ZDUSSCGKSA-N -1 3 366.370 2.708 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000619486699 521593999 /nfs/dbraw/zinc/59/39/99/521593999.db2.gz QIRLRUISLZPDEW-ZIAGYGMSSA-N -1 3 362.407 2.513 20 5 FFBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000496466417 561494150 /nfs/dbraw/zinc/49/41/50/561494150.db2.gz FXGOOOKIYYNDJJ-UHFFFAOYSA-N -1 3 352.306 2.966 20 5 FFBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nnn[n-]3)cc2F)nc2sccn21 ZINC000823630108 599059194 /nfs/dbraw/zinc/05/91/94/599059194.db2.gz RWETXSQYSTZGGZ-UHFFFAOYSA-N -1 3 363.359 2.774 20 5 FFBDHM O=[N+]([O-])c1c(Sc2ccc(-c3nn[n-]n3)cc2F)nc2sccn21 ZINC000823630108 599059197 /nfs/dbraw/zinc/05/91/97/599059197.db2.gz RWETXSQYSTZGGZ-UHFFFAOYSA-N -1 3 363.359 2.774 20 5 FFBDHM CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000821362338 599101058 /nfs/dbraw/zinc/10/10/58/599101058.db2.gz ZWOUPPYNTBPWIM-CABCVRRESA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000821362338 599101059 /nfs/dbraw/zinc/10/10/59/599101059.db2.gz ZWOUPPYNTBPWIM-CABCVRRESA-N -1 3 358.402 2.925 20 5 FFBDHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736194256 599110816 /nfs/dbraw/zinc/11/08/16/599110816.db2.gz YQKKKTCQAQQKRH-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000736194256 599110819 /nfs/dbraw/zinc/11/08/19/599110819.db2.gz YQKKKTCQAQQKRH-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM CCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000821417531 607269428 /nfs/dbraw/zinc/26/94/28/607269428.db2.gz NTOQVFAUBPUOIH-UHFFFAOYSA-N -1 3 368.353 2.734 20 5 FFBDHM CCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000821417531 607269429 /nfs/dbraw/zinc/26/94/29/607269429.db2.gz NTOQVFAUBPUOIH-UHFFFAOYSA-N -1 3 368.353 2.734 20 5 FFBDHM C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160614 598583181 /nfs/dbraw/zinc/58/31/81/598583181.db2.gz SPHQZLAUNWMNBB-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160614 598583183 /nfs/dbraw/zinc/58/31/83/598583183.db2.gz SPHQZLAUNWMNBB-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOc3ccc(F)cc32)c(-c2nnn[n-]2)c1 ZINC000738368850 598593377 /nfs/dbraw/zinc/59/33/77/598593377.db2.gz DUOHOGARCFVZDC-CQSZACIVSA-N -1 3 356.317 2.850 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCOc3ccc(F)cc32)c(-c2nn[n-]n2)c1 ZINC000738368850 598593379 /nfs/dbraw/zinc/59/33/79/598593379.db2.gz DUOHOGARCFVZDC-CQSZACIVSA-N -1 3 356.317 2.850 20 5 FFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736299233 598601703 /nfs/dbraw/zinc/60/17/03/598601703.db2.gz SXEHJZKGOOOFNS-GFCCVEGCSA-N -1 3 366.381 2.605 20 5 FFBDHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C ZINC000737090408 598672456 /nfs/dbraw/zinc/67/24/56/598672456.db2.gz HFVYRYYTDZFVAM-UHFFFAOYSA-N -1 3 354.370 2.728 20 5 FFBDHM COc1ccc(CN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C ZINC000737090408 598672457 /nfs/dbraw/zinc/67/24/57/598672457.db2.gz HFVYRYYTDZFVAM-UHFFFAOYSA-N -1 3 354.370 2.728 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737799316 598703522 /nfs/dbraw/zinc/70/35/22/598703522.db2.gz NPPDACMNNAOCGV-BAQGIRSFSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737799316 598703524 /nfs/dbraw/zinc/70/35/24/598703524.db2.gz NPPDACMNNAOCGV-BAQGIRSFSA-N -1 3 369.312 2.671 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc(F)cc3-c3nnn[n-]3)c2)cc1 ZINC000738360298 598758181 /nfs/dbraw/zinc/75/81/81/598758181.db2.gz OHFBUAQHZXGHOS-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc(F)cc3-c3nn[n-]n3)c2)cc1 ZINC000738360298 598758182 /nfs/dbraw/zinc/75/81/82/598758182.db2.gz OHFBUAQHZXGHOS-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737264832 599301944 /nfs/dbraw/zinc/30/19/44/599301944.db2.gz QLSMFITXXAHRPW-UHFFFAOYSA-N -1 3 359.729 2.956 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737264832 599301948 /nfs/dbraw/zinc/30/19/48/599301948.db2.gz QLSMFITXXAHRPW-UHFFFAOYSA-N -1 3 359.729 2.956 20 5 FFBDHM CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508887 599312561 /nfs/dbraw/zinc/31/25/61/599312561.db2.gz PLIIYLBZTAJATE-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508887 599312563 /nfs/dbraw/zinc/31/25/63/599312563.db2.gz PLIIYLBZTAJATE-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(C[C@@H]1CCCO1)C1CCCC1 ZINC000738360415 599323464 /nfs/dbraw/zinc/32/34/64/599323464.db2.gz WLAZDLMHHLLLOV-AWEZNQCLSA-N -1 3 358.402 2.703 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(C[C@@H]1CCCO1)C1CCCC1 ZINC000738360415 599323467 /nfs/dbraw/zinc/32/34/67/599323467.db2.gz WLAZDLMHHLLLOV-AWEZNQCLSA-N -1 3 358.402 2.703 20 5 FFBDHM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116199 599371726 /nfs/dbraw/zinc/37/17/26/599371726.db2.gz LKHCRCCLBRMDGS-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116199 599371728 /nfs/dbraw/zinc/37/17/28/599371728.db2.gz LKHCRCCLBRMDGS-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM CSc1ccc(F)cc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821984802 599686946 /nfs/dbraw/zinc/68/69/46/599686946.db2.gz UCAHCLONRYJEPJ-UHFFFAOYSA-N -1 3 361.362 2.643 20 5 FFBDHM CSc1ccc(F)cc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821984802 599686947 /nfs/dbraw/zinc/68/69/47/599686947.db2.gz UCAHCLONRYJEPJ-UHFFFAOYSA-N -1 3 361.362 2.643 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820174295 607403546 /nfs/dbraw/zinc/40/35/46/607403546.db2.gz QVYKJDUVRHAWDH-UHFFFAOYSA-N -1 3 374.382 2.876 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000820174295 607403548 /nfs/dbraw/zinc/40/35/48/607403548.db2.gz QVYKJDUVRHAWDH-UHFFFAOYSA-N -1 3 374.382 2.876 20 5 FFBDHM Cc1ccc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1[N+](=O)[O-] ZINC000826281976 607416179 /nfs/dbraw/zinc/41/61/79/607416179.db2.gz RREMTCLBOBXKNS-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1ccc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000826281976 607416181 /nfs/dbraw/zinc/41/61/81/607416181.db2.gz RREMTCLBOBXKNS-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM CCc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825704687 607433420 /nfs/dbraw/zinc/43/34/20/607433420.db2.gz NDMAXTUMRMJPLA-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CCc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825704687 607433422 /nfs/dbraw/zinc/43/34/22/607433422.db2.gz NDMAXTUMRMJPLA-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832973068 601651760 /nfs/dbraw/zinc/65/17/60/601651760.db2.gz UZQCTMFEGQIMTF-UGSOOPFHSA-N -1 3 371.393 2.893 20 5 FFBDHM COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826203936 607559877 /nfs/dbraw/zinc/55/98/77/607559877.db2.gz NGCLFHBCIIPMDV-UHFFFAOYSA-N -1 3 368.353 2.598 20 5 FFBDHM COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826203936 607559879 /nfs/dbraw/zinc/55/98/79/607559879.db2.gz NGCLFHBCIIPMDV-UHFFFAOYSA-N -1 3 368.353 2.598 20 5 FFBDHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820643116 606138860 /nfs/dbraw/zinc/13/88/60/606138860.db2.gz QFLIBLWLSVXZRJ-JSGCOSHPSA-N -1 3 365.397 2.627 20 5 FFBDHM C[C@H]1[C@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820643116 606138862 /nfs/dbraw/zinc/13/88/62/606138862.db2.gz QFLIBLWLSVXZRJ-JSGCOSHPSA-N -1 3 365.397 2.627 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511678 606359338 /nfs/dbraw/zinc/35/93/38/606359338.db2.gz AUDDAUAITSNUCU-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511678 606359340 /nfs/dbraw/zinc/35/93/40/606359340.db2.gz AUDDAUAITSNUCU-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823104205 606496083 /nfs/dbraw/zinc/49/60/83/606496083.db2.gz UPODZFKVHFXQPX-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823104205 606496085 /nfs/dbraw/zinc/49/60/85/606496085.db2.gz UPODZFKVHFXQPX-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=[N+]([O-])c1cc(NC[C@@H](O)c2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000823635481 606645089 /nfs/dbraw/zinc/64/50/89/606645089.db2.gz XQVNWCRXPPAAOH-CQSZACIVSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000823640080 606772267 /nfs/dbraw/zinc/77/22/67/606772267.db2.gz RHDSMEMDNAYQRX-UHFFFAOYSA-N -1 3 350.791 2.780 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000823640080 606772269 /nfs/dbraw/zinc/77/22/69/606772269.db2.gz RHDSMEMDNAYQRX-UHFFFAOYSA-N -1 3 350.791 2.780 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cnc1Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823635488 606787665 /nfs/dbraw/zinc/78/76/65/606787665.db2.gz XVVFMBAFNIDPBT-UHFFFAOYSA-N -1 3 363.131 2.725 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2COc3c2cccc3Cl)c(-c2nnn[n-]2)c1 ZINC000823639984 606878100 /nfs/dbraw/zinc/87/81/00/606878100.db2.gz OIMRSACYMJWJOV-ZDUSSCGKSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2COc3c2cccc3Cl)c(-c2nn[n-]n2)c1 ZINC000823639984 606878101 /nfs/dbraw/zinc/87/81/01/606878101.db2.gz OIMRSACYMJWJOV-ZDUSSCGKSA-N -1 3 358.745 2.974 20 5 FFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820001492 606976742 /nfs/dbraw/zinc/97/67/42/606976742.db2.gz PFHLUUYEUOZALU-UHFFFAOYSA-N -1 3 368.353 2.571 20 5 FFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000820001492 606976744 /nfs/dbraw/zinc/97/67/44/606976744.db2.gz PFHLUUYEUOZALU-UHFFFAOYSA-N -1 3 368.353 2.571 20 5 FFBDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000820004973 606985377 /nfs/dbraw/zinc/98/53/77/606985377.db2.gz GZLYZRTWPIHPRI-UHFFFAOYSA-N -1 3 369.337 2.538 20 5 FFBDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000820004973 606985378 /nfs/dbraw/zinc/98/53/78/606985378.db2.gz GZLYZRTWPIHPRI-UHFFFAOYSA-N -1 3 369.337 2.538 20 5 FFBDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cccc1[N+](=O)[O-] ZINC000822020491 607189969 /nfs/dbraw/zinc/18/99/69/607189969.db2.gz DKSXCBSVZKCXMV-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cccc1[N+](=O)[O-] ZINC000822020491 607189970 /nfs/dbraw/zinc/18/99/70/607189970.db2.gz DKSXCBSVZKCXMV-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1c(F)cc(-c3nnn[n-]3)cc1F)C2 ZINC000826500361 607937738 /nfs/dbraw/zinc/93/77/38/607937738.db2.gz VRNUIELBILFZKN-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC000826500361 607937739 /nfs/dbraw/zinc/93/77/39/607937739.db2.gz VRNUIELBILFZKN-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM Cc1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c([N+](=O)[O-])c1 ZINC000826290185 608052394 /nfs/dbraw/zinc/05/23/94/608052394.db2.gz DWVWOIGRCZIQOY-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c([N+](=O)[O-])c1 ZINC000826290185 608052395 /nfs/dbraw/zinc/05/23/95/608052395.db2.gz DWVWOIGRCZIQOY-KRWDZBQOSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c2cc([N+](=O)[O-])ccc12 ZINC000826334869 608054444 /nfs/dbraw/zinc/05/44/44/608054444.db2.gz MWFKZHXIOAFNSB-UHFFFAOYSA-N -1 3 364.369 2.527 20 5 FFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825972284 608151642 /nfs/dbraw/zinc/15/16/42/608151642.db2.gz ZFQHDIVUEPQVMU-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825972284 608151644 /nfs/dbraw/zinc/15/16/44/608151644.db2.gz ZFQHDIVUEPQVMU-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CC(F)(F)CCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824465273 608160929 /nfs/dbraw/zinc/16/09/29/608160929.db2.gz NQSJPJYYFOLNCJ-UHFFFAOYSA-N -1 3 360.708 2.802 20 5 FFBDHM CC(F)(F)CCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824465273 608160930 /nfs/dbraw/zinc/16/09/30/608160930.db2.gz NQSJPJYYFOLNCJ-UHFFFAOYSA-N -1 3 360.708 2.802 20 5 FFBDHM CC(C)(C)c1nc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000824142415 608229919 /nfs/dbraw/zinc/22/99/19/608229919.db2.gz RYAZMLAJUNGZIS-UHFFFAOYSA-N -1 3 374.430 2.579 20 5 FFBDHM CC(C)(C)c1nc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000824142415 608229921 /nfs/dbraw/zinc/22/99/21/608229921.db2.gz RYAZMLAJUNGZIS-UHFFFAOYSA-N -1 3 374.430 2.579 20 5 FFBDHM CC[C@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000825074863 609172594 /nfs/dbraw/zinc/17/25/94/609172594.db2.gz KLRCGUQDHCKFPG-NSHDSACASA-N -1 3 369.385 2.959 20 5 FFBDHM CC[C@H](C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000825074863 609172595 /nfs/dbraw/zinc/17/25/95/609172595.db2.gz KLRCGUQDHCKFPG-NSHDSACASA-N -1 3 369.385 2.959 20 5 FFBDHM CCC(CC)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000825107513 609322360 /nfs/dbraw/zinc/32/23/60/609322360.db2.gz POUYFFUBAQRSLL-SMDDNHRTSA-N -1 3 361.406 2.566 20 5 FFBDHM CCC(CC)[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000825107513 609322362 /nfs/dbraw/zinc/32/23/62/609322362.db2.gz POUYFFUBAQRSLL-SMDDNHRTSA-N -1 3 361.406 2.566 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCSc3c(F)cccc32)c(-c2nnn[n-]2)c1 ZINC000826500916 609601287 /nfs/dbraw/zinc/60/12/87/609601287.db2.gz RLCRQANCSRNNHL-GFCCVEGCSA-N -1 3 373.373 2.958 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCSc3c(F)cccc32)c(-c2nn[n-]n2)c1 ZINC000826500916 609601289 /nfs/dbraw/zinc/60/12/89/609601289.db2.gz RLCRQANCSRNNHL-GFCCVEGCSA-N -1 3 373.373 2.958 20 5 FFBDHM Cc1sc2ncn([N-]C(=O)c3ccc([N+](=O)[O-])c(C)c3)c(=O)c2c1C ZINC000015539890 727820541 /nfs/dbraw/zinc/82/05/41/727820541.db2.gz HMYABHKGQLPJAT-UHFFFAOYSA-N -1 3 358.379 2.675 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000856748140 730354157 /nfs/dbraw/zinc/35/41/57/730354157.db2.gz XZVDGDUBWJTSFB-MRVPVSSYSA-N -1 3 354.762 2.880 20 5 FFBDHM CC(C)CCSc1ccc(C(=O)[N-]N2CCOC2=O)cc1[N+](=O)[O-] ZINC000862695753 730719193 /nfs/dbraw/zinc/71/91/93/730719193.db2.gz DJHKIYCOMOKSJM-UHFFFAOYSA-N -1 3 353.400 2.830 20 5 FFBDHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000779944117 738500498 /nfs/dbraw/zinc/50/04/98/738500498.db2.gz NGAGWSNHCMURNZ-LBPRGKRZSA-N -1 3 371.415 2.855 20 5 FFBDHM COc1c([O-])ccc(CN2CCO[C@H](c3ccsc3)C2)c1[N+](=O)[O-] ZINC000892142163 734521081 /nfs/dbraw/zinc/52/10/81/734521081.db2.gz YEBLDWDSVUKVLR-AWEZNQCLSA-N -1 3 350.396 2.944 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCN1C1CC1 ZINC000766205921 737207444 /nfs/dbraw/zinc/20/74/44/737207444.db2.gz ATHJAKXEQPTYRY-CYBMUJFWSA-N -1 3 373.862 2.543 20 5 FFBDHM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770483701 737631404 /nfs/dbraw/zinc/63/14/04/737631404.db2.gz FOAJHLVJGDZNIX-UHFFFAOYSA-N -1 3 361.314 2.605 20 5 FFBDHM O=C(COc1ccc2c([O-])coc2c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915662479 737645882 /nfs/dbraw/zinc/64/58/82/737645882.db2.gz FWTRPRYYIWNCCJ-UHFFFAOYSA-N -1 3 362.725 2.841 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCOC2)c(Cl)c1 ZINC000921854936 738056979 /nfs/dbraw/zinc/05/69/79/738056979.db2.gz NXILTJAHWFPYIJ-NHYWBVRUSA-N -1 3 374.846 2.732 20 5 FFBDHM O=C(Nc1cc2c(cc1Cl)OCCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776431478 738193582 /nfs/dbraw/zinc/19/35/82/738193582.db2.gz RMFOLEPHHXYSHV-UHFFFAOYSA-N -1 3 365.729 2.762 20 5 FFBDHM CCCCC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000778029917 738345208 /nfs/dbraw/zinc/34/52/08/738345208.db2.gz ZJDRGVVWRQYOGF-ZDUSSCGKSA-N -1 3 358.341 2.925 20 5 FFBDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000788217887 739219338 /nfs/dbraw/zinc/21/93/38/739219338.db2.gz WDWDCNDPTBHHPT-UHFFFAOYSA-N -1 3 370.770 2.836 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000790829212 739501764 /nfs/dbraw/zinc/50/17/64/739501764.db2.gz UNBSOHLZLFCXOQ-SECBINFHSA-N -1 3 353.227 2.684 20 5 FFBDHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000791012668 739523568 /nfs/dbraw/zinc/52/35/68/739523568.db2.gz QFRLLRJVPDWVBG-UHFFFAOYSA-N -1 3 365.321 2.982 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Br)cn1 ZINC000800929998 740567696 /nfs/dbraw/zinc/56/76/96/740567696.db2.gz AUOVNLFVRMSDAC-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808341889 741216342 /nfs/dbraw/zinc/21/63/42/741216342.db2.gz ICJPXEKISBVSFV-ZUZCIYMTSA-N -1 3 370.814 2.649 20 5 FFBDHM Nc1c(Cl)cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1Cl ZINC000822903416 742800086 /nfs/dbraw/zinc/80/00/86/742800086.db2.gz LBPHYBFLDOUMEI-UHFFFAOYSA-N -1 3 367.156 2.803 20 5 FFBDHM Nc1c(Cl)cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1Cl ZINC000822903416 742800094 /nfs/dbraw/zinc/80/00/94/742800094.db2.gz LBPHYBFLDOUMEI-UHFFFAOYSA-N -1 3 367.156 2.803 20 5 FFBDHM CC(C)n1cnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Br)n1 ZINC000844731045 748085664 /nfs/dbraw/zinc/08/56/64/748085664.db2.gz DXUXMCWNXWVWCV-UHFFFAOYSA-N -1 3 354.164 2.782 20 5 FFBDHM CCO[N-]C(=O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000846086947 748403527 /nfs/dbraw/zinc/40/35/27/748403527.db2.gz BUNZLCSEXLDIDJ-UHFFFAOYSA-N -1 3 353.762 2.666 20 5 FFBDHM CCCCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000847222206 748651787 /nfs/dbraw/zinc/65/17/87/748651787.db2.gz UQCGBEXMCZLUOH-UHFFFAOYSA-N -1 3 358.341 2.925 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSC(F)(F)F)cc1C ZINC000060500237 845423393 /nfs/dbraw/zinc/42/33/93/845423393.db2.gz DOFKXDDIJGLHBN-UHFFFAOYSA-N -1 3 358.363 2.743 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2F)c([N+](=O)[O-])s1 ZINC000601960357 845986162 /nfs/dbraw/zinc/98/61/62/845986162.db2.gz SNNXOKNBZZIYHF-UHFFFAOYSA-N -1 3 373.431 2.966 20 5 FFBDHM COc1ccccc1[C@H]1CN(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])CCO1 ZINC000895851154 971009388 /nfs/dbraw/zinc/00/93/88/971009388.db2.gz NAGAWEIBUSOQAN-QGZVFWFLSA-N -1 3 374.393 2.891 20 5 FFBDHM CCO[C@H]1C[C@](NCc2ccc([N+](=O)[O-])cc2Cl)(C(=O)[O-])C1(C)C ZINC001596837796 985499001 /nfs/dbraw/zinc/49/90/01/985499001.db2.gz KNGIADXWKIPGQQ-BBRMVZONSA-N -1 3 356.806 2.996 20 5 FFBDHM CCO[C@@H]1C[C@](NCc2cc([N+](=O)[O-])ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596839530 985519810 /nfs/dbraw/zinc/51/98/10/985519810.db2.gz UBLGKPUGNYUTKX-CJNGLKHVSA-N -1 3 356.806 2.996 20 5 FFBDHM C[C@@H](OC(=O)c1cncc([O-])c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000731915253 998336815 /nfs/dbraw/zinc/33/68/15/998336815.db2.gz KPTVBZCGXCOZML-SECBINFHSA-N -1 3 356.294 2.663 20 5 FFBDHM O=C([N-]Cc1cc(F)c(Cl)c([N+](=O)[O-])c1)C(F)(F)C1(O)CCCC1 ZINC001169724658 1000072793 /nfs/dbraw/zinc/07/27/93/1000072793.db2.gz DAQIPOLGNOKJJX-UHFFFAOYSA-N -1 3 366.723 2.944 20 5 FFBDHM O=C([O-])[C@@]12CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]1COCC2 ZINC000846287704 1000254643 /nfs/dbraw/zinc/25/46/43/1000254643.db2.gz SHXSLQOXQCNXFZ-NHYWBVRUSA-N -1 3 374.315 2.537 20 5 FFBDHM COc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-] ZINC000792119300 1002911801 /nfs/dbraw/zinc/91/18/01/1002911801.db2.gz MIUHLDFKBULSFI-UHFFFAOYSA-N -1 3 358.266 2.607 20 5 FFBDHM O=C([N-]Cc1ccnc(OC(F)F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000793488837 1003385505 /nfs/dbraw/zinc/38/55/05/1003385505.db2.gz QWOGABCJZMNTBW-UHFFFAOYSA-N -1 3 373.262 2.999 20 5 FFBDHM COC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC001130085023 1003937786 /nfs/dbraw/zinc/93/77/86/1003937786.db2.gz TYDOZUMNOGHRNV-UHFFFAOYSA-N -1 3 370.333 2.851 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])s1 ZINC001195286171 1004933365 /nfs/dbraw/zinc/93/33/65/1004933365.db2.gz JOSSYJMUFDCSFL-SNVBAGLBSA-N -1 3 362.473 2.837 20 5 FFBDHM O=c1cc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001187615888 1006172414 /nfs/dbraw/zinc/17/24/14/1006172414.db2.gz QNBZJZDCFPTFGT-UHFFFAOYSA-N -1 3 355.329 2.689 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC000853644658 1006491865 /nfs/dbraw/zinc/49/18/65/1006491865.db2.gz VLHWSRWJUCIJAL-NEPJUHHUSA-N -1 3 364.402 2.531 20 5 FFBDHM CN(C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001135563652 1007039907 /nfs/dbraw/zinc/03/99/07/1007039907.db2.gz HBOHKCCHVDQECT-OAHLLOKOSA-N -1 3 363.801 2.987 20 5 FFBDHM CC(C)n1cc(C(C)(C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000817511488 1007645389 /nfs/dbraw/zinc/64/53/89/1007645389.db2.gz UBIYKLLCKBVNIO-UHFFFAOYSA-N -1 3 367.356 2.911 20 5 FFBDHM C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183362 1009273243 /nfs/dbraw/zinc/27/32/43/1009273243.db2.gz RLJDCIUUILESJL-SWPVVBRQSA-N -1 3 369.303 2.713 20 5 FFBDHM Cn1c(-c2cc([N+](=O)[O-])c[n-]c2=O)nnc1N1CCC[C@@H]1c1cccs1 ZINC001122912796 1023549416 /nfs/dbraw/zinc/54/94/16/1023549416.db2.gz XSJGYBDODUAJBH-GFCCVEGCSA-N -1 3 372.410 2.894 20 5 FFBDHM CN(C)CCN(CCc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755072605 1023561473 /nfs/dbraw/zinc/56/14/73/1023561473.db2.gz BJNLRNZMYMRUBN-UHFFFAOYSA-N -1 3 357.410 2.547 20 5 FFBDHM COc1ccc(C2=N/C(=C/c3ccc([O-])c(F)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000755375119 1023596547 /nfs/dbraw/zinc/59/65/47/1023596547.db2.gz FFLFGCVJRUXHKG-KPKJPENVSA-N -1 3 358.281 2.793 20 5 FFBDHM COc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1[N+](=O)[O-] ZINC000783349555 1030045422 /nfs/dbraw/zinc/04/54/22/1030045422.db2.gz HJRGAIXKQHYHOP-UHFFFAOYSA-N -1 3 371.305 2.716 20 5 FFBDHM O=[N+]([O-])c1ccc([O-])cc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001225492056 1034278562 /nfs/dbraw/zinc/27/85/62/1034278562.db2.gz VELIDUNONZVJDA-QGZVFWFLSA-N -1 3 358.394 2.970 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3nccc([O-])c3[N+](=O)[O-])[C@H]2C1 ZINC001225664478 1034357398 /nfs/dbraw/zinc/35/73/98/1034357398.db2.gz OXPZSTKUSPRIIJ-GMXVVIOVSA-N -1 3 365.386 2.720 20 5 FFBDHM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663841 1034357617 /nfs/dbraw/zinc/35/76/17/1034357617.db2.gz HSYVTFIXQGHQAF-CMPLNLGQSA-N -1 3 353.375 2.720 20 5 FFBDHM C[C@H](c1ccccc1)N1C[C@H](COc2nccc([O-])c2[N+](=O)[O-])OC1=O ZINC001225664989 1034358910 /nfs/dbraw/zinc/35/89/10/1034358910.db2.gz WCSWRUCPBOSDJR-DGCLKSJQSA-N -1 3 359.338 2.656 20 5 FFBDHM O=c1cc(O[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)[n-]c(C(F)(F)F)c1 ZINC001227582706 1035617598 /nfs/dbraw/zinc/61/75/98/1035617598.db2.gz DCVBYKHSXFEQGE-LBPRGKRZSA-N -1 3 372.255 2.932 20 5 FFBDHM CCOC(=O)C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227692875 1035675747 /nfs/dbraw/zinc/67/57/47/1035675747.db2.gz GVTQNVUKHNIHNQ-CYBMUJFWSA-N -1 3 356.338 2.939 20 5 FFBDHM CCN(CC)C(=O)[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227691901 1035675909 /nfs/dbraw/zinc/67/59/09/1035675909.db2.gz RSSVSTOYFZLCLS-MRXNPFEDSA-N -1 3 369.381 2.855 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3CN(Cc4ccccc4)CCO3)[n-]c2c1 ZINC001227744802 1035711539 /nfs/dbraw/zinc/71/15/39/1035711539.db2.gz JIRQIPNGRMHWDC-INIZCTEOSA-N -1 3 368.393 2.751 20 5 FFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3CN(Cc4ccccc4)CCO3)nc2c1 ZINC001227744802 1035711555 /nfs/dbraw/zinc/71/15/55/1035711555.db2.gz JIRQIPNGRMHWDC-INIZCTEOSA-N -1 3 368.393 2.751 20 5 FFBDHM Cc1cc2[n-]c(OC3CCN(c4ncccn4)CC3)nc2cc1[N+](=O)[O-] ZINC001228673383 1036247594 /nfs/dbraw/zinc/24/75/94/1036247594.db2.gz GNPZNDNLKQDPBI-UHFFFAOYSA-N -1 3 354.370 2.617 20 5 FFBDHM CCOC(=O)[C@@H]1C[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])c2ccccc2O1 ZINC001228689687 1036259329 /nfs/dbraw/zinc/25/93/29/1036259329.db2.gz WNHKNHYFVTYYPV-HIFRSBDPSA-N -1 3 374.349 2.838 20 5 FFBDHM Cc1nc(O[C@@H]2CCCN(Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380077 1036642130 /nfs/dbraw/zinc/64/21/30/1036642130.db2.gz ZEPCNXGEGFSMDG-CYBMUJFWSA-N -1 3 362.361 2.581 20 5 FFBDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001231072238 1037456760 /nfs/dbraw/zinc/45/67/60/1037456760.db2.gz AUXFTJCFZKNBMP-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(-c3cccc(F)c3)o2)c1Br ZINC001254185970 1040604485 /nfs/dbraw/zinc/60/44/85/1040604485.db2.gz YNBRAQANOMYEJL-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(-c3cccc(F)c3)o2)c1Br ZINC001254185970 1040604492 /nfs/dbraw/zinc/60/44/92/1040604492.db2.gz YNBRAQANOMYEJL-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM CCOC(=O)c1noc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])c1C ZINC001538349510 1070415886 /nfs/dbraw/zinc/41/58/86/1070415886.db2.gz VJDBRNNHFIATME-UHFFFAOYSA-N -1 3 351.290 2.768 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)c(F)cc1[N+](=O)[O-] ZINC001309545734 1043430508 /nfs/dbraw/zinc/43/05/08/1043430508.db2.gz CBIWYXGJGIXSQF-HNNXBMFYSA-N -1 3 374.434 2.508 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCCO2)c(Cl)c1 ZINC001309726871 1043498439 /nfs/dbraw/zinc/49/84/39/1043498439.db2.gz UEYHCJYXLBJNPY-HIFRSBDPSA-N -1 3 374.846 2.874 20 5 FFBDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001309918009 1043589652 /nfs/dbraw/zinc/58/96/52/1043589652.db2.gz SADBEJWTFZXVRA-PSASIEDQSA-N -1 3 350.849 2.811 20 5 FFBDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1F ZINC001321223494 1045591295 /nfs/dbraw/zinc/59/12/95/1045591295.db2.gz OMYOJYUJZFWJRJ-UHFFFAOYSA-N -1 3 371.321 2.632 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC001296878636 1050102327 /nfs/dbraw/zinc/10/23/27/1050102327.db2.gz YHCFIQLYKOBEJN-UHFFFAOYSA-N -1 3 369.377 2.740 20 5 FFBDHM O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1cc(F)cc2n[n-]nc21 ZINC001301917912 1051016510 /nfs/dbraw/zinc/01/65/10/1051016510.db2.gz PREBMJNFCMPSOZ-UHFFFAOYSA-N -1 3 367.699 2.728 20 5 FFBDHM Cc1ncc(Br)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC001340693027 1051060526 /nfs/dbraw/zinc/06/05/26/1051060526.db2.gz PWZUTNSDNKZLFP-UHFFFAOYSA-N -1 3 355.123 2.847 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CCc2ccco2)c(F)cc1[N+](=O)[O-] ZINC001309015816 1052539186 /nfs/dbraw/zinc/53/91/86/1052539186.db2.gz JJWBSHKNHNAFHE-LLVKDONJSA-N -1 3 356.375 2.935 20 5 FFBDHM CC(C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001347926757 1054465967 /nfs/dbraw/zinc/46/59/67/1054465967.db2.gz NJSVDLTUGGVPMG-ZDUSSCGKSA-N -1 3 358.341 2.779 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001475188591 1060989132 /nfs/dbraw/zinc/98/91/32/1060989132.db2.gz JFZGQEABBLELCK-NWDGAFQWSA-N -1 3 360.407 2.526 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCC3)c(Br)c1 ZINC001475651953 1061183146 /nfs/dbraw/zinc/18/31/46/1061183146.db2.gz VZOAZSREALQKDR-LLVKDONJSA-N -1 3 361.217 2.578 20 5 FFBDHM COc1ccc(C(=O)C[N-]C(=O)C(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC001471039960 1064535305 /nfs/dbraw/zinc/53/53/05/1064535305.db2.gz MYDIYBZSESCLJN-UHFFFAOYSA-N -1 3 364.304 2.694 20 5 FFBDHM O=c1cc(N2CC[C@H](Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)nc[n-]1 ZINC001472896019 1065170164 /nfs/dbraw/zinc/17/01/64/1065170164.db2.gz QNUBWCMMBJCAQC-JTQLQIEISA-N -1 3 369.303 2.800 20 5 FFBDHM CN(CCOc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001579229880 1078594152 /nfs/dbraw/zinc/59/41/52/1078594152.db2.gz JXFBRMKNNIXWDC-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM CN(CCOc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001579229880 1078594159 /nfs/dbraw/zinc/59/41/59/1078594159.db2.gz JXFBRMKNNIXWDC-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC1CCCC1 ZINC001579433573 1078629407 /nfs/dbraw/zinc/62/94/07/1078629407.db2.gz JXATVSASRZBOOA-GFCCVEGCSA-N -1 3 374.401 2.556 20 5 FFBDHM COC(=O)[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC1CCCC1 ZINC001579433573 1078629412 /nfs/dbraw/zinc/62/94/12/1078629412.db2.gz JXATVSASRZBOOA-GFCCVEGCSA-N -1 3 374.401 2.556 20 5 FFBDHM CO[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCC1 ZINC001579594264 1078647623 /nfs/dbraw/zinc/64/76/23/1078647623.db2.gz JYPPHKINSJQMGH-AWEZNQCLSA-N -1 3 350.354 2.531 20 5 FFBDHM CO[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC001579594264 1078647627 /nfs/dbraw/zinc/64/76/27/1078647627.db2.gz JYPPHKINSJQMGH-AWEZNQCLSA-N -1 3 350.354 2.531 20 5 FFBDHM Cc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001581197510 1078933788 /nfs/dbraw/zinc/93/37/88/1078933788.db2.gz AYIXAOLWZXMXGL-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1ccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001581197510 1078933793 /nfs/dbraw/zinc/93/37/93/1078933793.db2.gz AYIXAOLWZXMXGL-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1-c1nnn[n-]1 ZINC001581200507 1078935348 /nfs/dbraw/zinc/93/53/48/1078935348.db2.gz QDFAGPMPRXXLCM-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1ccc(CNc2ncnc3cccc([N+](=O)[O-])c32)cc1-c1nn[n-]n1 ZINC001581200507 1078935352 /nfs/dbraw/zinc/93/53/52/1078935352.db2.gz QDFAGPMPRXXLCM-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001581213822 1078939767 /nfs/dbraw/zinc/93/97/67/1078939767.db2.gz MEPBJGSBLWVUDY-GFCCVEGCSA-N -1 3 367.365 2.868 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581213822 1078939771 /nfs/dbraw/zinc/93/97/71/1078939771.db2.gz MEPBJGSBLWVUDY-GFCCVEGCSA-N -1 3 367.365 2.868 20 5 FFBDHM O=[N+]([O-])c1cnc2ccccc2c1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001582804560 1079109862 /nfs/dbraw/zinc/10/98/62/1079109862.db2.gz HGCPEMYSRXZGIO-UHFFFAOYSA-N -1 3 359.349 2.843 20 5 FFBDHM O=[N+]([O-])c1cnc2ccccc2c1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001582804560 1079109864 /nfs/dbraw/zinc/10/98/64/1079109864.db2.gz HGCPEMYSRXZGIO-UHFFFAOYSA-N -1 3 359.349 2.843 20 5 FFBDHM CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001561301348 1076358592 /nfs/dbraw/zinc/35/85/92/1076358592.db2.gz TXHRIHALVXPSBR-HNNXBMFYSA-N -1 3 367.402 2.675 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC001561439576 1076376800 /nfs/dbraw/zinc/37/68/00/1076376800.db2.gz FZUFJAFXVCXRAE-QMMMGPOBSA-N -1 3 363.317 2.981 20 5 FFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001561625109 1076399995 /nfs/dbraw/zinc/39/99/95/1076399995.db2.gz JJHVMENUWIYWAZ-UHFFFAOYSA-N -1 3 362.423 2.773 20 5 FFBDHM CC(=O)Nc1ccc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588879019 1080229865 /nfs/dbraw/zinc/22/98/65/1080229865.db2.gz SDSRZSAKVPCOQK-UHFFFAOYSA-N -1 3 357.305 2.616 20 5 FFBDHM CC(=O)Nc1ccc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588879019 1080229867 /nfs/dbraw/zinc/22/98/67/1080229867.db2.gz SDSRZSAKVPCOQK-UHFFFAOYSA-N -1 3 357.305 2.616 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1cccc([N+](=O)[O-])c1C ZINC001588909295 1080258733 /nfs/dbraw/zinc/25/87/33/1080258733.db2.gz CHEQCKGGDUEBMP-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1cccc([N+](=O)[O-])c1C ZINC001588909295 1080258742 /nfs/dbraw/zinc/25/87/42/1080258742.db2.gz CHEQCKGGDUEBMP-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588917182 1080263695 /nfs/dbraw/zinc/26/36/95/1080263695.db2.gz GXLWXJYJHJCRCV-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588917182 1080263701 /nfs/dbraw/zinc/26/37/01/1080263701.db2.gz GXLWXJYJHJCRCV-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC001588943544 1080277727 /nfs/dbraw/zinc/27/77/27/1080277727.db2.gz SINRRKWFQMPWTI-JTQLQIEISA-N -1 3 370.344 2.681 20 5 FFBDHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC001588943544 1080277734 /nfs/dbraw/zinc/27/77/34/1080277734.db2.gz SINRRKWFQMPWTI-JTQLQIEISA-N -1 3 370.344 2.681 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589923083 1080864123 /nfs/dbraw/zinc/86/41/23/1080864123.db2.gz QEIKIFBSWSCOIF-KBVBDRTLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589923083 1080864129 /nfs/dbraw/zinc/86/41/29/1080864129.db2.gz QEIKIFBSWSCOIF-KBVBDRTLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccns1 ZINC001589978446 1080917869 /nfs/dbraw/zinc/91/78/69/1080917869.db2.gz RNBYXKDGUWUEKQ-MRVPVSSYSA-N -1 3 368.382 2.953 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccns1 ZINC001589978446 1080917873 /nfs/dbraw/zinc/91/78/73/1080917873.db2.gz RNBYXKDGUWUEKQ-MRVPVSSYSA-N -1 3 368.382 2.953 20 5 FFBDHM CC1(C)C[C@@H](CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001590079403 1080993615 /nfs/dbraw/zinc/99/36/15/1080993615.db2.gz GWEIVOAFKILYPY-VIFPVBQESA-N -1 3 364.381 2.920 20 5 FFBDHM CC1(C)C[C@@H](CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)O1 ZINC001590079403 1080993620 /nfs/dbraw/zinc/99/36/20/1080993620.db2.gz GWEIVOAFKILYPY-VIFPVBQESA-N -1 3 364.381 2.920 20 5 FFBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017363143 249324905 /nfs/dbraw/zinc/32/49/05/249324905.db2.gz PJYVLFCXGJVSOC-UHFFFAOYSA-N -1 3 355.394 2.695 20 5 FFBDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000093008802 250010560 /nfs/dbraw/zinc/01/05/60/250010560.db2.gz YVQBNYDWCFUVFB-VIFPVBQESA-N -1 3 359.404 2.847 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)c(Cl)c1 ZINC000106891455 250297020 /nfs/dbraw/zinc/29/70/20/250297020.db2.gz KMNCGBLZVOKQAA-LLVKDONJSA-N -1 3 373.862 2.543 20 5 FFBDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000444216936 514157074 /nfs/dbraw/zinc/15/70/74/514157074.db2.gz CWELIGIEOALWHD-RKDXNWHRSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C)C2)c1 ZINC000272437149 252038477 /nfs/dbraw/zinc/03/84/77/252038477.db2.gz HTZMAIPDEWHWAY-MNOVXSKESA-N -1 3 362.835 2.650 20 5 FFBDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)s1 ZINC000272554321 252065865 /nfs/dbraw/zinc/06/58/65/252065865.db2.gz UMGGMLUAWAOZON-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000279252153 256397715 /nfs/dbraw/zinc/39/77/15/256397715.db2.gz VOISHXMGMFIBEF-UHFFFAOYSA-N -1 3 372.381 2.737 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(C)(C)CC1 ZINC000330938813 258174238 /nfs/dbraw/zinc/17/42/38/258174238.db2.gz AQDGESDCOYOXTL-UHFFFAOYSA-N -1 3 370.427 2.629 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccncc1Br ZINC000147739840 508859432 /nfs/dbraw/zinc/85/94/32/508859432.db2.gz OPDZBMYTHISWGC-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM C[C@H]1[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000377347244 512226285 /nfs/dbraw/zinc/22/62/85/512226285.db2.gz QVJKBELFWPQPOR-GUYCJALGSA-N -1 3 355.394 2.693 20 5 FFBDHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000010979889 506761041 /nfs/dbraw/zinc/76/10/41/506761041.db2.gz BWWHJVKPYFDISX-UHFFFAOYSA-N -1 3 357.244 2.889 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067433842 506878753 /nfs/dbraw/zinc/87/87/53/506878753.db2.gz ZXBUUARLNSVVEH-UONOGXRCSA-N -1 3 366.370 2.577 20 5 FFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000055986355 506904421 /nfs/dbraw/zinc/90/44/21/506904421.db2.gz PJOSBFCDMKMBGL-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c(Cl)c1 ZINC000056040948 506915681 /nfs/dbraw/zinc/91/56/81/506915681.db2.gz AKEAPICQLVHYFY-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM CSc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000057022333 507153373 /nfs/dbraw/zinc/15/33/73/507153373.db2.gz FNJSVXLLHDBLAU-UHFFFAOYSA-N -1 3 356.400 2.934 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccc(F)cc2)cc1C ZINC000060496448 507552354 /nfs/dbraw/zinc/55/23/54/507552354.db2.gz RTYCGTUQLJXIBO-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000072718587 507846436 /nfs/dbraw/zinc/84/64/36/507846436.db2.gz JOKAVQACTHHOOQ-LBPRGKRZSA-N -1 3 362.835 2.732 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000111350164 508092471 /nfs/dbraw/zinc/09/24/71/508092471.db2.gz PVUPOKAUDODQMI-CYBMUJFWSA-N -1 3 362.407 2.612 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cs1 ZINC000111363483 508094058 /nfs/dbraw/zinc/09/40/58/508094058.db2.gz XMWZUMNDUGFLAS-VIFPVBQESA-N -1 3 371.440 2.662 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC2CCCC2)c(Cl)c1 ZINC000127208058 508414991 /nfs/dbraw/zinc/41/49/91/508414991.db2.gz JSCRXDAGCAZENC-UHFFFAOYSA-N -1 3 362.835 2.876 20 5 FFBDHM COc1ccc([N-]C(=O)c2cn(Cc3cccc(F)c3)nn2)c([N+](=O)[O-])c1 ZINC000152411263 508441262 /nfs/dbraw/zinc/44/12/62/508441262.db2.gz DADZYPFLKFUKFA-UHFFFAOYSA-N -1 3 371.328 2.635 20 5 FFBDHM CN(C(=O)CSc1n[n-]c(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000117115114 508580226 /nfs/dbraw/zinc/58/02/26/508580226.db2.gz HXEKDRRZXHMTEY-UHFFFAOYSA-N -1 3 370.394 2.530 20 5 FFBDHM O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000128424133 508590431 /nfs/dbraw/zinc/59/04/31/508590431.db2.gz PDWNESIBTXWFBB-CQSZACIVSA-N -1 3 368.349 2.891 20 5 FFBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154026614 508701478 /nfs/dbraw/zinc/70/14/78/508701478.db2.gz VTBMEGKFJFYIHO-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM CCOC(=O)C(C)(C)n1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000154088185 508715088 /nfs/dbraw/zinc/71/50/88/508715088.db2.gz GREKIAVIOCNLIU-UHFFFAOYSA-N -1 3 353.766 2.882 20 5 FFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000154331327 508761987 /nfs/dbraw/zinc/76/19/87/508761987.db2.gz LZZOPAPZDQSAOV-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000119348488 508778365 /nfs/dbraw/zinc/77/83/65/508778365.db2.gz VEXDGKXTVHIYIM-GFCCVEGCSA-N -1 3 369.399 2.638 20 5 FFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000124429456 508829960 /nfs/dbraw/zinc/82/99/60/508829960.db2.gz VKMACZNZQRKLLP-UHFFFAOYSA-N -1 3 350.462 2.574 20 5 FFBDHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000119835416 508872914 /nfs/dbraw/zinc/87/29/14/508872914.db2.gz RKZHZODZKXJRFN-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(C)cc1 ZINC000159677398 508875141 /nfs/dbraw/zinc/87/51/41/508875141.db2.gz QWJJWLXIOQQXJE-CYBMUJFWSA-N -1 3 364.423 2.994 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000125683531 509015811 /nfs/dbraw/zinc/01/58/11/509015811.db2.gz BAJSZHDNDOPVHA-UHFFFAOYSA-N -1 3 365.436 2.967 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000151650742 509059794 /nfs/dbraw/zinc/05/97/94/509059794.db2.gz ZMPULZCDRLCTQJ-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000175890186 509200819 /nfs/dbraw/zinc/20/08/19/509200819.db2.gz KETKHTWPVKYHBV-UHFFFAOYSA-N -1 3 371.440 2.582 20 5 FFBDHM O=C([N-]c1nnc2n1CCCC2)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000162768792 509296911 /nfs/dbraw/zinc/29/69/11/509296911.db2.gz SENGOQJGZVYEEZ-UHFFFAOYSA-N -1 3 355.276 2.794 20 5 FFBDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164416805 509500462 /nfs/dbraw/zinc/50/04/62/509500462.db2.gz JSVGWZPVNPIFNS-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1cccc([O-])c1NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000183019114 509550216 /nfs/dbraw/zinc/55/02/16/509550216.db2.gz JMZHGJLBOQHUFO-UHFFFAOYSA-N -1 3 363.757 2.631 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H]1COc2ccccc21 ZINC000167610811 509636732 /nfs/dbraw/zinc/63/67/32/509636732.db2.gz VMTNCNMXHCPISP-JSGCOSHPSA-N -1 3 362.407 2.746 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000186310054 509637836 /nfs/dbraw/zinc/63/78/36/509637836.db2.gz JVAXVXAVZCJISR-LBPRGKRZSA-N -1 3 370.358 2.691 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000186342213 509658907 /nfs/dbraw/zinc/65/89/07/509658907.db2.gz IAJYHKNTLHYHHM-UHFFFAOYSA-N -1 3 362.407 2.657 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc2ncccc2c1 ZINC000193032283 509744352 /nfs/dbraw/zinc/74/43/52/509744352.db2.gz BKASZQMIGDPXIZ-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000186694881 509858719 /nfs/dbraw/zinc/85/87/19/509858719.db2.gz UFXDLHWKLJDLFJ-MRVPVSSYSA-N -1 3 361.832 2.787 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000190148717 509968504 /nfs/dbraw/zinc/96/85/04/509968504.db2.gz KFCIWMPVAUHDPB-NSHDSACASA-N -1 3 355.441 2.750 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)cc1C ZINC000180600222 510008554 /nfs/dbraw/zinc/00/85/54/510008554.db2.gz UYHWSMZEMZKNDL-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@](C)(O)C1CCCCC1 ZINC000190367214 510089053 /nfs/dbraw/zinc/08/90/53/510089053.db2.gz ONXRAWTWUJLUDS-INIZCTEOSA-N -1 3 356.444 2.513 20 5 FFBDHM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000171342465 510092265 /nfs/dbraw/zinc/09/22/65/510092265.db2.gz PYMXJCRVWILLDT-UHFFFAOYSA-N -1 3 365.349 2.998 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000265696413 510180918 /nfs/dbraw/zinc/18/09/18/510180918.db2.gz BOYLBYVDGKFQFW-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC000178327538 510549212 /nfs/dbraw/zinc/54/92/12/510549212.db2.gz OBUKWCTVVVGTHZ-OAHLLOKOSA-N -1 3 364.423 2.878 20 5 FFBDHM CC(C)c1nc(-c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000188253680 510670335 /nfs/dbraw/zinc/67/03/35/510670335.db2.gz LZFPYZCOSLJCMC-UHFFFAOYSA-N -1 3 368.353 2.856 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1C ZINC000247137226 510842640 /nfs/dbraw/zinc/84/26/40/510842640.db2.gz SBINELZDNKVXBT-USXIJHARSA-N -1 3 358.419 2.828 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)o1 ZINC000292106357 511468068 /nfs/dbraw/zinc/46/80/68/511468068.db2.gz UYYXDUXIKIXFFU-UHFFFAOYSA-N -1 3 371.390 2.770 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)cc1C ZINC000295928421 511558253 /nfs/dbraw/zinc/55/82/53/511558253.db2.gz IGTBZHUUFCSDSR-CQSZACIVSA-N -1 3 352.416 2.610 20 5 FFBDHM Cc1csc(C2([N-]S(=O)(=O)Cc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000273693804 511577488 /nfs/dbraw/zinc/57/74/88/511577488.db2.gz MKNRXUKFSBOTGH-UHFFFAOYSA-N -1 3 367.452 2.859 20 5 FFBDHM CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280897549 511646013 /nfs/dbraw/zinc/64/60/13/511646013.db2.gz DNSFFXUPGKWUFB-INIZCTEOSA-N -1 3 369.421 2.895 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C)CCCCC1 ZINC000327809018 511881751 /nfs/dbraw/zinc/88/17/51/511881751.db2.gz CCTKOLLFXYIEDA-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000366387414 511993529 /nfs/dbraw/zinc/99/35/29/511993529.db2.gz BLXZMVMDBHOTLU-OAHLLOKOSA-N -1 3 355.394 2.647 20 5 FFBDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000293832635 512093917 /nfs/dbraw/zinc/09/39/17/512093917.db2.gz DVQYAPJOFGOWBN-QMMMGPOBSA-N -1 3 365.367 2.880 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000398049524 512953317 /nfs/dbraw/zinc/95/33/17/512953317.db2.gz CRVUMRCUPZTSFS-WMLDXEAASA-N -1 3 369.421 2.941 20 5 FFBDHM CO[C@H](CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417635073 513127183 /nfs/dbraw/zinc/12/71/83/513127183.db2.gz VUZLOADHOHTHSP-QGZVFWFLSA-N -1 3 359.382 2.552 20 5 FFBDHM CCOC[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417645397 513134306 /nfs/dbraw/zinc/13/43/06/513134306.db2.gz DHBJSISRHUPZMI-MRXNPFEDSA-N -1 3 373.409 2.942 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)Cc2ccc(C)cc2F)cc1[N+](=O)[O-] ZINC000446762088 513334009 /nfs/dbraw/zinc/33/40/09/513334009.db2.gz NNGLBXPIENRCHN-UHFFFAOYSA-N -1 3 354.359 2.993 20 5 FFBDHM COC(=O)[C@H]1CCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])s3)nc2C1 ZINC000421632988 513344632 /nfs/dbraw/zinc/34/46/32/513344632.db2.gz TUYPLUVGSQKTHU-ZETCQYMHSA-N -1 3 367.408 2.643 20 5 FFBDHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)OC ZINC000446922509 513361893 /nfs/dbraw/zinc/36/18/93/513361893.db2.gz MQJRNFYIPPAJGP-AWEZNQCLSA-N -1 3 362.423 2.854 20 5 FFBDHM O=C(c1cccc([O-])c1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425013543 513369474 /nfs/dbraw/zinc/36/94/74/513369474.db2.gz RFVXXAHSHLVHIE-DOTOQJQBSA-N -1 3 367.405 2.647 20 5 FFBDHM COCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416484671 513796687 /nfs/dbraw/zinc/79/66/87/513796687.db2.gz VPJSGIUNLXXOPY-UHFFFAOYSA-N -1 3 370.349 2.565 20 5 FFBDHM COCC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416583500 513848370 /nfs/dbraw/zinc/84/83/70/513848370.db2.gz CDQONULSDFMUAF-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451642787 513881854 /nfs/dbraw/zinc/88/18/54/513881854.db2.gz YVPAWGUKTQWPBP-SNVBAGLBSA-N -1 3 370.349 2.707 20 5 FFBDHM COc1ccc(CNC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1[N+](=O)[O-] ZINC000436682867 513942261 /nfs/dbraw/zinc/94/22/61/513942261.db2.gz ROSJBTAGDDCSHC-UHFFFAOYSA-N -1 3 372.377 2.953 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000451815008 513998046 /nfs/dbraw/zinc/99/80/46/513998046.db2.gz GXXLWNJYDMGYSO-DZGCQCFKSA-N -1 3 356.444 2.633 20 5 FFBDHM CO[C@](C)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000451831540 514010614 /nfs/dbraw/zinc/01/06/14/514010614.db2.gz WGPGGJAUOVPISY-QGZVFWFLSA-N -1 3 364.423 2.576 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436876005 514018148 /nfs/dbraw/zinc/01/81/48/514018148.db2.gz ZWDLVRQTOBVESC-RDTXWAMCSA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOc1ccccc1Cl ZINC000443735339 514031632 /nfs/dbraw/zinc/03/16/32/514031632.db2.gz UCTCFMLQRHQFMR-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c([O-])c1 ZINC000436995411 514067838 /nfs/dbraw/zinc/06/78/38/514067838.db2.gz CUWXYMFXXWNRFY-UHFFFAOYSA-N -1 3 361.329 2.507 20 5 FFBDHM COc1cccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1[N+](=O)[O-] ZINC000444301108 514186761 /nfs/dbraw/zinc/18/67/61/514186761.db2.gz CMVUENLUQWLXHS-UHFFFAOYSA-N -1 3 374.303 2.946 20 5 FFBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427910273 514345127 /nfs/dbraw/zinc/34/51/27/514345127.db2.gz AYKCYFISWPXBRS-SFHVURJKSA-N -1 3 355.394 2.867 20 5 FFBDHM COCCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000445170888 514434039 /nfs/dbraw/zinc/43/40/39/514434039.db2.gz DUSSBHSHDQQCGZ-UHFFFAOYSA-N -1 3 367.745 2.626 20 5 FFBDHM CCOc1cccc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000433505928 514505655 /nfs/dbraw/zinc/50/56/55/514505655.db2.gz CUGBPQMGHVLZME-UHFFFAOYSA-N -1 3 364.423 2.823 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445726665 514510710 /nfs/dbraw/zinc/51/07/10/514510710.db2.gz UKFFXVIPZQDFNI-SNVBAGLBSA-N -1 3 370.349 2.859 20 5 FFBDHM Cc1c2ccc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2nn1C ZINC000461342913 514574595 /nfs/dbraw/zinc/57/45/95/514574595.db2.gz VKOWFQQTCUYSAJ-UHFFFAOYSA-N -1 3 374.422 2.774 20 5 FFBDHM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000507881349 514595357 /nfs/dbraw/zinc/59/53/57/514595357.db2.gz UGHIOABRTBIHRE-CQSZACIVSA-N -1 3 362.407 2.959 20 5 FFBDHM COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000508086534 514662299 /nfs/dbraw/zinc/66/22/99/514662299.db2.gz SGBNMEZYEZRSSF-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM CC(C)n1cnc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000480000192 514805100 /nfs/dbraw/zinc/80/51/00/514805100.db2.gz RSILQCCXCNCCJQ-UHFFFAOYSA-N -1 3 372.834 2.547 20 5 FFBDHM COC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000475804191 514817663 /nfs/dbraw/zinc/81/76/63/514817663.db2.gz GTBWZCNZEXMLMX-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000466909436 514821995 /nfs/dbraw/zinc/82/19/95/514821995.db2.gz KALUYUIMBJNRDU-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM CSc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccn1 ZINC000467050940 514877632 /nfs/dbraw/zinc/87/76/32/514877632.db2.gz LQZYISVATROICP-UHFFFAOYSA-N -1 3 359.454 2.560 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000467059610 514881730 /nfs/dbraw/zinc/88/17/30/514881730.db2.gz UMLDPDKMMRJPLL-VXGBXAGGSA-N -1 3 362.473 2.835 20 5 FFBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)c1F ZINC000485146663 514936394 /nfs/dbraw/zinc/93/63/94/514936394.db2.gz KWRQZSPIQZPXDW-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCC2 ZINC000462324288 514994800 /nfs/dbraw/zinc/99/48/00/514994800.db2.gz XBINMMFZQOCXBX-CVEARBPZSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)c([N+](=O)[O-])c1 ZINC000462410355 515039660 /nfs/dbraw/zinc/03/96/60/515039660.db2.gz SDBIQTOVOYZSIU-CYBMUJFWSA-N -1 3 351.428 2.541 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c1[N+](=O)[O-] ZINC000480688623 515044946 /nfs/dbraw/zinc/04/49/46/515044946.db2.gz KQXNFETYFRMLNA-CQSZACIVSA-N -1 3 360.391 2.818 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000480700827 515051684 /nfs/dbraw/zinc/05/16/84/515051684.db2.gz SXAIKJGZARAOSU-ZDUSSCGKSA-N -1 3 366.370 2.763 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467709010 515089178 /nfs/dbraw/zinc/08/91/78/515089178.db2.gz OEMNHPWQRZLQHX-UHFFFAOYSA-N -1 3 358.304 2.866 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000480854572 515111635 /nfs/dbraw/zinc/11/16/35/515111635.db2.gz SWLNJSMWRNRMGI-AWEZNQCLSA-N -1 3 362.473 2.574 20 5 FFBDHM Cc1c(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000480874594 515120882 /nfs/dbraw/zinc/12/08/82/515120882.db2.gz YDDPCAIMNWPNKJ-UHFFFAOYSA-N -1 3 360.313 2.799 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C12CCCC2 ZINC000462677876 515184019 /nfs/dbraw/zinc/18/40/19/515184019.db2.gz MCPUQUDOUFOZOV-HOTGVXAUSA-N -1 3 368.455 2.919 20 5 FFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481043141 515184805 /nfs/dbraw/zinc/18/48/05/515184805.db2.gz DJNAHSOHMBKPJR-UHFFFAOYSA-N -1 3 358.460 2.821 20 5 FFBDHM CSc1nnc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)[n-]1 ZINC000499071751 515188284 /nfs/dbraw/zinc/18/82/84/515188284.db2.gz ABTXEHKERFMCAM-UHFFFAOYSA-N -1 3 365.418 2.633 20 5 FFBDHM CSc1n[n-]c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000499071751 515188289 /nfs/dbraw/zinc/18/82/89/515188289.db2.gz ABTXEHKERFMCAM-UHFFFAOYSA-N -1 3 365.418 2.633 20 5 FFBDHM CSc1nc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n[n-]1 ZINC000499071751 515188298 /nfs/dbraw/zinc/18/82/98/515188298.db2.gz ABTXEHKERFMCAM-UHFFFAOYSA-N -1 3 365.418 2.633 20 5 FFBDHM O=C([N-]c1nnc2ccccn21)c1ccc(Br)cc1[N+](=O)[O-] ZINC000485799535 515193203 /nfs/dbraw/zinc/19/32/03/515193203.db2.gz RGWXRSZFPGUTPQ-UHFFFAOYSA-N -1 3 362.143 2.652 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000462698033 515195688 /nfs/dbraw/zinc/19/56/88/515195688.db2.gz JPSWFASGRMHNQB-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000462700816 515197594 /nfs/dbraw/zinc/19/75/94/515197594.db2.gz NPSPXXUIFIROFP-FRRDWIJNSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)c([N+](=O)[O-])c1 ZINC000462705016 515200859 /nfs/dbraw/zinc/20/08/59/515200859.db2.gz MRTOBVCCIXKTJH-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]C(C)(C)CF)cc1[N+](=O)[O-] ZINC000472928398 515444327 /nfs/dbraw/zinc/44/43/27/515444327.db2.gz GQDMOVSFIFKTFZ-UHFFFAOYSA-N -1 3 369.212 2.692 20 5 FFBDHM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000510586186 515597302 /nfs/dbraw/zinc/59/73/02/515597302.db2.gz ASSGWYVLRPTERK-ZDUSSCGKSA-N -1 3 366.370 2.708 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000477838903 515611843 /nfs/dbraw/zinc/61/18/43/515611843.db2.gz VOXLZVPJTRHLTF-IPYPFGDCSA-N -1 3 361.398 2.559 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])c1 ZINC000463864828 515647440 /nfs/dbraw/zinc/64/74/40/515647440.db2.gz KEIMIMXTOURGIJ-CABCVRRESA-N -1 3 356.444 2.774 20 5 FFBDHM CCc1ccc([C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000469052199 515648135 /nfs/dbraw/zinc/64/81/35/515648135.db2.gz VWJQMCRCJGZPFO-GOSISDBHSA-N -1 3 357.410 2.896 20 5 FFBDHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505759434 515659950 /nfs/dbraw/zinc/65/99/50/515659950.db2.gz ZTZIMMHQKYDILF-SFHVURJKSA-N -1 3 355.394 2.867 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCCC(C)C ZINC000469176152 515705535 /nfs/dbraw/zinc/70/55/35/515705535.db2.gz KREOTLXNTYGJBS-LBPRGKRZSA-N -1 3 372.443 2.875 20 5 FFBDHM O=C(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000464192547 515736675 /nfs/dbraw/zinc/73/66/75/515736675.db2.gz LTOWBAVNKZWQQN-UHFFFAOYSA-N -1 3 368.798 2.551 20 5 FFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(OC)c2[O-])cc1OC ZINC000494128251 515741796 /nfs/dbraw/zinc/74/17/96/515741796.db2.gz QMHKUGGLLPAITD-UHFFFAOYSA-N -1 3 362.338 2.969 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)cc1[N+](=O)[O-] ZINC000511047314 515757468 /nfs/dbraw/zinc/75/74/68/515757468.db2.gz YNAVZRUUZQSMGX-UHFFFAOYSA-N -1 3 372.418 2.990 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000507532725 516234110 /nfs/dbraw/zinc/23/41/10/516234110.db2.gz QJNHMMHWBYYLQO-NSHDSACASA-N -1 3 364.379 2.671 20 5 FFBDHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000512571219 516307615 /nfs/dbraw/zinc/30/76/15/516307615.db2.gz BHIOFZXRDREWMT-UHFFFAOYSA-N -1 3 359.292 2.834 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2CCCCC2)c1 ZINC000517490402 516341282 /nfs/dbraw/zinc/34/12/82/516341282.db2.gz UJMNQYHELJZLAI-UHFFFAOYSA-N -1 3 363.233 2.968 20 5 FFBDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000540213067 516478582 /nfs/dbraw/zinc/47/85/82/516478582.db2.gz IQTIDLJXFYXBHR-NSHDSACASA-N -1 3 365.411 2.600 20 5 FFBDHM CCCCn1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)n1 ZINC000540215252 516479937 /nfs/dbraw/zinc/47/99/37/516479937.db2.gz NQXPLHXCHUXYGW-UHFFFAOYSA-N -1 3 366.443 2.687 20 5 FFBDHM COc1cc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000523774267 516574454 /nfs/dbraw/zinc/57/44/54/516574454.db2.gz AZANFJSIPUOPIO-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000518276983 516598676 /nfs/dbraw/zinc/59/86/76/516598676.db2.gz HFVFHHRBDXSMKF-GFCCVEGCSA-N -1 3 372.443 2.610 20 5 FFBDHM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)nc1C(C)(C)C ZINC000532142937 516823189 /nfs/dbraw/zinc/82/31/89/516823189.db2.gz MBZUDMVHWQEXFD-UHFFFAOYSA-N -1 3 364.383 2.783 20 5 FFBDHM CC(=O)Nc1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc2c1 ZINC000532146679 516825397 /nfs/dbraw/zinc/82/53/97/516825397.db2.gz VZGKMPOJKNIVIX-UHFFFAOYSA-N -1 3 357.351 2.810 20 5 FFBDHM Cc1ncc(Cl)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC000525133992 516928854 /nfs/dbraw/zinc/92/88/54/516928854.db2.gz BPZUVESKHSMQQI-UHFFFAOYSA-N -1 3 364.745 2.760 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1F ZINC000541310023 516980161 /nfs/dbraw/zinc/98/01/61/516980161.db2.gz LKEHCMSHDUTXMK-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552197570 517134803 /nfs/dbraw/zinc/13/48/03/517134803.db2.gz SKFQMOPCTZCIDT-LLVKDONJSA-N -1 3 370.394 2.890 20 5 FFBDHM CN(C)[C@@H]1CCOc2c(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cccc21 ZINC000552215362 517145894 /nfs/dbraw/zinc/14/58/94/517145894.db2.gz UPUQYXDLXDEIKO-OAHLLOKOSA-N -1 3 357.366 2.938 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1F ZINC000515521775 517391459 /nfs/dbraw/zinc/39/14/59/517391459.db2.gz VJNIYQFGRKPKIK-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)cc1C ZINC000546173942 517581618 /nfs/dbraw/zinc/58/16/18/517581618.db2.gz ZSQYTBXBSXEGOE-AWEZNQCLSA-N -1 3 360.391 2.818 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000516573333 517750399 /nfs/dbraw/zinc/75/03/99/517750399.db2.gz WFGNNGGCUUMFCD-OCCSQVGLSA-N -1 3 356.382 2.935 20 5 FFBDHM CN(C)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000542807053 517754520 /nfs/dbraw/zinc/75/45/20/517754520.db2.gz INOGYJQJGKYLBX-MRXNPFEDSA-N -1 3 363.801 2.987 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000546777918 517853122 /nfs/dbraw/zinc/85/31/22/517853122.db2.gz SHODUTQGJMYQDC-UHFFFAOYSA-N -1 3 364.423 2.872 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1[N-]c1cc(C2CC2)n(C)n1 ZINC000516823781 517857866 /nfs/dbraw/zinc/85/78/66/517857866.db2.gz CECBASWCONSBHQ-UHFFFAOYSA-N -1 3 350.762 2.811 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000539004263 517881866 /nfs/dbraw/zinc/88/18/66/517881866.db2.gz VDJLYSVFCCNHGR-UHFFFAOYSA-N -1 3 363.326 2.583 20 5 FFBDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000546880351 517903052 /nfs/dbraw/zinc/90/30/52/517903052.db2.gz PVLCGTJSTZZLJH-UHFFFAOYSA-N -1 3 365.411 2.646 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cn1 ZINC000581316236 518227287 /nfs/dbraw/zinc/22/72/87/518227287.db2.gz NJTLGSYNYKDLJP-QMMMGPOBSA-N -1 3 359.766 2.822 20 5 FFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])C1CCOCC1 ZINC000567384516 518499148 /nfs/dbraw/zinc/49/91/48/518499148.db2.gz JCYCIVNBPLHOAG-UHFFFAOYSA-N -1 3 366.414 2.838 20 5 FFBDHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000588100255 518724630 /nfs/dbraw/zinc/72/46/30/518724630.db2.gz VGGSBHRYWKEJBF-UHFFFAOYSA-N -1 3 364.741 2.922 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000576758589 518748194 /nfs/dbraw/zinc/74/81/94/518748194.db2.gz YMSFSYCMRYWGIS-IUODEOHRSA-N -1 3 356.382 2.935 20 5 FFBDHM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN(C2CC2)C1 ZINC000573686395 518787004 /nfs/dbraw/zinc/78/70/04/518787004.db2.gz LWLKPPVTUOQJLF-JTQLQIEISA-N -1 3 353.806 2.510 20 5 FFBDHM O=C([O-])[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000574697123 519285822 /nfs/dbraw/zinc/28/58/22/519285822.db2.gz KUUQHEFBCROFKM-HZPDHXFCSA-N 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O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c2ncccc12 ZINC000592062525 520161644 /nfs/dbraw/zinc/16/16/44/520161644.db2.gz KKBIAKKYZWAZLW-GHMZBOCLSA-N -1 3 353.375 2.702 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)CC(F)F ZINC000592067144 520162663 /nfs/dbraw/zinc/16/26/63/520162663.db2.gz OFPXWVLVADNJIU-VIFPVBQESA-N -1 3 359.354 2.713 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc(C)cc(C)c1 ZINC000594840178 520182505 /nfs/dbraw/zinc/18/25/05/520182505.db2.gz YBIHMWJMPHMTPH-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000594851104 520187971 /nfs/dbraw/zinc/18/79/71/520187971.db2.gz XPTVRBFVUKEGPC-UHFFFAOYSA-N -1 3 370.452 2.898 20 5 FFBDHM COc1cc(CNCC2(C(=O)OC(C)(C)C)CCC2)c([N+](=O)[O-])cc1[O-] ZINC000594995637 520248188 /nfs/dbraw/zinc/24/81/88/520248188.db2.gz RLEXGKDOUUJNFA-UHFFFAOYSA-N -1 3 366.414 2.911 20 5 FFBDHM CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609418676 520306543 /nfs/dbraw/zinc/30/65/43/520306543.db2.gz JJMSEHXIGYFSDQ-UHFFFAOYSA-N -1 3 351.222 2.682 20 5 FFBDHM COc1ccc(OCCN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000600673544 520390491 /nfs/dbraw/zinc/39/04/91/520390491.db2.gz FIZCZTVLFWQXJT-CLLJXQQHSA-N -1 3 352.387 2.556 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2=CCCC2)c(Br)c1 ZINC000595361307 520429001 /nfs/dbraw/zinc/42/90/01/520429001.db2.gz RCBPLQJNOSOKCW-UHFFFAOYSA-N -1 3 361.217 2.746 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC000609802114 520438556 /nfs/dbraw/zinc/43/85/56/520438556.db2.gz LAZWLFVKZATBIL-LBPRGKRZSA-N -1 3 366.420 2.729 20 5 FFBDHM CCOc1ccc(C(=O)[N-]c2sccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000609832270 520447806 /nfs/dbraw/zinc/44/78/06/520447806.db2.gz QAQWBBPTUXCZJN-UHFFFAOYSA-N -1 3 370.408 2.711 20 5 FFBDHM CC(C)(C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000592980467 520668933 /nfs/dbraw/zinc/66/89/33/520668933.db2.gz ICEAFOIESLQJED-UHFFFAOYSA-N -1 3 370.409 2.642 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598613935 520743645 /nfs/dbraw/zinc/74/36/45/520743645.db2.gz ZWGBWKYVTNJWJE-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1C ZINC000610800334 520849478 /nfs/dbraw/zinc/84/94/78/520849478.db2.gz PFGUEWJQGPTVQZ-APHBMKBZSA-N -1 3 368.455 2.694 20 5 FFBDHM CC(C)(C)n1nnc(C(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1 ZINC000598828813 520864415 /nfs/dbraw/zinc/86/44/15/520864415.db2.gz REOJZYZKLBURTM-UHFFFAOYSA-N -1 3 358.280 2.607 20 5 FFBDHM COc1ccc(C(=O)C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596065397 520890636 /nfs/dbraw/zinc/89/06/36/520890636.db2.gz FUDDTQRKZZODDH-UHFFFAOYSA-N -1 3 357.366 2.803 20 5 FFBDHM O=C(CCC1CCCCC1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596081688 520901343 /nfs/dbraw/zinc/90/13/43/520901343.db2.gz CCFJQMHAZZXKKR-UHFFFAOYSA-N -1 3 362.430 2.705 20 5 FFBDHM O=C1C[C@]2(CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599140613 521051944 /nfs/dbraw/zinc/05/19/44/521051944.db2.gz WSJGDEMDFYUXTK-SFHVURJKSA-N -1 3 355.350 2.700 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)nc1 ZINC000593570476 521083296 /nfs/dbraw/zinc/08/32/96/521083296.db2.gz YRBWDIGEZGBQSN-UHFFFAOYSA-N -1 3 367.814 2.653 20 5 FFBDHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611314193 521093768 /nfs/dbraw/zinc/09/37/68/521093768.db2.gz YSOKVORPUYTEBM-UHFFFAOYSA-N -1 3 362.835 2.610 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC=CC2)c(Br)c1 ZINC000599390069 521194240 /nfs/dbraw/zinc/19/42/40/521194240.db2.gz HYSOAMIYCGNYGK-UHFFFAOYSA-N -1 3 361.217 2.602 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[n-]1 ZINC000619447932 521574036 /nfs/dbraw/zinc/57/40/36/521574036.db2.gz VTBRTHHGQHHMNJ-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c[n-]1 ZINC000619447932 521574042 /nfs/dbraw/zinc/57/40/42/521574042.db2.gz VTBRTHHGQHHMNJ-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1ccccn1 ZINC000619482083 521591149 /nfs/dbraw/zinc/59/11/49/521591149.db2.gz NMGONOBVCUPPQF-ZDUSSCGKSA-N -1 3 365.411 2.818 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000619494165 521596213 /nfs/dbraw/zinc/59/62/13/521596213.db2.gz DQTQEGDVIJNQNR-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM COc1cc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1C ZINC000737045993 599044746 /nfs/dbraw/zinc/04/47/46/599044746.db2.gz XHFIADYEPUGENN-UHFFFAOYSA-N -1 3 354.370 2.747 20 5 FFBDHM COc1cc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1C ZINC000737045993 599044749 /nfs/dbraw/zinc/04/47/49/599044749.db2.gz XHFIADYEPUGENN-UHFFFAOYSA-N -1 3 354.370 2.747 20 5 FFBDHM CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1 ZINC000819817757 599084541 /nfs/dbraw/zinc/08/45/41/599084541.db2.gz LUCGIQHBSGKWJS-UHFFFAOYSA-N -1 3 358.289 2.665 20 5 FFBDHM CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1 ZINC000819817757 599084543 /nfs/dbraw/zinc/08/45/43/599084543.db2.gz LUCGIQHBSGKWJS-UHFFFAOYSA-N -1 3 358.289 2.665 20 5 FFBDHM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCCC2 ZINC000821360034 599100919 /nfs/dbraw/zinc/10/09/19/599100919.db2.gz PTLCMGVODOLYLV-HUUCEWRRSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCCC2 ZINC000821360034 599100921 /nfs/dbraw/zinc/10/09/21/599100921.db2.gz PTLCMGVODOLYLV-HUUCEWRRSA-N -1 3 358.402 2.925 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2cccc(C(F)(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000823652289 599152878 /nfs/dbraw/zinc/15/28/78/599152878.db2.gz YXLRATDBDBSYIX-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2cccc(C(F)(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000823652289 599152881 /nfs/dbraw/zinc/15/28/81/599152881.db2.gz YXLRATDBDBSYIX-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737955972 599163282 /nfs/dbraw/zinc/16/32/82/599163282.db2.gz QKELKFRVSQPHHS-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000737955972 599163283 /nfs/dbraw/zinc/16/32/83/599163283.db2.gz QKELKFRVSQPHHS-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2cccc3c2OCCCO3)c(-c2nnn[n-]2)c1 ZINC000823639806 607306444 /nfs/dbraw/zinc/30/64/44/607306444.db2.gz HJXLNMVZANHHSU-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2cccc3c2OCCCO3)c(-c2nn[n-]n2)c1 ZINC000823639806 607306445 /nfs/dbraw/zinc/30/64/45/607306445.db2.gz HJXLNMVZANHHSU-UHFFFAOYSA-N -1 3 368.353 2.548 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370602 598364187 /nfs/dbraw/zinc/36/41/87/598364187.db2.gz WMRRAAWRPRRRKB-CQSZACIVSA-N -1 3 365.397 2.629 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC[C@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370602 598364189 /nfs/dbraw/zinc/36/41/89/598364189.db2.gz WMRRAAWRPRRRKB-CQSZACIVSA-N -1 3 365.397 2.629 20 5 FFBDHM COc1ccccc1C[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737152141 599324407 /nfs/dbraw/zinc/32/44/07/599324407.db2.gz HUDOWUXZSDFQPP-GFCCVEGCSA-N -1 3 368.397 2.851 20 5 FFBDHM COc1ccccc1C[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737152141 599324409 /nfs/dbraw/zinc/32/44/09/599324409.db2.gz HUDOWUXZSDFQPP-GFCCVEGCSA-N -1 3 368.397 2.851 20 5 FFBDHM CC[C@@H](C[C@@H](C)CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820882361 599360195 /nfs/dbraw/zinc/36/01/95/599360195.db2.gz PQUYYFMENFTKLG-MNOVXSKESA-N -1 3 371.401 2.532 20 5 FFBDHM CC[C@@H](C[C@@H](C)CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820882361 599360197 /nfs/dbraw/zinc/36/01/97/599360197.db2.gz PQUYYFMENFTKLG-MNOVXSKESA-N -1 3 371.401 2.532 20 5 FFBDHM COc1ccc(COc2c(C)cc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000821824166 599386506 /nfs/dbraw/zinc/38/65/06/599386506.db2.gz IZEFMACCTJMVRL-UHFFFAOYSA-N -1 3 355.354 2.979 20 5 FFBDHM CCc1ccc(OCc2cc(-c3nnn[n-]3)ccc2OC)c([N+](=O)[O-])c1 ZINC000821487096 607378398 /nfs/dbraw/zinc/37/83/98/607378398.db2.gz QQKMCVGTAQEBGQ-UHFFFAOYSA-N -1 3 355.354 2.925 20 5 FFBDHM CCc1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)c([N+](=O)[O-])c1 ZINC000821487096 607378400 /nfs/dbraw/zinc/37/84/00/607378400.db2.gz QQKMCVGTAQEBGQ-UHFFFAOYSA-N -1 3 355.354 2.925 20 5 FFBDHM CC(C)(C)OCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819949872 599505055 /nfs/dbraw/zinc/50/50/55/599505055.db2.gz ANKJJOSYNOSQND-UHFFFAOYSA-N -1 3 357.374 2.550 20 5 FFBDHM CC(C)(C)OCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819949872 599505060 /nfs/dbraw/zinc/50/50/60/599505060.db2.gz ANKJJOSYNOSQND-UHFFFAOYSA-N -1 3 357.374 2.550 20 5 FFBDHM CC(C)OCCCN(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820142036 599568494 /nfs/dbraw/zinc/56/84/94/599568494.db2.gz DQLUFLZJCGVSSG-UHFFFAOYSA-N -1 3 371.401 2.574 20 5 FFBDHM CC(C)OCCCN(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820142036 599568496 /nfs/dbraw/zinc/56/84/96/599568496.db2.gz DQLUFLZJCGVSSG-UHFFFAOYSA-N -1 3 371.401 2.574 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821882652 599586053 /nfs/dbraw/zinc/58/60/53/599586053.db2.gz GTIXHRZASWQIBZ-WMZOPIPTSA-N -1 3 366.381 2.926 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821882652 599586054 /nfs/dbraw/zinc/58/60/54/599586054.db2.gz GTIXHRZASWQIBZ-WMZOPIPTSA-N -1 3 366.381 2.926 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(Cc3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823651814 607386408 /nfs/dbraw/zinc/38/64/08/607386408.db2.gz RKKCFLWAKPHVPW-UHFFFAOYSA-N -1 3 351.370 2.605 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(Cc3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823651814 607386410 /nfs/dbraw/zinc/38/64/10/607386410.db2.gz RKKCFLWAKPHVPW-UHFFFAOYSA-N -1 3 351.370 2.605 20 5 FFBDHM O=C([O-])CC1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCCC1 ZINC000833205392 601554474 /nfs/dbraw/zinc/55/44/74/601554474.db2.gz CIUVEYQBEXLESJ-UHFFFAOYSA-N -1 3 360.370 2.912 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000826450245 607523402 /nfs/dbraw/zinc/52/34/02/607523402.db2.gz CYMOIGXCUBREHW-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000826450245 607523404 /nfs/dbraw/zinc/52/34/04/607523404.db2.gz CYMOIGXCUBREHW-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM O=C(CCc1ccco1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826408929 607525277 /nfs/dbraw/zinc/52/52/77/607525277.db2.gz AHVQWQMBPORMGN-UHFFFAOYSA-N -1 3 362.733 2.593 20 5 FFBDHM O=C(CCc1ccco1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826408929 607525279 /nfs/dbraw/zinc/52/52/79/607525279.db2.gz AHVQWQMBPORMGN-UHFFFAOYSA-N -1 3 362.733 2.593 20 5 FFBDHM COc1ccc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826207623 607539086 /nfs/dbraw/zinc/53/90/86/607539086.db2.gz VUDOHIWMXQJWEK-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM COc1ccc(COc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826207623 607539087 /nfs/dbraw/zinc/53/90/87/607539087.db2.gz VUDOHIWMXQJWEK-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826475333 607614368 /nfs/dbraw/zinc/61/43/68/607614368.db2.gz CFHYNZQTHJFDND-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826475333 607614369 /nfs/dbraw/zinc/61/43/69/607614369.db2.gz CFHYNZQTHJFDND-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM C[C@]1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833570894 604813396 /nfs/dbraw/zinc/81/33/96/604813396.db2.gz VGDIGTLPVHQHDB-DYVFJYSZSA-N -1 3 360.370 2.768 20 5 FFBDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834103433 606031606 /nfs/dbraw/zinc/03/16/06/606031606.db2.gz BFNHPNKKTRUKGS-BRWVUGGUSA-N -1 3 363.414 2.625 20 5 FFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000820280288 606138005 /nfs/dbraw/zinc/13/80/05/606138005.db2.gz CWFGWZRUKLVQBQ-VIFPVBQESA-N -1 3 366.341 2.527 20 5 FFBDHM C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000820280288 606138006 /nfs/dbraw/zinc/13/80/06/606138006.db2.gz CWFGWZRUKLVQBQ-VIFPVBQESA-N -1 3 366.341 2.527 20 5 FFBDHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000823070512 606329826 /nfs/dbraw/zinc/32/98/26/606329826.db2.gz BPDKDFFFZGDEOY-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000823070512 606329828 /nfs/dbraw/zinc/32/98/28/606329828.db2.gz BPDKDFFFZGDEOY-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820122103 606496890 /nfs/dbraw/zinc/49/68/90/606496890.db2.gz ZYSKQWPIADDGKS-UHFFFAOYSA-N -1 3 372.410 2.887 20 5 FFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820122103 606496891 /nfs/dbraw/zinc/49/68/91/606496891.db2.gz ZYSKQWPIADDGKS-UHFFFAOYSA-N -1 3 372.410 2.887 20 5 FFBDHM CC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820915218 606588398 /nfs/dbraw/zinc/58/83/98/606588398.db2.gz UGYSXFLYJGNSRA-INIZCTEOSA-N -1 3 366.381 2.585 20 5 FFBDHM CC[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820915218 606588400 /nfs/dbraw/zinc/58/84/00/606588400.db2.gz UGYSXFLYJGNSRA-INIZCTEOSA-N -1 3 366.381 2.585 20 5 FFBDHM CN(CCCNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000821600568 606645029 /nfs/dbraw/zinc/64/50/29/606645029.db2.gz SQOYTVJOJJQTPC-UHFFFAOYSA-N -1 3 353.386 2.713 20 5 FFBDHM CNC(=O)c1ccc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821634925 606789902 /nfs/dbraw/zinc/78/99/02/606789902.db2.gz BCFQFCKGBYOPSM-UHFFFAOYSA-N -1 3 374.744 2.580 20 5 FFBDHM CNC(=O)c1ccc(Oc2cc(Cl)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821634925 606789904 /nfs/dbraw/zinc/78/99/04/606789904.db2.gz BCFQFCKGBYOPSM-UHFFFAOYSA-N -1 3 374.744 2.580 20 5 FFBDHM COc1cccc2c1CC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821877597 607119463 /nfs/dbraw/zinc/11/94/63/607119463.db2.gz NCXDVUVSWPTHFM-AWEZNQCLSA-N -1 3 352.354 2.883 20 5 FFBDHM COc1cccc2c1CC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821877597 607119465 /nfs/dbraw/zinc/11/94/65/607119465.db2.gz NCXDVUVSWPTHFM-AWEZNQCLSA-N -1 3 352.354 2.883 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823111845 607189498 /nfs/dbraw/zinc/18/94/98/607189498.db2.gz PIHFSYLSIFCKIU-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823111845 607189499 /nfs/dbraw/zinc/18/94/99/607189499.db2.gz PIHFSYLSIFCKIU-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1cccc(Cl)c1 ZINC000826497741 607873547 /nfs/dbraw/zinc/87/35/47/607873547.db2.gz SQXUDQGOQWKVCN-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1cccc(Cl)c1 ZINC000826497741 607873548 /nfs/dbraw/zinc/87/35/48/607873548.db2.gz SQXUDQGOQWKVCN-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(Cl)cc1 ZINC000826497699 608220461 /nfs/dbraw/zinc/22/04/61/608220461.db2.gz QNKIQDDMEOZOKR-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(Cl)cc1 ZINC000826497699 608220463 /nfs/dbraw/zinc/22/04/63/608220463.db2.gz QNKIQDDMEOZOKR-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1ccc(Cl)cc1 ZINC000826499808 608220498 /nfs/dbraw/zinc/22/04/98/608220498.db2.gz YKLFYMSGCAVTLD-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1ccc(Cl)cc1 ZINC000826499808 608220500 /nfs/dbraw/zinc/22/05/00/608220500.db2.gz YKLFYMSGCAVTLD-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM CS[C@H](C)CCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826225697 608342416 /nfs/dbraw/zinc/34/24/16/608342416.db2.gz IOFFPXDBLBYMQU-SSDOTTSWSA-N -1 3 370.822 2.899 20 5 FFBDHM CS[C@H](C)CCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826225697 608342418 /nfs/dbraw/zinc/34/24/18/608342418.db2.gz IOFFPXDBLBYMQU-SSDOTTSWSA-N -1 3 370.822 2.899 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826246547 608433893 /nfs/dbraw/zinc/43/38/93/608433893.db2.gz GNSQTYITKOKSBG-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826246547 608433894 /nfs/dbraw/zinc/43/38/94/608433894.db2.gz GNSQTYITKOKSBG-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1c(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000826241512 608495827 /nfs/dbraw/zinc/49/58/27/608495827.db2.gz GHDVTPDKQQUWTD-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1c(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000826241512 608495830 /nfs/dbraw/zinc/49/58/30/608495830.db2.gz GHDVTPDKQQUWTD-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM CCC(CC)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000825107512 609322337 /nfs/dbraw/zinc/32/23/37/609322337.db2.gz POUYFFUBAQRSLL-RISCZKNCSA-N -1 3 361.406 2.566 20 5 FFBDHM CCC(CC)[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000825107512 609322339 /nfs/dbraw/zinc/32/23/39/609322339.db2.gz POUYFFUBAQRSLL-RISCZKNCSA-N -1 3 361.406 2.566 20 5 FFBDHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824906443 609576058 /nfs/dbraw/zinc/57/60/58/609576058.db2.gz BPICNZUWMMISET-PSASIEDQSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824906443 609576061 /nfs/dbraw/zinc/57/60/61/609576061.db2.gz BPICNZUWMMISET-PSASIEDQSA-N -1 3 356.308 2.942 20 5 FFBDHM COc1ccc2c(c1)CC[C@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC000826212656 609590333 /nfs/dbraw/zinc/59/03/33/609590333.db2.gz XAORBJLXKQUSAU-AWEZNQCLSA-N -1 3 366.381 2.753 20 5 FFBDHM COc1ccc2c(c1)CC[C@H](Nc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC000826212656 609590337 /nfs/dbraw/zinc/59/03/37/609590337.db2.gz XAORBJLXKQUSAU-AWEZNQCLSA-N -1 3 366.381 2.753 20 5 FFBDHM CC(C)CCc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000125545675 728684860 /nfs/dbraw/zinc/68/48/60/728684860.db2.gz DTKPIMYDQXENQZ-UHFFFAOYSA-N -1 3 364.427 2.884 20 5 FFBDHM COCC(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872547602 731789435 /nfs/dbraw/zinc/78/94/35/731789435.db2.gz JIPYPMYLAWRBNY-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM COc1c([O-])ccc(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000895468781 735011267 /nfs/dbraw/zinc/01/12/67/735011267.db2.gz MYRWZCDKVKIDNR-KOLCDFICSA-N -1 3 364.320 2.851 20 5 FFBDHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000742330546 735228980 /nfs/dbraw/zinc/22/89/80/735228980.db2.gz VZCCEXSPHRUOTD-NXEZZACHSA-N -1 3 350.849 2.811 20 5 FFBDHM NC(=O)c1ccc(COC(=O)c2cc(F)cc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC000748476169 735648525 /nfs/dbraw/zinc/64/85/25/735648525.db2.gz OLCJUAMAEBCEAZ-UHFFFAOYSA-N -1 3 368.704 2.549 20 5 FFBDHM O=C([O-])[C@@H](CC(F)F)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000901811812 735843227 /nfs/dbraw/zinc/84/32/27/735843227.db2.gz IFERDFRHNSUFTF-ZCFIWIBFSA-N -1 3 359.148 2.617 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2(C3CC3)CC2)c1 ZINC000760634637 736656639 /nfs/dbraw/zinc/65/66/39/736656639.db2.gz JNOJLHOVLQDNFP-UHFFFAOYSA-N -1 3 361.217 2.578 20 5 FFBDHM CN(C)C(=O)Sc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776646144 738218660 /nfs/dbraw/zinc/21/86/60/738218660.db2.gz UVQPLRUVNLDCDY-UHFFFAOYSA-N -1 3 362.367 2.721 20 5 FFBDHM CCc1ccnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000797844098 740279976 /nfs/dbraw/zinc/27/99/76/740279976.db2.gz HBHFTJYNIAQATC-UHFFFAOYSA-N -1 3 369.830 2.993 20 5 FFBDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800052382 740479227 /nfs/dbraw/zinc/47/92/27/740479227.db2.gz UDJZJDDZNFFRDU-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1sccc1-c1nnn[n-]1 ZINC000826420878 743385333 /nfs/dbraw/zinc/38/53/33/743385333.db2.gz HFFWTGGTAOFZBO-UHFFFAOYSA-N -1 3 362.396 2.567 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1sccc1-c1nn[n-]n1 ZINC000826420878 743385342 /nfs/dbraw/zinc/38/53/42/743385342.db2.gz HFFWTGGTAOFZBO-UHFFFAOYSA-N -1 3 362.396 2.567 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)co1 ZINC000832477952 745705277 /nfs/dbraw/zinc/70/52/77/745705277.db2.gz GJUKUCGVEYWUDZ-UHFFFAOYSA-N -1 3 359.791 2.586 20 5 FFBDHM CCn1ccnc1[C@@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848592739 748969107 /nfs/dbraw/zinc/96/91/07/748969107.db2.gz ZIPPXJHIYPVNPG-SNVBAGLBSA-N -1 3 354.313 2.660 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000056088576 845348494 /nfs/dbraw/zinc/34/84/94/845348494.db2.gz PFWYVJGCQGRBRD-UHFFFAOYSA-N -1 3 371.758 2.635 20 5 FFBDHM CC(=CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823943703 946525823 /nfs/dbraw/zinc/52/58/23/946525823.db2.gz REVZDFHXHJNMGD-KHPPLWFESA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823943703 946525833 /nfs/dbraw/zinc/52/58/33/946525833.db2.gz REVZDFHXHJNMGD-KHPPLWFESA-N -1 3 350.338 2.817 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3cc(F)ccc32)c(-c2nnn[n-]2)c1 ZINC000826500694 948416006 /nfs/dbraw/zinc/41/60/06/948416006.db2.gz IGBLUHUFKFVFTO-AWEZNQCLSA-N -1 3 355.333 2.799 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCCc3cc(F)ccc32)c(-c2nn[n-]n2)c1 ZINC000826500694 948416010 /nfs/dbraw/zinc/41/60/10/948416010.db2.gz IGBLUHUFKFVFTO-AWEZNQCLSA-N -1 3 355.333 2.799 20 5 FFBDHM O=C([O-])CC1(NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCCCC1 ZINC001606084927 973244656 /nfs/dbraw/zinc/24/46/56/973244656.db2.gz QUMZLJPPHIDMQO-UHFFFAOYSA-N -1 3 360.370 2.912 20 5 FFBDHM C[C@H](CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1)C(=O)[O-] ZINC001592609536 978554927 /nfs/dbraw/zinc/55/49/27/978554927.db2.gz BSUKUBURKKDPGS-SECBINFHSA-N -1 3 352.778 2.741 20 5 FFBDHM CCO[C@@H]1C[C@](NCc2ccc([N+](=O)[O-])cc2Cl)(C(=O)[O-])C1(C)C ZINC001596837798 985499160 /nfs/dbraw/zinc/49/91/60/985499160.db2.gz KNGIADXWKIPGQQ-CJNGLKHVSA-N -1 3 356.806 2.996 20 5 FFBDHM O=C(COC(=O)c1cc2ccsc2[n-]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000914890473 988030398 /nfs/dbraw/zinc/03/03/98/988030398.db2.gz GRZVOXOXYQEAIG-UHFFFAOYSA-N -1 3 371.374 2.884 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001137280799 1016082812 /nfs/dbraw/zinc/08/28/12/1016082812.db2.gz WJIVWOFAJFNTIU-UHFFFAOYSA-N -1 3 367.361 2.623 20 5 FFBDHM COc1cc(CN(C)C(C)(C)CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC001599405926 997299662 /nfs/dbraw/zinc/29/96/62/997299662.db2.gz NUGZSZQYRXKMMM-UHFFFAOYSA-N -1 3 362.329 2.890 20 5 FFBDHM CN(C)Cc1ccccc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001144213758 998144703 /nfs/dbraw/zinc/14/47/03/998144703.db2.gz COXLQFSOOMWKGH-UHFFFAOYSA-N -1 3 363.801 2.945 20 5 FFBDHM O=C([O-])[C@]12CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]1COCC2 ZINC000846287705 1000254103 /nfs/dbraw/zinc/25/41/03/1000254103.db2.gz SHXSLQOXQCNXFZ-XHDPSFHLSA-N -1 3 374.315 2.537 20 5 FFBDHM Nc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cc1[N+](=O)[O-] ZINC000792484291 1003016203 /nfs/dbraw/zinc/01/62/03/1003016203.db2.gz BPHLGWOQRVWRKS-UHFFFAOYSA-N -1 3 364.321 2.961 20 5 FFBDHM Nc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cc1[N+](=O)[O-] ZINC000792484291 1003016217 /nfs/dbraw/zinc/01/62/17/1003016217.db2.gz BPHLGWOQRVWRKS-UHFFFAOYSA-N -1 3 364.321 2.961 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCSC2)c(Cl)c1 ZINC001193629450 1004529877 /nfs/dbraw/zinc/52/98/77/1004529877.db2.gz WNRKRVFQQGBQTO-SECBINFHSA-N -1 3 350.849 2.670 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncc(Cl)s2)c(Cl)c1 ZINC001194401659 1004723446 /nfs/dbraw/zinc/72/34/46/1004723446.db2.gz WHRSFIORVKQNFD-UHFFFAOYSA-N -1 3 368.223 2.837 20 5 FFBDHM Nc1ccc(I)c(Nc2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001199802512 1005032008 /nfs/dbraw/zinc/03/20/08/1005032008.db2.gz TVZKYTJUOSVZLY-UHFFFAOYSA-N -1 3 372.122 2.626 20 5 FFBDHM O=C(c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1)N1CCC(=O)CC1 ZINC001201231468 1005180828 /nfs/dbraw/zinc/18/08/28/1005180828.db2.gz JFLJETUXABMTIX-UHFFFAOYSA-N -1 3 355.350 2.849 20 5 FFBDHM COc1ccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001202425009 1005348321 /nfs/dbraw/zinc/34/83/21/1005348321.db2.gz LHCQTQJKKFVJLB-LURJTMIESA-N -1 3 374.279 2.623 20 5 FFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc2nn[n-]c21 ZINC000800208112 1007203479 /nfs/dbraw/zinc/20/34/79/1007203479.db2.gz CRIDDARXNIFAAJ-UHFFFAOYSA-N -1 3 365.305 2.878 20 5 FFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc2[n-]nnc21 ZINC000800208112 1007203487 /nfs/dbraw/zinc/20/34/87/1007203487.db2.gz CRIDDARXNIFAAJ-UHFFFAOYSA-N -1 3 365.305 2.878 20 5 FFBDHM O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cccc2n[n-]nc21 ZINC000800208112 1007203496 /nfs/dbraw/zinc/20/34/96/1007203496.db2.gz CRIDDARXNIFAAJ-UHFFFAOYSA-N -1 3 365.305 2.878 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(=O)c2ccc([O-])cc2)c1F ZINC001173180822 1012323640 /nfs/dbraw/zinc/32/36/40/1012323640.db2.gz UCIYUGGEOBLVKY-LLVKDONJSA-N -1 3 362.357 2.852 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001120934378 1023532394 /nfs/dbraw/zinc/53/23/94/1023532394.db2.gz DQOQXSSGRMRTHQ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM COc1cc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC001157524152 1029606862 /nfs/dbraw/zinc/60/68/62/1029606862.db2.gz KMPLQZHHLOGPRU-LLVKDONJSA-N -1 3 360.366 2.851 20 5 FFBDHM COC(=O)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)cc1[O-] ZINC000783923415 1030341797 /nfs/dbraw/zinc/34/17/97/1030341797.db2.gz KINRSRRVBCREHT-UHFFFAOYSA-N -1 3 364.285 2.975 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661102 1034355060 /nfs/dbraw/zinc/35/50/60/1034355060.db2.gz JCNBIXUNCSLADC-JQWIXIFHSA-N -1 3 371.365 2.812 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3nccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC001225664480 1034357820 /nfs/dbraw/zinc/35/78/20/1034357820.db2.gz OXPZSTKUSPRIIJ-LOWVWBTDSA-N -1 3 365.386 2.720 20 5 FFBDHM O=C(c1ccc(F)cc1)N1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225665395 1034359583 /nfs/dbraw/zinc/35/95/83/1034359583.db2.gz YUPUYWJQOOZOPC-UHFFFAOYSA-N -1 3 361.329 2.518 20 5 FFBDHM O=c1nc2cnncc2c(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)[n-]1 ZINC001226693175 1034791222 /nfs/dbraw/zinc/79/12/22/1034791222.db2.gz SNYZDHCKIRNDET-NSHDSACASA-N -1 3 367.243 2.716 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2csc3ccccc23)nc1 ZINC001208403596 1038287432 /nfs/dbraw/zinc/28/74/32/1038287432.db2.gz DUVMURVIFBWRET-UHFFFAOYSA-N -1 3 363.420 2.726 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C)c(F)cc1[N+](=O)[O-] ZINC001209891112 1039278020 /nfs/dbraw/zinc/27/80/20/1039278020.db2.gz OCGDHGLUWILHDU-HNNXBMFYSA-N -1 3 362.423 2.508 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)c(F)cc1[N+](=O)[O-] ZINC001213384968 1040499225 /nfs/dbraw/zinc/49/92/25/1040499225.db2.gz KVIOBHORRMDMGC-CMPLNLGQSA-N -1 3 356.400 2.938 20 5 FFBDHM O=C([N-]c1noc2c1CCCC2)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001539741996 1070690676 /nfs/dbraw/zinc/69/06/76/1070690676.db2.gz FXHIHFOQTZSXHH-UHFFFAOYSA-N -1 3 359.338 2.875 20 5 FFBDHM O=C1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1c1ccc(Cl)c(F)c1 ZINC001307072890 1052246437 /nfs/dbraw/zinc/24/64/37/1052246437.db2.gz NSNXBEHRGPBKMC-MRVPVSSYSA-N -1 3 366.736 2.705 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC001309312183 1052597223 /nfs/dbraw/zinc/59/72/23/1052597223.db2.gz LHWAMDZIYPKZSF-GFCCVEGCSA-N -1 3 372.418 2.812 20 5 FFBDHM O=C1Nc2ccccc2[C@H]1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001350454138 1055782284 /nfs/dbraw/zinc/78/22/84/1055782284.db2.gz DDPUOMDETCDQBR-OAHLLOKOSA-N -1 3 354.366 2.648 20 5 FFBDHM CCn1cc(Br)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC001355003737 1059757549 /nfs/dbraw/zinc/75/75/49/1059757549.db2.gz JSOAXWLVSUMKKS-UHFFFAOYSA-N -1 3 357.139 2.965 20 5 FFBDHM O=c1cc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)nc(C2CCC2)[n-]1 ZINC001458515282 1060609498 /nfs/dbraw/zinc/60/94/98/1060609498.db2.gz MQHULDNCWBNNDA-UHFFFAOYSA-N -1 3 369.381 2.855 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001463994539 1062371336 /nfs/dbraw/zinc/37/13/36/1062371336.db2.gz KBUJGHMUOOIHOV-XHDPSFHLSA-N -1 3 370.452 2.539 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)s1 ZINC001525032361 1063108911 /nfs/dbraw/zinc/10/89/11/1063108911.db2.gz ULWYCIVUVIELBM-UHFFFAOYSA-N -1 3 364.335 2.732 20 5 FFBDHM COC(=O)C=Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001472878447 1065165915 /nfs/dbraw/zinc/16/59/15/1065165915.db2.gz OLBMBWUACSXALW-CLTKARDFSA-N -1 3 370.365 2.766 20 5 FFBDHM CCOC(=O)C1(CC(F)F)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001472901064 1065171625 /nfs/dbraw/zinc/17/16/25/1065171625.db2.gz XJTILVGBYKQISK-UHFFFAOYSA-N -1 3 359.329 2.500 20 5 FFBDHM COc1cc(CNc2cc(CSCCO)ccn2)c([N+](=O)[O-])cc1[O-] ZINC001474103425 1065457139 /nfs/dbraw/zinc/45/71/39/1065457139.db2.gz ZAQOVSONHNPSSU-UHFFFAOYSA-N -1 3 365.411 2.542 20 5 FFBDHM COc1c([O-])ccc(CNc2cccc([C@@]3(C)COC(=O)N3)c2)c1[N+](=O)[O-] ZINC001474686597 1065581019 /nfs/dbraw/zinc/58/10/19/1065581019.db2.gz AOWYNRLZOULEDU-GOSISDBHSA-N -1 3 373.365 2.876 20 5 FFBDHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1(C)C ZINC001475014457 1065672537 /nfs/dbraw/zinc/67/25/37/1065672537.db2.gz MIDMRFLJYJPQBT-HIFRSBDPSA-N -1 3 360.407 2.524 20 5 FFBDHM Cc1cc(F)cc2c1CN(c1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC2 ZINC001580937965 1078896256 /nfs/dbraw/zinc/89/62/56/1078896256.db2.gz PSQMEGCEFBMKFH-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1cc(F)cc2c1CN(c1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001580937965 1078896264 /nfs/dbraw/zinc/89/62/64/1078896264.db2.gz PSQMEGCEFBMKFH-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001580985093 1078904089 /nfs/dbraw/zinc/90/40/89/1078904089.db2.gz MRHMLVYQODQTNA-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001580985093 1078904094 /nfs/dbraw/zinc/90/40/94/1078904094.db2.gz MRHMLVYQODQTNA-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cn1c2ccccc2nc1SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581753219 1078998931 /nfs/dbraw/zinc/99/89/31/1078998931.db2.gz SPQMNZZDYHHATP-UHFFFAOYSA-N -1 3 367.394 2.954 20 5 FFBDHM Cn1c2ccccc2nc1SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581753219 1078998938 /nfs/dbraw/zinc/99/89/38/1078998938.db2.gz SPQMNZZDYHHATP-UHFFFAOYSA-N -1 3 367.394 2.954 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccc3occc3c2)c1-c1nnn[n-]1 ZINC001581909577 1079013694 /nfs/dbraw/zinc/01/36/94/1079013694.db2.gz KXCVVEFUHNVAGF-UHFFFAOYSA-N -1 3 351.326 2.715 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCc2ccc3occc3c2)c1-c1nn[n-]n1 ZINC001581909577 1079013703 /nfs/dbraw/zinc/01/37/03/1079013703.db2.gz KXCVVEFUHNVAGF-UHFFFAOYSA-N -1 3 351.326 2.715 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3Cc4cccc(-c5nnn[n-]5)c4C3)sc2c1 ZINC001582804354 1079110253 /nfs/dbraw/zinc/11/02/53/1079110253.db2.gz RDOSQNRNQOVUDT-UHFFFAOYSA-N -1 3 365.378 2.905 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3Cc4cccc(-c5nn[n-]n5)c4C3)sc2c1 ZINC001582804354 1079110257 /nfs/dbraw/zinc/11/02/57/1079110257.db2.gz RDOSQNRNQOVUDT-UHFFFAOYSA-N -1 3 365.378 2.905 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001583348178 1079196992 /nfs/dbraw/zinc/19/69/92/1079196992.db2.gz AFDFGAJBWQUOQG-GFCCVEGCSA-N -1 3 358.398 2.951 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001556922504 1075789095 /nfs/dbraw/zinc/78/90/95/1075789095.db2.gz HQWYOSMNNDIHRW-UHFFFAOYSA-N -1 3 372.772 2.533 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001556922504 1075789100 /nfs/dbraw/zinc/78/91/00/1075789100.db2.gz HQWYOSMNNDIHRW-UHFFFAOYSA-N -1 3 372.772 2.533 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c([O-])c(OC)c1 ZINC001558677052 1076052680 /nfs/dbraw/zinc/05/26/80/1076052680.db2.gz AVPCXSGUROLSHP-UHFFFAOYSA-N -1 3 360.322 2.656 20 5 FFBDHM CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001561301349 1076358557 /nfs/dbraw/zinc/35/85/57/1076358557.db2.gz TXHRIHALVXPSBR-OAHLLOKOSA-N -1 3 367.402 2.675 20 5 FFBDHM CC(=O)Nc1ccc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001588879355 1080230459 /nfs/dbraw/zinc/23/04/59/1080230459.db2.gz YMORTUPITFXCAT-UHFFFAOYSA-N -1 3 354.326 2.834 20 5 FFBDHM CC(=O)Nc1ccc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001588879355 1080230465 /nfs/dbraw/zinc/23/04/65/1080230465.db2.gz YMORTUPITFXCAT-UHFFFAOYSA-N -1 3 354.326 2.834 20 5 FFBDHM CC(C)(C)Oc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cn1 ZINC001589201016 1080414404 /nfs/dbraw/zinc/41/44/04/1080414404.db2.gz CLHKTUXCDIYVEX-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cn1 ZINC001589201016 1080414409 /nfs/dbraw/zinc/41/44/09/1080414409.db2.gz CLHKTUXCDIYVEX-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589664439 1080657380 /nfs/dbraw/zinc/65/73/80/1080657380.db2.gz CHSOQMQIPHMOTO-UHFFFAOYSA-N -1 3 353.386 2.981 20 5 FFBDHM CC(C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589664439 1080657383 /nfs/dbraw/zinc/65/73/83/1080657383.db2.gz CHSOQMQIPHMOTO-UHFFFAOYSA-N -1 3 353.386 2.981 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589945373 1080889704 /nfs/dbraw/zinc/88/97/04/1080889704.db2.gz UAQNNIWAXLCECO-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589945373 1080889715 /nfs/dbraw/zinc/88/97/15/1080889715.db2.gz UAQNNIWAXLCECO-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001590008602 1080935479 /nfs/dbraw/zinc/93/54/79/1080935479.db2.gz JUVNYDOSJRYGJQ-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001590008602 1080935483 /nfs/dbraw/zinc/93/54/83/1080935483.db2.gz JUVNYDOSJRYGJQ-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001590033056 1080958504 /nfs/dbraw/zinc/95/85/04/1080958504.db2.gz MHOPUPMGPDYMEY-SNVBAGLBSA-N -1 3 371.378 2.861 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001590033056 1080958511 /nfs/dbraw/zinc/95/85/11/1080958511.db2.gz MHOPUPMGPDYMEY-SNVBAGLBSA-N -1 3 371.378 2.861 20 5 FFBDHM C[C@@]1(c2ccccc2)CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCO1 ZINC001590154458 1081055396 /nfs/dbraw/zinc/05/53/96/1081055396.db2.gz YUDUHZBNXMLOQN-SFHVURJKSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590214432 1081098608 /nfs/dbraw/zinc/09/86/08/1081098608.db2.gz PUGWTCQYADWSPJ-GXFFZTMASA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590214432 1081098616 /nfs/dbraw/zinc/09/86/16/1081098616.db2.gz PUGWTCQYADWSPJ-GXFFZTMASA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590224780 1081105765 /nfs/dbraw/zinc/10/57/65/1081105765.db2.gz YLGFOKIZLHBBMU-JXJLXUTGSA-N -1 3 357.370 2.500 20 5 FFBDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590224780 1081105769 /nfs/dbraw/zinc/10/57/69/1081105769.db2.gz YLGFOKIZLHBBMU-JXJLXUTGSA-N -1 3 357.370 2.500 20 5 FFBDHM CC(C)OC(=O)c1ccc(Cl)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000272538363 252063679 /nfs/dbraw/zinc/06/36/79/252063679.db2.gz RJQDONRNCVCBCE-UHFFFAOYSA-N -1 3 366.761 2.799 20 5 FFBDHM Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C1)CCCC2 ZINC000275766262 256046215 /nfs/dbraw/zinc/04/62/15/256046215.db2.gz VMEHYXPQNJUKHE-CQSZACIVSA-N -1 3 370.409 2.771 20 5 FFBDHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000277326521 256185513 /nfs/dbraw/zinc/18/55/13/256185513.db2.gz OEBNHZKDYVMBHQ-KRWDZBQOSA-N -1 3 373.409 2.884 20 5 FFBDHM COCCCO[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000288280268 257169618 /nfs/dbraw/zinc/16/96/18/257169618.db2.gz UZSPMVTXXVKGGD-UHFFFAOYSA-N -1 3 367.583 2.709 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)cc1C ZINC000288340982 257177272 /nfs/dbraw/zinc/17/72/72/257177272.db2.gz IASMNNUWUZFVKU-UHFFFAOYSA-N -1 3 365.411 2.557 20 5 FFBDHM O=C(NCCCNc1ncc([N+](=O)[O-])cc1Cl)c1cccc([O-])c1 ZINC000301290435 258040156 /nfs/dbraw/zinc/04/01/56/258040156.db2.gz TXSDVTYUANRXEE-UHFFFAOYSA-N -1 3 350.762 2.581 20 5 FFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCS1 ZINC000126194500 509070755 /nfs/dbraw/zinc/07/07/55/509070755.db2.gz IRWSFBNBLGXOHE-LBPRGKRZSA-N -1 3 350.849 2.812 20 5 FFBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000066106266 506424561 /nfs/dbraw/zinc/42/45/61/506424561.db2.gz KQDNUAZLTJQPCO-UHFFFAOYSA-N -1 3 373.431 2.800 20 5 FFBDHM CCN(CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000015364891 507036258 /nfs/dbraw/zinc/03/62/58/507036258.db2.gz BDAJMSGYWKWQOZ-UHFFFAOYSA-N -1 3 363.439 2.790 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccccc1-n1ccnc1 ZINC000057021008 507151698 /nfs/dbraw/zinc/15/16/98/507151698.db2.gz REHRMUYZXSJONH-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000023390783 507351149 /nfs/dbraw/zinc/35/11/49/507351149.db2.gz CUDSXKGUQVBWCX-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000024259566 507400487 /nfs/dbraw/zinc/40/04/87/507400487.db2.gz JOLQEVWLLWCOMZ-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccccc2C1 ZINC000029911577 507795684 /nfs/dbraw/zinc/79/56/84/507795684.db2.gz YQBAOHGBLMWIHR-QGZVFWFLSA-N -1 3 369.421 2.867 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCc1ccccc1 ZINC000030493808 507809277 /nfs/dbraw/zinc/80/92/77/507809277.db2.gz CTJFXYOJFQLQCF-CYBMUJFWSA-N -1 3 364.423 2.903 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c(F)c1 ZINC000079269575 507949367 /nfs/dbraw/zinc/94/93/67/507949367.db2.gz ALGOKKHSCQMHSL-UHFFFAOYSA-N -1 3 350.327 2.959 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000080616087 508088617 /nfs/dbraw/zinc/08/86/17/508088617.db2.gz RAEACRGMWUBPRQ-LBPRGKRZSA-N -1 3 350.824 2.588 20 5 FFBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000093931809 508161720 /nfs/dbraw/zinc/16/17/20/508161720.db2.gz ARAZANUCJNRAMM-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000134646820 508554819 /nfs/dbraw/zinc/55/48/19/508554819.db2.gz CVUBWDHZDGOIAL-ZDUSSCGKSA-N -1 3 354.428 2.673 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1noc(-c2ccccc2)n1 ZINC000128316650 508576640 /nfs/dbraw/zinc/57/66/40/508576640.db2.gz GBZIAZMYSWQXMN-NSHDSACASA-N -1 3 374.378 2.684 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000123448676 508688182 /nfs/dbraw/zinc/68/81/82/508688182.db2.gz OGPDLFXCQSEASS-UHFFFAOYSA-N -1 3 362.835 2.612 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000158701938 508741476 /nfs/dbraw/zinc/74/14/76/508741476.db2.gz UCQVOQQPZUPQJD-QMMMGPOBSA-N -1 3 373.818 2.935 20 5 FFBDHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000124155207 508789957 /nfs/dbraw/zinc/78/99/57/508789957.db2.gz UEVXKCAOULRYEK-NSHDSACASA-N -1 3 364.851 2.571 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOCc1ccc(Cl)cc1 ZINC000154595054 508815975 /nfs/dbraw/zinc/81/59/75/508815975.db2.gz MDNYVBQNDVXBJP-UHFFFAOYSA-N -1 3 370.814 2.743 20 5 FFBDHM Cn1ccnc1-c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n[n-]1 ZINC000119693249 508845761 /nfs/dbraw/zinc/84/57/61/508845761.db2.gz MLGAPEBIJBMZKA-UHFFFAOYSA-N -1 3 367.369 2.545 20 5 FFBDHM Cn1ccnc1-c1cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[n-]n1 ZINC000119693249 508845763 /nfs/dbraw/zinc/84/57/63/508845763.db2.gz MLGAPEBIJBMZKA-UHFFFAOYSA-N -1 3 367.369 2.545 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1c(C)noc1C ZINC000125773291 509027908 /nfs/dbraw/zinc/02/79/08/509027908.db2.gz STWQWJQXHILPRX-JTQLQIEISA-N -1 3 359.429 2.999 20 5 FFBDHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000126719720 509117966 /nfs/dbraw/zinc/11/79/66/509117966.db2.gz GIIZVBLKLUEVRD-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccccc1 ZINC000121089340 509125500 /nfs/dbraw/zinc/12/55/00/509125500.db2.gz WUVQSVNEKLEUFG-MRXNPFEDSA-N -1 3 364.423 2.878 20 5 FFBDHM COc1ccc(NC(=O)Cn2cc([N-]c3ncc([N+](=O)[O-])s3)cn2)cc1 ZINC000195511853 509204501 /nfs/dbraw/zinc/20/45/01/509204501.db2.gz NQZZXVXFPDZJFR-UHFFFAOYSA-N -1 3 374.382 2.639 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000162819054 509307607 /nfs/dbraw/zinc/30/76/07/509307607.db2.gz CAILFFXRYWQODQ-FZMZJTMJSA-N -1 3 374.846 2.793 20 5 FFBDHM Cc1nccn1CCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173312729 509524096 /nfs/dbraw/zinc/52/40/96/509524096.db2.gz JHDPWSSIPKWHAY-UHFFFAOYSA-N -1 3 372.834 2.512 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1COc2ccccc21 ZINC000167508560 509633143 /nfs/dbraw/zinc/63/31/43/509633143.db2.gz CQHQGEIEYKXPFT-MFKMUULPSA-N -1 3 366.370 2.577 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)N(C)C ZINC000192865730 509676985 /nfs/dbraw/zinc/67/69/85/509676985.db2.gz FYYQEGNUTUDYII-ABAIWWIYSA-N -1 3 369.468 2.626 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000180174224 509793607 /nfs/dbraw/zinc/79/36/07/509793607.db2.gz WERCRGHPAXPYQN-UHFFFAOYSA-N -1 3 362.835 2.652 20 5 FFBDHM CCOCCCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183516674 509836251 /nfs/dbraw/zinc/83/62/51/509836251.db2.gz XNDQWMCCEDINID-UHFFFAOYSA-N -1 3 350.824 2.652 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000190148697 509968556 /nfs/dbraw/zinc/96/85/56/509968556.db2.gz KFCIWMPVAUHDPB-LLVKDONJSA-N -1 3 355.441 2.750 20 5 FFBDHM Cn1ccnc1-c1cccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000180808201 510121393 /nfs/dbraw/zinc/12/13/93/510121393.db2.gz IPCUWMKBPAJINX-UHFFFAOYSA-N -1 3 372.406 2.937 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccccc1Cl ZINC000193984969 510162077 /nfs/dbraw/zinc/16/20/77/510162077.db2.gz FFSYFXBUPFYDFK-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000265717464 510193412 /nfs/dbraw/zinc/19/34/12/510193412.db2.gz KSWVMDBHDAEUSJ-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCOc2c(F)cccc21 ZINC000190721307 510308040 /nfs/dbraw/zinc/30/80/40/510308040.db2.gz KDPGVLIOHRAMPR-LBPRGKRZSA-N -1 3 352.343 2.536 20 5 FFBDHM COc1cc(F)c([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1OC ZINC000269394940 510381920 /nfs/dbraw/zinc/38/19/20/510381920.db2.gz MSFWHLGJDULCFS-UHFFFAOYSA-N -1 3 352.322 2.850 20 5 FFBDHM Cc1cc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc(C)c1O ZINC000191068293 510488920 /nfs/dbraw/zinc/48/89/20/510488920.db2.gz OOOBZFSPWVBQBU-UHFFFAOYSA-N -1 3 364.423 2.747 20 5 FFBDHM COc1ccc2c(c1)[nH]nc2NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000194788878 510526947 /nfs/dbraw/zinc/52/69/47/510526947.db2.gz NEPVKUNOWRDVPE-UHFFFAOYSA-N -1 3 352.310 2.608 20 5 FFBDHM Cc1ccc(-n2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn2)c(C)c1 ZINC000191401115 510642621 /nfs/dbraw/zinc/64/26/21/510642621.db2.gz ZDQPMOXKRUKYNA-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM CC[C@H](C(=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000191416942 510648824 /nfs/dbraw/zinc/64/88/24/510648824.db2.gz NQUPERGAXVSKKM-GFCCVEGCSA-N -1 3 361.320 2.599 20 5 FFBDHM COc1cc(CN(C)CC(=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000263398861 510691628 /nfs/dbraw/zinc/69/16/28/510691628.db2.gz HMQOCQBGACLKAZ-UHFFFAOYSA-N -1 3 360.366 2.699 20 5 FFBDHM O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188368728 510733917 /nfs/dbraw/zinc/73/39/17/510733917.db2.gz OPELVFPZRGAJKZ-UHFFFAOYSA-N -1 3 366.337 2.610 20 5 FFBDHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000188407017 510752363 /nfs/dbraw/zinc/75/23/63/510752363.db2.gz IYKRAMDQVFUFQZ-LLVKDONJSA-N -1 3 354.409 2.767 20 5 FFBDHM CCOC(=O)c1cc(F)c(F)cc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000191635426 510763766 /nfs/dbraw/zinc/76/37/66/510763766.db2.gz RMXNEHUHVBQYMC-UHFFFAOYSA-N -1 3 368.296 2.518 20 5 FFBDHM C[C@@H]1[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291938649 511398822 /nfs/dbraw/zinc/39/88/22/511398822.db2.gz UEVLNQCSIFQCIF-CZUORRHYSA-N -1 3 355.394 2.693 20 5 FFBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000302968866 511721411 /nfs/dbraw/zinc/72/14/11/511721411.db2.gz HXERPBCZMAQJET-CQSZACIVSA-N -1 3 367.427 2.549 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000323604771 511830563 /nfs/dbraw/zinc/83/05/63/511830563.db2.gz IZFAKPJZHOLYPV-AWEZNQCLSA-N -1 3 370.409 2.646 20 5 FFBDHM CN(C)CCOc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350659042 511858719 /nfs/dbraw/zinc/85/87/19/511858719.db2.gz PIVAVVTWFSPUAC-UHFFFAOYSA-N -1 3 370.365 2.958 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC(C)(C)C1 ZINC000327935924 511882698 /nfs/dbraw/zinc/88/26/98/511882698.db2.gz HEJOCUFFWQTLBY-LLVKDONJSA-N -1 3 370.427 2.629 20 5 FFBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000372247744 512779623 /nfs/dbraw/zinc/77/96/23/512779623.db2.gz OFROKVSLKVITDM-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C ZINC000386274996 512889015 /nfs/dbraw/zinc/88/90/15/512889015.db2.gz PRJAONNXFWNKKG-NSHDSACASA-N -1 3 372.443 2.875 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000389803783 512902062 /nfs/dbraw/zinc/90/20/62/512902062.db2.gz UIPZXLIYCHKAIB-WFASDCNBSA-N -1 3 356.382 2.620 20 5 FFBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000392816770 512928565 /nfs/dbraw/zinc/92/85/65/512928565.db2.gz YWAIUUQCWGQVLO-SMDDNHRTSA-N -1 3 370.427 2.629 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000434783525 513429003 /nfs/dbraw/zinc/42/90/03/513429003.db2.gz KYSTYZYLBVDRRA-UHFFFAOYSA-N -1 3 358.391 2.744 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451332410 513682350 /nfs/dbraw/zinc/68/23/50/513682350.db2.gz VXHSZJLBQLWCFU-GFCCVEGCSA-N -1 3 370.287 2.862 20 5 FFBDHM CCCc1[nH]nc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)c1[N+](=O)[O-] ZINC000448537372 513775301 /nfs/dbraw/zinc/77/53/01/513775301.db2.gz HUTBUFNRNMQTHK-UHFFFAOYSA-N -1 3 359.317 2.739 20 5 FFBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000416486705 513798220 /nfs/dbraw/zinc/79/82/20/513798220.db2.gz GYFYVVWRNAOLHJ-SNVBAGLBSA-N -1 3 370.349 2.707 20 5 FFBDHM CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC ZINC000416492764 513800798 /nfs/dbraw/zinc/80/07/98/513800798.db2.gz FDNIBDPYJYCEHL-GFCCVEGCSA-N -1 3 370.349 2.707 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc3c(s2)CCC3)c([N+](=O)[O-])c1 ZINC000416528570 513818963 /nfs/dbraw/zinc/81/89/63/513818963.db2.gz BMQGMWKPRVRUDU-JTQLQIEISA-N -1 3 367.452 2.888 20 5 FFBDHM CO[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000416579808 513846409 /nfs/dbraw/zinc/84/64/09/513846409.db2.gz OWVRRXPZLJEHKM-DOMZBBRYSA-N -1 3 368.436 2.555 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000416663233 513895875 /nfs/dbraw/zinc/89/58/75/513895875.db2.gz RJEDFYIGHUIUOL-LBPRGKRZSA-N -1 3 362.473 2.574 20 5 FFBDHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443237845 513909037 /nfs/dbraw/zinc/90/90/37/513909037.db2.gz DPJCGOLHPPKQIK-CQSZACIVSA-N -1 3 364.851 2.714 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2CCC(CSC)CC2)c([N+](=O)[O-])c1 ZINC000451702183 513923221 /nfs/dbraw/zinc/92/32/21/513923221.db2.gz BWCHRALTHMXOPB-UHFFFAOYSA-N -1 3 374.484 2.804 20 5 FFBDHM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443390390 513956172 /nfs/dbraw/zinc/95/61/72/513956172.db2.gz WIZUSAQVWHTJOJ-SNVBAGLBSA-N -1 3 370.814 2.863 20 5 FFBDHM COc1cc([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000414182673 514002291 /nfs/dbraw/zinc/00/22/91/514002291.db2.gz MBEKAXJYWIYYCF-CQSZACIVSA-N -1 3 351.403 2.564 20 5 FFBDHM COc1cc([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000414194377 514006394 /nfs/dbraw/zinc/00/63/94/514006394.db2.gz XZMHKYJDQJRGAP-MRXNPFEDSA-N -1 3 363.414 2.708 20 5 FFBDHM COc1cccc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])c1[O-] ZINC000436917195 514035015 /nfs/dbraw/zinc/03/50/15/514035015.db2.gz ASYPTSFSLHMEEL-UHFFFAOYSA-N -1 3 359.382 2.849 20 5 FFBDHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)c1 ZINC000451967675 514100081 /nfs/dbraw/zinc/10/00/81/514100081.db2.gz RKHVSKLXBAILKE-HDJSIYSDSA-N -1 3 362.407 2.828 20 5 FFBDHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000451971544 514102072 /nfs/dbraw/zinc/10/20/72/514102072.db2.gz ZXRGFIUKRBWXGP-LSDHHAIUSA-N -1 3 362.407 2.746 20 5 FFBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000427085073 514112514 /nfs/dbraw/zinc/11/25/14/514112514.db2.gz PHKSAHPEOWPVPO-UHFFFAOYSA-N -1 3 364.321 2.697 20 5 FFBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000427085073 514112522 /nfs/dbraw/zinc/11/25/22/514112522.db2.gz PHKSAHPEOWPVPO-UHFFFAOYSA-N -1 3 364.321 2.697 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCCC2)cc1[N+](=O)[O-] ZINC000452039322 514153398 /nfs/dbraw/zinc/15/33/98/514153398.db2.gz BDOWSQDGUCMBSH-UHFFFAOYSA-N -1 3 362.473 2.574 20 5 FFBDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000444216933 514157133 /nfs/dbraw/zinc/15/71/33/514157133.db2.gz CWELIGIEOALWHD-DTWKUNHWSA-N -1 3 363.233 2.824 20 5 FFBDHM CCc1ccc([C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000427919944 514346744 /nfs/dbraw/zinc/34/67/44/514346744.db2.gz CKMZYKHHGAMOCJ-GOSISDBHSA-N -1 3 357.410 2.896 20 5 FFBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000439144419 514500136 /nfs/dbraw/zinc/50/01/36/514500136.db2.gz GAQQZPOJBNTDRB-UHFFFAOYSA-N -1 3 370.774 2.837 20 5 FFBDHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000466883980 514812973 /nfs/dbraw/zinc/81/29/73/514812973.db2.gz SXQKFZYHOLXKOV-OCCSQVGLSA-N -1 3 362.835 2.730 20 5 FFBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)c1F ZINC000485154120 514937540 /nfs/dbraw/zinc/93/75/40/514937540.db2.gz UGSNYCPVUSWFIU-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000467409383 514998806 /nfs/dbraw/zinc/99/88/06/514998806.db2.gz WSBVLWHOGLXQKL-MNOVXSKESA-N -1 3 361.489 2.506 20 5 FFBDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467423717 515002484 /nfs/dbraw/zinc/00/24/84/515002484.db2.gz NVCPCSUYGBUQLL-UHFFFAOYSA-N -1 3 370.452 2.803 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000480873896 515121469 /nfs/dbraw/zinc/12/14/69/515121469.db2.gz XDFIHXULIBOGHO-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cc(F)c(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000503736965 515131439 /nfs/dbraw/zinc/13/14/39/515131439.db2.gz ODZWGCRZPFZFKY-UHFFFAOYSA-N -1 3 374.340 2.842 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000499041483 515175970 /nfs/dbraw/zinc/17/59/70/515175970.db2.gz CTOKXEGPQYPKPY-UHFFFAOYSA-N -1 3 361.379 2.563 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000481039719 515184107 /nfs/dbraw/zinc/18/41/07/515184107.db2.gz OBDLGICHQJMMJN-HUUCEWRRSA-N -1 3 369.487 2.753 20 5 FFBDHM COc1cc([O-])cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c1 ZINC000509529999 515219905 /nfs/dbraw/zinc/21/99/05/515219905.db2.gz PZDLOOXGUVJMQQ-UHFFFAOYSA-N -1 3 354.322 2.747 20 5 FFBDHM COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(OC)c1[O-] ZINC000490548639 515246530 /nfs/dbraw/zinc/24/65/30/515246530.db2.gz XODJXZBXGCIZOP-UHFFFAOYSA-N -1 3 358.350 2.516 20 5 FFBDHM COc1cc(F)c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1F ZINC000468378642 515332469 /nfs/dbraw/zinc/33/24/69/515332469.db2.gz GZNNZXYJRIMLDW-UHFFFAOYSA-N -1 3 366.276 2.905 20 5 FFBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000491822546 515470575 /nfs/dbraw/zinc/47/05/75/515470575.db2.gz WANSEYPLUJQAGA-UHFFFAOYSA-N -1 3 373.394 2.798 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C ZINC000468815599 515533033 /nfs/dbraw/zinc/53/30/33/515533033.db2.gz CMGLIKHDPPZYEG-NSHDSACASA-N -1 3 372.443 2.875 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482222872 515612819 /nfs/dbraw/zinc/61/28/19/515612819.db2.gz TVLBNXHFVJSYDO-SNVBAGLBSA-N -1 3 371.319 2.617 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482222872 515612831 /nfs/dbraw/zinc/61/28/31/515612831.db2.gz TVLBNXHFVJSYDO-SNVBAGLBSA-N -1 3 371.319 2.617 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482222872 515612842 /nfs/dbraw/zinc/61/28/42/515612842.db2.gz TVLBNXHFVJSYDO-SNVBAGLBSA-N -1 3 371.319 2.617 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000510629977 515615264 /nfs/dbraw/zinc/61/52/64/515615264.db2.gz TTZWIROPVDWPGV-CYBMUJFWSA-N -1 3 364.851 2.978 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cc(F)cc(F)c1 ZINC000500382670 515683760 /nfs/dbraw/zinc/68/37/60/515683760.db2.gz VQTUJLFPKFWPDP-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c2ncccc12 ZINC000464190919 515735999 /nfs/dbraw/zinc/73/59/99/515735999.db2.gz WSQRACXLGNBXGU-JTQLQIEISA-N -1 3 371.365 2.999 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)c1[N+](=O)[O-] ZINC000511033782 515751451 /nfs/dbraw/zinc/75/14/51/515751451.db2.gz VVBLFBAVPNZHGT-JTQLQIEISA-N -1 3 371.365 2.924 20 5 FFBDHM CC(C)(C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000473851500 515775510 /nfs/dbraw/zinc/77/55/10/515775510.db2.gz CCRASQCGKDVZHL-AWEZNQCLSA-N -1 3 362.361 2.647 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCc2ccccc2)cc1C ZINC000474201581 515931552 /nfs/dbraw/zinc/93/15/52/515931552.db2.gz XTOUSVFNDQOUNI-UHFFFAOYSA-N -1 3 364.423 2.707 20 5 FFBDHM O=C(CCCc1ccc([O-])c(F)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000469812823 515978235 /nfs/dbraw/zinc/97/82/35/515978235.db2.gz WZCWLCAHVVNXPX-UHFFFAOYSA-N -1 3 359.357 2.742 20 5 FFBDHM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000511799439 516036883 /nfs/dbraw/zinc/03/68/83/516036883.db2.gz JIHJZDKZRMNQQA-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@](C)(C1CC1)C(F)(F)F ZINC000479127614 516069670 /nfs/dbraw/zinc/06/96/70/516069670.db2.gz DJVODONGDHOPHD-GFCCVEGCSA-N -1 3 352.334 2.913 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000507505878 516226044 /nfs/dbraw/zinc/22/60/44/516226044.db2.gz LSIDYXLDRURSNG-UKRRQHHQSA-N -1 3 355.394 2.866 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000561382107 516553996 /nfs/dbraw/zinc/55/39/96/516553996.db2.gz XBARUTDYARWWFN-SNVBAGLBSA-N -1 3 368.798 2.703 20 5 FFBDHM Cc1ccc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c([O-])c1 ZINC000518132439 516557936 /nfs/dbraw/zinc/55/79/36/516557936.db2.gz YKPUFYVGLYUGIY-UHFFFAOYSA-N -1 3 363.757 2.631 20 5 FFBDHM COc1cc(CNCc2ccn(Cc3ccccc3)n2)c([N+](=O)[O-])cc1[O-] ZINC000551219773 516612046 /nfs/dbraw/zinc/61/20/46/516612046.db2.gz YOWHKSLQMCVPBP-UHFFFAOYSA-N -1 3 368.393 2.844 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)nc1C(C)C ZINC000536075040 516620506 /nfs/dbraw/zinc/62/05/06/516620506.db2.gz LOXDTHFOBOTNBW-UHFFFAOYSA-N -1 3 364.383 2.999 20 5 FFBDHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000518618130 516724584 /nfs/dbraw/zinc/72/45/84/516724584.db2.gz FVUQPDGJRFKPNW-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@H]1C ZINC000514144896 516878962 /nfs/dbraw/zinc/87/89/62/516878962.db2.gz RNVHOOZIQPRXNK-DOMZBBRYSA-N -1 3 356.444 2.777 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)cc1C ZINC000562153112 516935170 /nfs/dbraw/zinc/93/51/70/516935170.db2.gz XSFGUTBCOMFXCJ-CQSZACIVSA-N -1 3 356.444 2.836 20 5 FFBDHM COC(=O)c1ccc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(F)c1 ZINC000525309743 517005471 /nfs/dbraw/zinc/00/54/71/517005471.db2.gz BILBQHIQTCWDCX-UHFFFAOYSA-N -1 3 362.269 2.502 20 5 FFBDHM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1c([O-])cccc1Cl ZINC000519590194 517064433 /nfs/dbraw/zinc/06/44/33/517064433.db2.gz BSKNRFCHJCTYTJ-UHFFFAOYSA-N -1 3 363.757 2.712 20 5 FFBDHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000542238419 517453965 /nfs/dbraw/zinc/45/39/65/517453965.db2.gz DHPJCEJZTWNBQA-LBPRGKRZSA-N -1 3 372.443 2.631 20 5 FFBDHM O=C([O-])[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000563125081 517677853 /nfs/dbraw/zinc/67/78/53/517677853.db2.gz KUUQHEFBCROFKM-JKSUJKDBSA-N -1 3 356.378 2.774 20 5 FFBDHM COCC1(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCC1 ZINC000549863645 517753185 /nfs/dbraw/zinc/75/31/85/517753185.db2.gz RNTRQUIVVVEEKU-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM Cc1cc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc([N+](=O)[O-])c1 ZINC000547043423 517965864 /nfs/dbraw/zinc/96/58/64/517965864.db2.gz FEBZGGLWCSWIKY-UHFFFAOYSA-N -1 3 374.378 2.992 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3cnn(C)c3c2)c1C ZINC000582639790 518849705 /nfs/dbraw/zinc/84/97/05/518849705.db2.gz MQCIPVWNSYGCAA-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM COc1cc(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000580201956 519058422 /nfs/dbraw/zinc/05/84/22/519058422.db2.gz LIHRIFJGMQWCKG-BXKDBHETSA-N -1 3 374.340 2.890 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000590590885 519278374 /nfs/dbraw/zinc/27/83/74/519278374.db2.gz LDALSAATZLSKQG-UHFFFAOYSA-N -1 3 374.434 2.654 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000590758850 519354416 /nfs/dbraw/zinc/35/44/16/519354416.db2.gz XXYNFWDFHVMHGG-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594472872 519982861 /nfs/dbraw/zinc/98/28/61/519982861.db2.gz HEZCVGLGUPHIOG-CABCVRRESA-N -1 3 354.428 2.529 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594485645 519994496 /nfs/dbraw/zinc/99/44/96/519994496.db2.gz BDDARYWMUXCWNK-ZIAGYGMSSA-N -1 3 356.444 2.838 20 5 FFBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000616415074 520005665 /nfs/dbraw/zinc/00/56/65/520005665.db2.gz QTAZOWIAWDJQQJ-UHFFFAOYSA-N -1 3 366.443 2.523 20 5 FFBDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594784298 520157065 /nfs/dbraw/zinc/15/70/65/520157065.db2.gz SOZFKZBWXKRURR-UHFFFAOYSA-N -1 3 367.427 2.625 20 5 FFBDHM COc1ccccc1C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000592070121 520165136 /nfs/dbraw/zinc/16/51/36/520165136.db2.gz HYSYETISLRIPMB-UHFFFAOYSA-N -1 3 368.436 2.941 20 5 FFBDHM COc1cc(CNc2ccnc(C)c2Br)c([N+](=O)[O-])cc1[O-] ZINC000616955449 520256120 /nfs/dbraw/zinc/25/61/20/520256120.db2.gz XEHXKXOWKFPWGE-UHFFFAOYSA-N -1 3 368.187 2.809 20 5 FFBDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000595353715 520424868 /nfs/dbraw/zinc/42/48/68/520424868.db2.gz LMEGVQOOROUTHC-DLBZAZTESA-N -1 3 364.423 2.631 20 5 FFBDHM CCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)nn1-c1ccccc1 ZINC000609783869 520431156 /nfs/dbraw/zinc/43/11/56/520431156.db2.gz RWIUOAXJJPOVGR-UHFFFAOYSA-N -1 3 367.365 2.999 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000610269596 520614504 /nfs/dbraw/zinc/61/45/04/520614504.db2.gz UYYOZJIQAQYTEO-CABCVRRESA-N -1 3 354.428 2.611 20 5 FFBDHM O=c1[n-]ccc(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1[N+](=O)[O-] ZINC000596104936 520914721 /nfs/dbraw/zinc/91/47/21/520914721.db2.gz GAXLYGIKFDKPTD-UHFFFAOYSA-N -1 3 366.381 2.865 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2cccc(OC)c2[N+](=O)[O-])[nH][n-]1 ZINC000618324073 520999146 /nfs/dbraw/zinc/99/91/46/520999146.db2.gz UMTXXSIFVLJNTO-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM COc1cc(CN2CCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000593745876 521189713 /nfs/dbraw/zinc/18/97/13/521189713.db2.gz BOELMSSXAUCWAE-HNNXBMFYSA-N -1 3 360.313 2.644 20 5 FFBDHM CC1(C(=O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000599472745 521245654 /nfs/dbraw/zinc/24/56/54/521245654.db2.gz OMAYVRQNWPGEIV-UHFFFAOYSA-N -1 3 360.819 2.676 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc2ncccc2c1 ZINC000619503258 521600518 /nfs/dbraw/zinc/60/05/18/521600518.db2.gz RJRQROCPHOKZBU-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000382279534 567959828 /nfs/dbraw/zinc/95/98/28/567959828.db2.gz GPGJHSXXRMUIML-CQSZACIVSA-N -1 3 356.382 2.622 20 5 FFBDHM CCc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736692812 599014704 /nfs/dbraw/zinc/01/47/04/599014704.db2.gz YYPZBAYPRDULGP-UHFFFAOYSA-N -1 3 355.354 2.795 20 5 FFBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)S1 ZINC000820766147 599074104 /nfs/dbraw/zinc/07/41/04/599074104.db2.gz ABIIMDNMUNSWTH-UWVGGRQHSA-N -1 3 371.426 2.653 20 5 FFBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)S1 ZINC000820766147 599074106 /nfs/dbraw/zinc/07/41/06/599074106.db2.gz ABIIMDNMUNSWTH-UWVGGRQHSA-N -1 3 371.426 2.653 20 5 FFBDHM COc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737144056 598248673 /nfs/dbraw/zinc/24/86/73/598248673.db2.gz ZHRPCJGHAZYNSR-LBPRGKRZSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1cccc2c1OCC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737144056 598248674 /nfs/dbraw/zinc/24/86/74/598248674.db2.gz ZHRPCJGHAZYNSR-LBPRGKRZSA-N -1 3 368.353 2.719 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCCO[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738368156 598310914 /nfs/dbraw/zinc/31/09/14/598310914.db2.gz ACMUFFPFMFWLOD-QGZVFWFLSA-N -1 3 366.381 2.743 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCCO[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738368156 598310915 /nfs/dbraw/zinc/31/09/15/598310915.db2.gz ACMUFFPFMFWLOD-QGZVFWFLSA-N -1 3 366.381 2.743 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000737372571 598489119 /nfs/dbraw/zinc/48/91/19/598489119.db2.gz GRTYZWYFEPFKDV-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000737372571 598489121 /nfs/dbraw/zinc/48/91/21/598489121.db2.gz GRTYZWYFEPFKDV-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM Cc1c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000737214017 598490017 /nfs/dbraw/zinc/49/00/17/598490017.db2.gz BRPJYSVOLIHCLG-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM Cc1c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000737214017 598490019 /nfs/dbraw/zinc/49/00/19/598490019.db2.gz BRPJYSVOLIHCLG-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160612 598583324 /nfs/dbraw/zinc/58/33/24/598583324.db2.gz SPHQZLAUNWMNBB-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160612 598583325 /nfs/dbraw/zinc/58/33/25/598583325.db2.gz SPHQZLAUNWMNBB-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000737948289 598649597 /nfs/dbraw/zinc/64/95/97/598649597.db2.gz SGFDFINNMYIGMU-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000737948289 598649598 /nfs/dbraw/zinc/64/95/98/598649598.db2.gz SGFDFINNMYIGMU-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737282784 598710763 /nfs/dbraw/zinc/71/07/63/598710763.db2.gz IXGARJYPQTYHHP-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737282784 598710764 /nfs/dbraw/zinc/71/07/64/598710764.db2.gz IXGARJYPQTYHHP-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM COc1ccc([C@H](C)N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737074301 598814971 /nfs/dbraw/zinc/81/49/71/598814971.db2.gz XGOARDWPIGKZJZ-NSHDSACASA-N -1 3 354.370 2.981 20 5 FFBDHM COc1ccc([C@H](C)N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000737074301 598814972 /nfs/dbraw/zinc/81/49/72/598814972.db2.gz XGOARDWPIGKZJZ-NSHDSACASA-N -1 3 354.370 2.981 20 5 FFBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000826263338 607531456 /nfs/dbraw/zinc/53/14/56/607531456.db2.gz WINNQZTYSCUSFI-CYBMUJFWSA-N -1 3 372.410 2.612 20 5 FFBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000826263338 607531457 /nfs/dbraw/zinc/53/14/57/607531457.db2.gz WINNQZTYSCUSFI-CYBMUJFWSA-N -1 3 372.410 2.612 20 5 FFBDHM CCc1ccc(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000821476662 606130915 /nfs/dbraw/zinc/13/09/15/606130915.db2.gz QRZQGMVEDYJNRX-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM CCc1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000821476662 606130916 /nfs/dbraw/zinc/13/09/16/606130916.db2.gz QRZQGMVEDYJNRX-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCSC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645593 606402324 /nfs/dbraw/zinc/40/23/24/606402324.db2.gz UONGJXJMMFSANC-SECBINFHSA-N -1 3 357.399 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCCSC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645593 606402325 /nfs/dbraw/zinc/40/23/25/606402325.db2.gz UONGJXJMMFSANC-SECBINFHSA-N -1 3 357.399 2.631 20 5 FFBDHM CCc1ccc([C@@H]2COCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821481009 606475954 /nfs/dbraw/zinc/47/59/54/606475954.db2.gz HHGBVGBVVNHHGP-HNNXBMFYSA-N -1 3 370.369 2.508 20 5 FFBDHM CCc1ccc([C@@H]2COCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821481009 606475955 /nfs/dbraw/zinc/47/59/55/606475955.db2.gz HHGBVGBVVNHHGP-HNNXBMFYSA-N -1 3 370.369 2.508 20 5 FFBDHM CCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(CC)CC ZINC000821359529 606477229 /nfs/dbraw/zinc/47/72/29/606477229.db2.gz NVUJXAPHFVLZSR-OLZOCXBDSA-N -1 3 361.406 2.566 20 5 FFBDHM CCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(CC)CC ZINC000821359529 606477230 /nfs/dbraw/zinc/47/72/30/606477230.db2.gz NVUJXAPHFVLZSR-OLZOCXBDSA-N -1 3 361.406 2.566 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822195579 606666674 /nfs/dbraw/zinc/66/66/74/606666674.db2.gz XGNFRYAOFPGHRB-UHFFFAOYSA-N -1 3 374.307 2.922 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822195579 606666675 /nfs/dbraw/zinc/66/66/75/606666675.db2.gz XGNFRYAOFPGHRB-UHFFFAOYSA-N -1 3 374.307 2.922 20 5 FFBDHM CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC000821573330 606971645 /nfs/dbraw/zinc/97/16/45/606971645.db2.gz LITVMRAUAPFXRC-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC000821573330 606971646 /nfs/dbraw/zinc/97/16/46/606971646.db2.gz LITVMRAUAPFXRC-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000822299797 607032475 /nfs/dbraw/zinc/03/24/75/607032475.db2.gz VDUPQYXCRQIRRM-CQSZACIVSA-N -1 3 351.370 2.820 20 5 FFBDHM Cc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000822299797 607032477 /nfs/dbraw/zinc/03/24/77/607032477.db2.gz VDUPQYXCRQIRRM-CQSZACIVSA-N -1 3 351.370 2.820 20 5 FFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000820769228 607116204 /nfs/dbraw/zinc/11/62/04/607116204.db2.gz RUGBHASMHOYLLA-MEBBXXQBSA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000820769228 607116205 /nfs/dbraw/zinc/11/62/05/607116205.db2.gz RUGBHASMHOYLLA-MEBBXXQBSA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@@H](c2ccsc2)O1 ZINC000820774381 607116360 /nfs/dbraw/zinc/11/63/60/607116360.db2.gz BPBMZTSVKPMQDG-BMIGLBTASA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@@H](c2ccsc2)O1 ZINC000820774381 607116361 /nfs/dbraw/zinc/11/63/61/607116361.db2.gz BPBMZTSVKPMQDG-BMIGLBTASA-N -1 3 372.410 2.803 20 5 FFBDHM CCc1c(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cnn1CC(C)C ZINC000825693714 607935083 /nfs/dbraw/zinc/93/50/83/607935083.db2.gz BDNGGEQVDYVGOP-UHFFFAOYSA-N -1 3 356.390 2.933 20 5 FFBDHM CCc1c(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cnn1CC(C)C ZINC000825693714 607935084 /nfs/dbraw/zinc/93/50/84/607935084.db2.gz BDNGGEQVDYVGOP-UHFFFAOYSA-N -1 3 356.390 2.933 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC000824046215 608162320 /nfs/dbraw/zinc/16/23/20/608162320.db2.gz RDVZNPFKAFWQOU-SCSAIBSYSA-N -1 3 364.671 2.565 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC000824046215 608162322 /nfs/dbraw/zinc/16/23/22/608162322.db2.gz RDVZNPFKAFWQOU-SCSAIBSYSA-N -1 3 364.671 2.565 20 5 FFBDHM C[C@@H](CCO)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824407013 608240225 /nfs/dbraw/zinc/24/02/25/608240225.db2.gz ULTWESJQKIMUBB-ZDUSSCGKSA-N -1 3 368.397 2.552 20 5 FFBDHM C[C@@H](CCO)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824407013 608240226 /nfs/dbraw/zinc/24/02/26/608240226.db2.gz ULTWESJQKIMUBB-ZDUSSCGKSA-N -1 3 368.397 2.552 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc(O)c3)cc(-c3nnn[n-]3)c2c1 ZINC000826499701 608371683 /nfs/dbraw/zinc/37/16/83/608371683.db2.gz SVJWVIRXHOHQCK-UHFFFAOYSA-N -1 3 363.337 2.641 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc(O)c3)cc(-c3nn[n-]n3)c2c1 ZINC000826499701 608371685 /nfs/dbraw/zinc/37/16/85/608371685.db2.gz SVJWVIRXHOHQCK-UHFFFAOYSA-N -1 3 363.337 2.641 20 5 FFBDHM O=[N+]([O-])c1ccsc1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826500995 608585160 /nfs/dbraw/zinc/58/51/60/608585160.db2.gz VASUNDKZBASJIK-UHFFFAOYSA-N -1 3 368.382 2.839 20 5 FFBDHM O=[N+]([O-])c1ccsc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826500995 608585162 /nfs/dbraw/zinc/58/51/62/608585162.db2.gz VASUNDKZBASJIK-UHFFFAOYSA-N -1 3 368.382 2.839 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cccc(-c4nnn[n-]4)c3F)c2)c1 ZINC000826499305 609313752 /nfs/dbraw/zinc/31/37/52/609313752.db2.gz DJGOKBPVRZJPNH-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cccc(-c4nn[n-]n4)c3F)c2)c1 ZINC000826499305 609313754 /nfs/dbraw/zinc/31/37/54/609313754.db2.gz DJGOKBPVRZJPNH-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1F ZINC000824962161 609319146 /nfs/dbraw/zinc/31/91/46/609319146.db2.gz PKFWLEMKFKNFAH-TVQRCGJNSA-N -1 3 357.349 2.507 20 5 FFBDHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1F ZINC000824962161 609319148 /nfs/dbraw/zinc/31/91/48/609319148.db2.gz PKFWLEMKFKNFAH-TVQRCGJNSA-N -1 3 357.349 2.507 20 5 FFBDHM CC(C)(C)Oc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC000824124259 609431206 /nfs/dbraw/zinc/43/12/06/609431206.db2.gz RMTZPVHSSIIOMD-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC000824124259 609431208 /nfs/dbraw/zinc/43/12/08/609431208.db2.gz RMTZPVHSSIIOMD-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM C[C@H]1CCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824929471 609509611 /nfs/dbraw/zinc/50/96/11/609509611.db2.gz XVWPNNVBBXCJSO-IONNQARKSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@H]1CCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824929471 609509612 /nfs/dbraw/zinc/50/96/12/609509612.db2.gz XVWPNNVBBXCJSO-IONNQARKSA-N -1 3 350.766 2.803 20 5 FFBDHM Cc1ccc(NCCCNc2nccc(C)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000826291612 609559028 /nfs/dbraw/zinc/55/90/28/609559028.db2.gz NOMAGXMEZDECEA-UHFFFAOYSA-N -1 3 368.401 2.701 20 5 FFBDHM Cc1ccc(NCCCNc2nccc(C)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826291612 609559031 /nfs/dbraw/zinc/55/90/31/609559031.db2.gz NOMAGXMEZDECEA-UHFFFAOYSA-N -1 3 368.401 2.701 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000134668925 728732017 /nfs/dbraw/zinc/73/20/17/728732017.db2.gz QVRPXHZFLBJJOD-UHFFFAOYSA-N -1 3 354.359 2.589 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(COc3ccccc3)cs2)n1 ZINC000779741777 738480893 /nfs/dbraw/zinc/48/08/93/738480893.db2.gz OOQXHPKYYHIUHE-UHFFFAOYSA-N -1 3 359.367 2.616 20 5 FFBDHM CC(C)(C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000863375703 730773336 /nfs/dbraw/zinc/77/33/36/730773336.db2.gz AUKCKBXTHYZXKR-UHFFFAOYSA-N -1 3 358.341 2.923 20 5 FFBDHM CCC(C)(C)c1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000759169982 736552502 /nfs/dbraw/zinc/55/25/02/736552502.db2.gz VRDBKNOQNNPTLH-UHFFFAOYSA-N -1 3 364.427 2.983 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)n1 ZINC000760325049 736629809 /nfs/dbraw/zinc/62/98/09/736629809.db2.gz GVAJTJBIKTYKRN-UHFFFAOYSA-N -1 3 357.775 2.761 20 5 FFBDHM COc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1F ZINC000769889481 737579318 /nfs/dbraw/zinc/57/93/18/737579318.db2.gz KWUODPLYSXECEX-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c(Cl)c1 ZINC000917876223 737781246 /nfs/dbraw/zinc/78/12/46/737781246.db2.gz IVCAWNLMCDDTNW-ZCFIWIBFSA-N -1 3 359.618 2.720 20 5 FFBDHM O=C(c1ccc([O-])cc1)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000798217636 740313202 /nfs/dbraw/zinc/31/32/02/740313202.db2.gz VNWHSJIJTBVAOQ-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC000799526936 740426958 /nfs/dbraw/zinc/42/69/58/740426958.db2.gz JWOQINHFNYAVGA-UHFFFAOYSA-N -1 3 371.321 2.632 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(S(C)(=O)=O)c1 ZINC000800151925 740492445 /nfs/dbraw/zinc/49/24/45/740492445.db2.gz TUKOBONDBLGYEM-UHFFFAOYSA-N -1 3 358.372 2.760 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC[C@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000845977012 748368736 /nfs/dbraw/zinc/36/87/36/748368736.db2.gz TXXPPHPLBIIZFE-MNOVXSKESA-N -1 3 356.828 2.948 20 5 FFBDHM CC(C)(C)OC(=O)N[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000853698688 750138768 /nfs/dbraw/zinc/13/87/68/750138768.db2.gz RTMVCCCHGRXZQB-QWRGUYRKSA-N -1 3 352.391 2.799 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000056108499 845350756 /nfs/dbraw/zinc/35/07/56/845350756.db2.gz UWRVZAUYKSFAHZ-SECBINFHSA-N -1 3 369.330 2.682 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccn1 ZINC000736140677 944749074 /nfs/dbraw/zinc/74/90/74/944749074.db2.gz ZDSGDWICAXITKW-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccn1 ZINC000736140677 944749082 /nfs/dbraw/zinc/74/90/82/944749082.db2.gz ZDSGDWICAXITKW-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM CN(CCOC(C)(C)C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821603724 945741339 /nfs/dbraw/zinc/74/13/39/945741339.db2.gz MAGDJMMTZINGMJ-UHFFFAOYSA-N -1 3 371.401 2.574 20 5 FFBDHM CN(CCOC(C)(C)C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821603724 945741346 /nfs/dbraw/zinc/74/13/46/945741346.db2.gz MAGDJMMTZINGMJ-UHFFFAOYSA-N -1 3 371.401 2.574 20 5 FFBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000826263366 947762568 /nfs/dbraw/zinc/76/25/68/947762568.db2.gz XMNAOEYLFNMXNX-ZDUSSCGKSA-N -1 3 372.410 2.612 20 5 FFBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000826263366 947762572 /nfs/dbraw/zinc/76/25/72/947762572.db2.gz XMNAOEYLFNMXNX-ZDUSSCGKSA-N -1 3 372.410 2.612 20 5 FFBDHM O=C(C[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccco1 ZINC000826404800 948232631 /nfs/dbraw/zinc/23/26/31/948232631.db2.gz LVAFIJODRNHBSW-GFCCVEGCSA-N -1 3 368.353 2.610 20 5 FFBDHM O=C(C[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccco1 ZINC000826404800 948232639 /nfs/dbraw/zinc/23/26/39/948232639.db2.gz LVAFIJODRNHBSW-GFCCVEGCSA-N -1 3 368.353 2.610 20 5 FFBDHM CC(C)(C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788530 949201615 /nfs/dbraw/zinc/20/16/15/949201615.db2.gz LPAQZYOXWVOLDA-UHFFFAOYSA-N -1 3 371.328 2.797 20 5 FFBDHM CC(C)(C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788530 949201633 /nfs/dbraw/zinc/20/16/33/949201633.db2.gz LPAQZYOXWVOLDA-UHFFFAOYSA-N -1 3 371.328 2.797 20 5 FFBDHM O=C([N-]c1c(Cl)ncnc1-n1cccn1)c1ccc([N+](=O)[O-])s1 ZINC001126865401 976398506 /nfs/dbraw/zinc/39/85/06/976398506.db2.gz CHSYSUKZNNUZCS-UHFFFAOYSA-N -1 3 350.747 2.538 20 5 FFBDHM C[C@H](COc1ccccc1)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592782084 979417365 /nfs/dbraw/zinc/41/73/65/979417365.db2.gz CUPUBARDBHGYDW-CYBMUJFWSA-N -1 3 360.366 2.615 20 5 FFBDHM O=C(c1cc2c(cc1[O-])OCO2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000436614931 980274915 /nfs/dbraw/zinc/27/49/15/980274915.db2.gz BGCFENAVRFLAOC-UHFFFAOYSA-N -1 3 356.334 2.834 20 5 FFBDHM CCOC(=O)c1cccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000916855611 990001866 /nfs/dbraw/zinc/00/18/66/990001866.db2.gz AUIQVWORYIPISO-UHFFFAOYSA-N -1 3 355.306 2.867 20 5 FFBDHM CN(CCc1ccc(F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598500018 992422280 /nfs/dbraw/zinc/42/22/80/992422280.db2.gz AJZBEPUXGDMNKJ-UHFFFAOYSA-N -1 3 362.357 2.872 20 5 FFBDHM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC001593146929 993947376 /nfs/dbraw/zinc/94/73/76/993947376.db2.gz VDKVUVMJZFPEAU-YVEFUNNKSA-N -1 3 371.393 2.714 20 5 FFBDHM C[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN(Cc2ccccc2)C1 ZINC001144569423 998659620 /nfs/dbraw/zinc/65/96/20/998659620.db2.gz WSNKYTCHWKUMEO-LJQANCHMSA-N -1 3 355.394 2.695 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3cc(C4CCOCC4)nn3c2)c1 ZINC001199828863 1005034770 /nfs/dbraw/zinc/03/47/70/1005034770.db2.gz WNRAPEJZXHNSPR-UHFFFAOYSA-N -1 3 355.354 2.981 20 5 FFBDHM O=C(c1nnc2ccccc2c1[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129673622 1006399231 /nfs/dbraw/zinc/39/92/31/1006399231.db2.gz LKWHATRKSYHFHK-UHFFFAOYSA-N -1 3 364.361 2.636 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])s1 ZINC001189569585 1007162885 /nfs/dbraw/zinc/16/28/85/1007162885.db2.gz FYLUTWCWALYVKF-UHFFFAOYSA-N -1 3 365.436 2.967 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001136308487 1008295366 /nfs/dbraw/zinc/29/53/66/1008295366.db2.gz JAWXBWCTECCCGS-NSHDSACASA-N -1 3 355.350 2.916 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000886656371 1008797666 /nfs/dbraw/zinc/79/76/66/1008797666.db2.gz BXRYMYYYTHUFLE-AWEZNQCLSA-N -1 3 357.414 2.590 20 5 FFBDHM COc1c([O-])ccc(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1[N+](=O)[O-] ZINC001181970268 1010345720 /nfs/dbraw/zinc/34/57/20/1010345720.db2.gz BXEQFZROMGEYJN-LLVKDONJSA-N -1 3 364.320 2.851 20 5 FFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1nnc3ccccc3c1[O-])CC2 ZINC000773985799 1010415299 /nfs/dbraw/zinc/41/52/99/1010415299.db2.gz RLRTVUXXMKHJAU-UHFFFAOYSA-N -1 3 350.334 2.755 20 5 FFBDHM COc1cccc(NCc2c(F)cccc2[N-]S(C)(=O)=O)c1[N+](=O)[O-] ZINC001116638543 1021325675 /nfs/dbraw/zinc/32/56/75/1021325675.db2.gz YTIUHVIGXYLAJO-UHFFFAOYSA-N -1 3 369.374 2.726 20 5 FFBDHM Cc1c2cccc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)c2nn1C ZINC001212937125 1027444051 /nfs/dbraw/zinc/44/40/51/1027444051.db2.gz PJCMOKXALYNEDM-UHFFFAOYSA-N -1 3 352.310 2.608 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001157234086 1029514732 /nfs/dbraw/zinc/51/47/32/1029514732.db2.gz MUHOPXZHCKTHMJ-YFKPBYRVSA-N -1 3 363.683 2.876 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661104 1034355823 /nfs/dbraw/zinc/35/58/23/1034355823.db2.gz JCNBIXUNCSLADC-PWSUYJOCSA-N -1 3 371.365 2.812 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1COc2c1cccc2Br ZINC001225664472 1034356710 /nfs/dbraw/zinc/35/67/10/1034356710.db2.gz OUVDLDMWOTYYRJ-SNVBAGLBSA-N -1 3 353.128 2.970 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664086 1034357953 /nfs/dbraw/zinc/35/79/53/1034357953.db2.gz JDDVUTNWCQVNKC-LBPRGKRZSA-N -1 3 365.386 2.864 20 5 FFBDHM O=c1cccc2oc3cc([O-])c(O[C@H]4C[NH+]5CCC4CC5)cc3c([O-])c1-2 ZINC001227305849 1035501597 /nfs/dbraw/zinc/50/15/97/1035501597.db2.gz ASPCYEWSVKQJJX-SFHVURJKSA-N -1 3 353.374 2.830 20 5 FFBDHM COC(=O)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1cccc(Cl)c1 ZINC001227689724 1035675281 /nfs/dbraw/zinc/67/52/81/1035675281.db2.gz CLYDHNMKIDDKOY-ZDUSSCGKSA-N -1 3 362.729 2.813 20 5 FFBDHM CC[C@H](O)C(=O)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227700450 1035683564 /nfs/dbraw/zinc/68/35/64/1035683564.db2.gz UJQIVKGMWXWMNC-AWEZNQCLSA-N -1 3 359.334 2.516 20 5 FFBDHM Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCN(C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227699590 1035684643 /nfs/dbraw/zinc/68/46/43/1035684643.db2.gz IGRDPIYXOYOFDP-HNNXBMFYSA-N -1 3 356.378 2.923 20 5 FFBDHM O=C1C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CN1Cc1ccccc1 ZINC001227743528 1035710928 /nfs/dbraw/zinc/71/09/28/1035710928.db2.gz RZUWHLDDMSCICP-AWEZNQCLSA-N -1 3 352.350 2.651 20 5 FFBDHM O=C1C[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CN1Cc1ccccc1 ZINC001227743528 1035710941 /nfs/dbraw/zinc/71/09/41/1035710941.db2.gz RZUWHLDDMSCICP-AWEZNQCLSA-N -1 3 352.350 2.651 20 5 FFBDHM COC(=O)c1ccc([O-])c(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC001227826866 1035758458 /nfs/dbraw/zinc/75/84/58/1035758458.db2.gz VKXAVPQRTUWBMB-UHFFFAOYSA-N -1 3 373.365 2.530 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCCOCc2ccccc2)c([N+](=O)[O-])s1 ZINC001208068667 1037993389 /nfs/dbraw/zinc/99/33/89/1037993389.db2.gz ONTFTGRLVRVYKK-UHFFFAOYSA-N -1 3 370.452 2.850 20 5 FFBDHM CN1CCN(c2ccc3[nH]c(-c4cc([N+](=O)[O-])ccc4[O-])nc3c2)CC1 ZINC001251044971 1038910719 /nfs/dbraw/zinc/91/07/19/1038910719.db2.gz CUBMLYCLGCCVMV-UHFFFAOYSA-N -1 3 353.382 2.596 20 5 FFBDHM CCOC(=O)C1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001254279325 1040657713 /nfs/dbraw/zinc/65/77/13/1040657713.db2.gz HQCVGJMUXROISX-UHFFFAOYSA-N -1 3 356.325 2.679 20 5 FFBDHM O=C([N-]c1nnc(-c2ccncc2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001326796819 1047092965 /nfs/dbraw/zinc/09/29/65/1047092965.db2.gz JRXIIEZDHDVHEY-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc(C)n1 ZINC001340465133 1050859216 /nfs/dbraw/zinc/85/92/16/1050859216.db2.gz MIIZIQXWJRXSFD-UHFFFAOYSA-N -1 3 355.803 2.791 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303256072 1051313576 /nfs/dbraw/zinc/31/35/76/1051313576.db2.gz BPPQTZOFJSRHNI-UHFFFAOYSA-N -1 3 360.757 2.777 20 5 FFBDHM CN(C)c1ccc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1F ZINC000901940685 1052291197 /nfs/dbraw/zinc/29/11/97/1052291197.db2.gz PXASVXSWDRZAPG-SFHVURJKSA-N -1 3 361.373 2.890 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C/C=C\C1CC1 ZINC001348538149 1054772773 /nfs/dbraw/zinc/77/27/73/1054772773.db2.gz VCNNOUMVPTXSIL-UPHRSURJSA-N -1 3 350.318 2.858 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001544666409 1071674939 /nfs/dbraw/zinc/67/49/39/1071674939.db2.gz WTJRWHURIQFUMT-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001544666409 1071674954 /nfs/dbraw/zinc/67/49/54/1071674954.db2.gz WTJRWHURIQFUMT-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1ccccc1[N+](=O)[O-] ZINC001456802603 1060204252 /nfs/dbraw/zinc/20/42/52/1060204252.db2.gz SIPWMYNWZLJMAE-UHFFFAOYSA-N -1 3 366.333 2.927 20 5 FFBDHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001456802603 1060204268 /nfs/dbraw/zinc/20/42/68/1060204268.db2.gz SIPWMYNWZLJMAE-UHFFFAOYSA-N -1 3 366.333 2.927 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001475231152 1061009009 /nfs/dbraw/zinc/00/90/09/1061009009.db2.gz WSPJAMPINZJMRK-CLLJXQQHSA-N -1 3 374.434 2.914 20 5 FFBDHM COc1cc(C(=O)[N-]c2c(Cl)cncc2Cl)c([N+](=O)[O-])cc1OC ZINC001532842338 1063191642 /nfs/dbraw/zinc/19/16/42/1063191642.db2.gz YKTSXEINWATMNT-UHFFFAOYSA-N -1 3 372.164 2.988 20 5 FFBDHM COC(=O)c1c(Cl)ccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1Cl ZINC001532954875 1063214525 /nfs/dbraw/zinc/21/45/25/1063214525.db2.gz OMBQPGHEMNYJRY-UHFFFAOYSA-N -1 3 373.152 2.674 20 5 FFBDHM CN(C)c1nccc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC001472564269 1065098349 /nfs/dbraw/zinc/09/83/49/1065098349.db2.gz ADFVXSGWNBKJAD-UHFFFAOYSA-N -1 3 353.338 2.562 20 5 FFBDHM C[C@]1(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCCO1 ZINC001575792068 1078168295 /nfs/dbraw/zinc/16/82/95/1078168295.db2.gz HWYPFFDBAOCSGT-QGZVFWFLSA-N -1 3 369.385 2.694 20 5 FFBDHM C[C@]1(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCCO1 ZINC001575792068 1078168298 /nfs/dbraw/zinc/16/82/98/1078168298.db2.gz HWYPFFDBAOCSGT-QGZVFWFLSA-N -1 3 369.385 2.694 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001578527638 1078488048 /nfs/dbraw/zinc/48/80/48/1078488048.db2.gz UKKTWLXYDKVONG-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001578527638 1078488053 /nfs/dbraw/zinc/48/80/53/1078488053.db2.gz UKKTWLXYDKVONG-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC001578856357 1078535225 /nfs/dbraw/zinc/53/52/25/1078535225.db2.gz YZQAGKQYIZXCJO-HUUCEWRRSA-N -1 3 364.365 2.541 20 5 FFBDHM CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC001578856357 1078535230 /nfs/dbraw/zinc/53/52/30/1078535230.db2.gz YZQAGKQYIZXCJO-HUUCEWRRSA-N -1 3 364.365 2.541 20 5 FFBDHM Cc1cc(C(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001580772091 1078858460 /nfs/dbraw/zinc/85/84/60/1078858460.db2.gz JHLDAPIGFZMMKX-GFCCVEGCSA-N -1 3 366.381 2.917 20 5 FFBDHM Cc1cc(C(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001580772091 1078858466 /nfs/dbraw/zinc/85/84/66/1078858466.db2.gz JHLDAPIGFZMMKX-GFCCVEGCSA-N -1 3 366.381 2.917 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1N[C@@H]1CCO[C@H]1c1ccccc1 ZINC001582803927 1079109905 /nfs/dbraw/zinc/10/99/05/1079109905.db2.gz CSUCCFATOUEWHS-CJNGLKHVSA-N -1 3 352.354 2.717 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1N[C@@H]1CCO[C@H]1c1ccccc1 ZINC001582803927 1079109908 /nfs/dbraw/zinc/10/99/08/1079109908.db2.gz CSUCCFATOUEWHS-CJNGLKHVSA-N -1 3 352.354 2.717 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[n-]n1 ZINC001556064189 1075696375 /nfs/dbraw/zinc/69/63/75/1075696375.db2.gz YZYSVMRBLDKAEM-UHFFFAOYSA-N -1 3 352.734 2.709 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[n-]1 ZINC001556064189 1075696378 /nfs/dbraw/zinc/69/63/78/1075696378.db2.gz YZYSVMRBLDKAEM-UHFFFAOYSA-N -1 3 352.734 2.709 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC001561314117 1076361106 /nfs/dbraw/zinc/36/11/06/1076361106.db2.gz SBAOOMLTENETCN-WBMJQRKESA-N -1 3 374.434 2.772 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC001561852986 1076434425 /nfs/dbraw/zinc/43/44/25/1076434425.db2.gz BPIJNVPNBDBNMA-CYBMUJFWSA-N -1 3 362.835 2.874 20 5 FFBDHM Cc1nc(-c2ccnc([N-]C(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)c2)n[nH]1 ZINC001570112401 1077184192 /nfs/dbraw/zinc/18/41/92/1077184192.db2.gz DDSCVHWYINWALW-UHFFFAOYSA-N -1 3 374.307 2.922 20 5 FFBDHM CC(C)COc1cc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)ncn1 ZINC001587795039 1079866167 /nfs/dbraw/zinc/86/61/67/1079866167.db2.gz BJZCSJYOXSNVCB-UHFFFAOYSA-N -1 3 352.297 2.950 20 5 FFBDHM C[C@@](CNCc1nc2cc([N+](=O)[O-])ccc2o1)(C(=O)[O-])c1ccccc1 ZINC001589070339 1080337780 /nfs/dbraw/zinc/33/77/80/1080337780.db2.gz SLYQRCJNRNCDJB-SFHVURJKSA-N -1 3 355.350 2.868 20 5 FFBDHM CC(C)(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1-c1nnn[n-]1 ZINC001589203907 1080415954 /nfs/dbraw/zinc/41/59/54/1080415954.db2.gz ZCFNETAFBNFPLB-UHFFFAOYSA-N -1 3 371.357 2.533 20 5 FFBDHM CC(C)(C)Oc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1-c1nn[n-]n1 ZINC001589203907 1080415957 /nfs/dbraw/zinc/41/59/57/1080415957.db2.gz ZCFNETAFBNFPLB-UHFFFAOYSA-N -1 3 371.357 2.533 20 5 FFBDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccnc1[N+](=O)[O-] ZINC001589701758 1080677669 /nfs/dbraw/zinc/67/76/69/1080677669.db2.gz YBTLNVDRDUSHPJ-UHFFFAOYSA-N -1 3 353.386 2.581 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589876796 1080825758 /nfs/dbraw/zinc/82/57/58/1080825758.db2.gz SMAPPXOOZBSTJB-JTQLQIEISA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589876796 1080825768 /nfs/dbraw/zinc/82/57/68/1080825768.db2.gz SMAPPXOOZBSTJB-JTQLQIEISA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@H](Cc1cccc(F)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589899316 1080848568 /nfs/dbraw/zinc/84/85/68/1080848568.db2.gz IMPOBQIWURANNP-LLVKDONJSA-N -1 3 356.361 2.981 20 5 FFBDHM C[C@H](Cc1cccc(F)c1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589899316 1080848571 /nfs/dbraw/zinc/84/85/71/1080848571.db2.gz IMPOBQIWURANNP-LLVKDONJSA-N -1 3 356.361 2.981 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945846 1080889870 /nfs/dbraw/zinc/88/98/70/1080889870.db2.gz DQFVQCSXHPIQKY-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945846 1080889874 /nfs/dbraw/zinc/88/98/74/1080889874.db2.gz DQFVQCSXHPIQKY-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001590109306 1081020485 /nfs/dbraw/zinc/02/04/85/1081020485.db2.gz SUUYCCAGPPVAAT-SNVBAGLBSA-N -1 3 371.323 2.585 20 5 FFBDHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC001590109306 1081020494 /nfs/dbraw/zinc/02/04/94/1081020494.db2.gz SUUYCCAGPPVAAT-SNVBAGLBSA-N -1 3 371.323 2.585 20 5 FFBDHM COc1cc(CNC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000101588794 250081371 /nfs/dbraw/zinc/08/13/71/250081371.db2.gz RWZSSMSAKFMPNX-OAHLLOKOSA-N -1 3 361.398 2.829 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000104760518 250185622 /nfs/dbraw/zinc/18/56/22/250185622.db2.gz HOEMCIIETSYMMR-CYBMUJFWSA-N -1 3 355.441 2.930 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272450398 252041128 /nfs/dbraw/zinc/04/11/28/252041128.db2.gz SOEUAUMJOUSBFV-CYBMUJFWSA-N -1 3 354.384 2.552 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCc2nccs2)c1[N+](=O)[O-] ZINC000290049111 257313077 /nfs/dbraw/zinc/31/30/77/257313077.db2.gz DFSOVWIFRBJZCA-UHFFFAOYSA-N -1 3 355.441 2.579 20 5 FFBDHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000295441633 257632758 /nfs/dbraw/zinc/63/27/58/257632758.db2.gz WSVYWUQYTQHIKD-VIFPVBQESA-N -1 3 358.807 2.504 20 5 FFBDHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000371854437 512604566 /nfs/dbraw/zinc/60/45/66/512604566.db2.gz XHYSKFPNIUGJRP-CYBMUJFWSA-N -1 3 353.425 2.716 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000331105115 258177305 /nfs/dbraw/zinc/17/73/05/258177305.db2.gz QJSIGIYVLZEVNQ-GJZGRUSLSA-N -1 3 370.471 2.821 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000331953708 258207479 /nfs/dbraw/zinc/20/74/79/258207479.db2.gz PFBGRGVZFMOKDM-CQSZACIVSA-N -1 3 367.471 2.507 20 5 FFBDHM CCN1CCc2nc([N-]C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])sc2C1 ZINC000331789154 258200683 /nfs/dbraw/zinc/20/06/83/258200683.db2.gz PLGDRKYGRDCNEP-UHFFFAOYSA-N -1 3 364.431 2.528 20 5 FFBDHM CCOc1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000053670790 506425437 /nfs/dbraw/zinc/42/54/37/506425437.db2.gz IZDPBPCJKCKYBA-UHFFFAOYSA-N -1 3 350.396 2.780 20 5 FFBDHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000053671122 506425339 /nfs/dbraw/zinc/42/53/39/506425339.db2.gz ALARKFIVXJQMQF-CYBMUJFWSA-N -1 3 350.396 2.649 20 5 FFBDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000044260129 506826984 /nfs/dbraw/zinc/82/69/84/506826984.db2.gz IBRBIFZJLLKCTR-UHFFFAOYSA-N -1 3 367.358 2.802 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000023396894 507351286 /nfs/dbraw/zinc/35/12/86/507351286.db2.gz KZUXSQXQXPASAC-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cn3c(cccc3C)n2)cc1C ZINC000068944183 507366790 /nfs/dbraw/zinc/36/67/90/507366790.db2.gz MHWPOCRRZVUQIL-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000111349908 508092451 /nfs/dbraw/zinc/09/24/51/508092451.db2.gz YDZDJGIYPQYSMX-CYBMUJFWSA-N -1 3 362.407 2.612 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000111368414 508094981 /nfs/dbraw/zinc/09/49/81/508094981.db2.gz HGPMSDQCQWIPPG-PIGZYNQJSA-N -1 3 362.407 2.815 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000075793284 508134373 /nfs/dbraw/zinc/13/43/73/508134373.db2.gz QMHBZRZJKSDFOS-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1csc([N+](=O)[O-])c1 ZINC000081731048 508206940 /nfs/dbraw/zinc/20/69/40/508206940.db2.gz RSMIDNGXXYWEPM-UHFFFAOYSA-N -1 3 351.294 2.972 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000134671147 508557698 /nfs/dbraw/zinc/55/76/98/508557698.db2.gz JBNADCRYXLJYIA-ZDUSSCGKSA-N -1 3 354.428 2.755 20 5 FFBDHM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000116848913 508567216 /nfs/dbraw/zinc/56/72/16/508567216.db2.gz JEZFLIXWHQYFAZ-SANMLTNESA-N -1 3 372.406 2.910 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000158738071 508746718 /nfs/dbraw/zinc/74/67/18/508746718.db2.gz VFNCMKNKIRAJKU-SNVBAGLBSA-N -1 3 353.400 2.590 20 5 FFBDHM CCN1CCc2nc([N-]C(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000159253666 508814911 /nfs/dbraw/zinc/81/49/11/508814911.db2.gz CEIYDLZBUOJXOK-UHFFFAOYSA-N -1 3 350.375 2.821 20 5 FFBDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)o1 ZINC000154717648 508840805 /nfs/dbraw/zinc/84/08/05/508840805.db2.gz HASLBISZCZANAB-HNNXBMFYSA-N -1 3 368.411 2.557 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)s1 ZINC000159636720 508869492 /nfs/dbraw/zinc/86/94/92/508869492.db2.gz RMTHUIPJODSXSK-SNVBAGLBSA-N -1 3 370.452 2.883 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nccs1 ZINC000150818137 508899854 /nfs/dbraw/zinc/89/98/54/508899854.db2.gz YSIGVVHQPPBKGF-CQSZACIVSA-N -1 3 371.440 2.664 20 5 FFBDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000159900580 508908502 /nfs/dbraw/zinc/90/85/02/508908502.db2.gz SSQACRZIYOGCSA-MRVPVSSYSA-N -1 3 373.818 2.763 20 5 FFBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000131334020 508917741 /nfs/dbraw/zinc/91/77/41/508917741.db2.gz SVWSQMDFHMSZSM-AWEZNQCLSA-N -1 3 367.452 2.930 20 5 FFBDHM O=[N+]([O-])c1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1Br ZINC000120223551 508953870 /nfs/dbraw/zinc/95/38/70/508953870.db2.gz JAWXSUUHYOHUSI-LLVKDONJSA-N -1 3 360.164 2.937 20 5 FFBDHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000120223551 508953873 /nfs/dbraw/zinc/95/38/73/508953873.db2.gz JAWXSUUHYOHUSI-LLVKDONJSA-N -1 3 360.164 2.937 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000125331789 508967061 /nfs/dbraw/zinc/96/70/61/508967061.db2.gz YEEQGOYNUZDCEM-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000125555777 508999086 /nfs/dbraw/zinc/99/90/86/508999086.db2.gz UJMUZNRCQNLUJN-UHFFFAOYSA-N -1 3 362.473 2.840 20 5 FFBDHM CCc1ccc([C@@H](CO)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000125739764 509023776 /nfs/dbraw/zinc/02/37/76/509023776.db2.gz NOPVJSYNSYOERP-CYBMUJFWSA-N -1 3 370.452 2.539 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000125745937 509024660 /nfs/dbraw/zinc/02/46/60/509024660.db2.gz CVKPCTFSWPNFHB-GDLCADMTSA-N -1 3 372.468 2.591 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000120964738 509098527 /nfs/dbraw/zinc/09/85/27/509098527.db2.gz SUVZAQIYMFCFOA-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)[n-]c21 ZINC000162445269 509226092 /nfs/dbraw/zinc/22/60/92/509226092.db2.gz YCZWJSLTHZHMMM-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)nc21 ZINC000162445269 509226099 /nfs/dbraw/zinc/22/60/99/509226099.db2.gz YCZWJSLTHZHMMM-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM CCc1n[nH]c(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000179026075 509229783 /nfs/dbraw/zinc/22/97/83/509229783.db2.gz IHLSXZWGRXQWKI-UHFFFAOYSA-N -1 3 358.276 2.761 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCSCC2)c(C(F)(F)F)c1 ZINC000179031752 509233575 /nfs/dbraw/zinc/23/35/75/509233575.db2.gz CNIGKBUABCGACY-UHFFFAOYSA-N -1 3 370.374 2.788 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000248131964 509241649 /nfs/dbraw/zinc/24/16/49/509241649.db2.gz KRCBWDIJHIIGIX-UHFFFAOYSA-N -1 3 350.396 2.817 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000186248260 509601025 /nfs/dbraw/zinc/60/10/25/509601025.db2.gz IQBZEJPGFPILFB-MRVPVSSYSA-N -1 3 360.388 2.844 20 5 FFBDHM COc1ccccc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189789354 509752561 /nfs/dbraw/zinc/75/25/61/509752561.db2.gz VPJNGZYEWVTJBL-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COc1cc(CNCc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1[O-] ZINC000268229559 509826363 /nfs/dbraw/zinc/82/63/63/509826363.db2.gz UAWHBMRHOKMQMO-UHFFFAOYSA-N -1 3 352.416 2.748 20 5 FFBDHM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186875694 509924549 /nfs/dbraw/zinc/92/45/49/509924549.db2.gz KRVKJMUZHGYTKQ-UHFFFAOYSA-N -1 3 357.244 2.889 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCc2c(O)cccc21 ZINC000190335422 510070298 /nfs/dbraw/zinc/07/02/98/510070298.db2.gz GFYIPHVAXXPTLM-CQSZACIVSA-N -1 3 362.407 2.965 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000190335436 510070485 /nfs/dbraw/zinc/07/04/85/510070485.db2.gz GFYIPHVAXXPTLM-AWEZNQCLSA-N -1 3 362.407 2.965 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1[N+](=O)[O-] ZINC000187180292 510105694 /nfs/dbraw/zinc/10/56/94/510105694.db2.gz AQAAZLYCHZDCGX-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000193895842 510117625 /nfs/dbraw/zinc/11/76/25/510117625.db2.gz DOQCZPOPERJWJQ-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000268997183 510184427 /nfs/dbraw/zinc/18/44/27/510184427.db2.gz KVMSUJMDGUJVQH-UHFFFAOYSA-N -1 3 356.382 2.859 20 5 FFBDHM COc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc([N+](=O)[O-])c1C ZINC000190633027 510251886 /nfs/dbraw/zinc/25/18/86/510251886.db2.gz MJEUHFAATMEYMT-UHFFFAOYSA-N -1 3 357.326 2.851 20 5 FFBDHM COc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc([N+](=O)[O-])c1C ZINC000190633027 510251894 /nfs/dbraw/zinc/25/18/94/510251894.db2.gz MJEUHFAATMEYMT-UHFFFAOYSA-N -1 3 357.326 2.851 20 5 FFBDHM COc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc([N+](=O)[O-])c1C ZINC000190633027 510251897 /nfs/dbraw/zinc/25/18/97/510251897.db2.gz MJEUHFAATMEYMT-UHFFFAOYSA-N -1 3 357.326 2.851 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccccc1OC(F)F ZINC000190914278 510412867 /nfs/dbraw/zinc/41/28/67/510412867.db2.gz OAWBYLZZBWXWSU-UHFFFAOYSA-N -1 3 372.349 2.717 20 5 FFBDHM O=C(NC1CCN(CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178499183 510633506 /nfs/dbraw/zinc/63/35/06/510633506.db2.gz WGCXIGTUSLEZSU-UHFFFAOYSA-N -1 3 369.421 2.737 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c(Cl)c1 ZINC000282304874 510922900 /nfs/dbraw/zinc/92/29/00/510922900.db2.gz MJOOPPJDQKUNGG-CQSZACIVSA-N -1 3 374.846 2.876 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOC[C@@H]2C)c1 ZINC000285569716 510960520 /nfs/dbraw/zinc/96/05/20/510960520.db2.gz KFESPLGVCYTNKR-QWRGUYRKSA-N -1 3 362.835 2.508 20 5 FFBDHM CCOC(=O)c1csc([N-]C(=O)c2cc(OCC)ccc2[N+](=O)[O-])n1 ZINC000282607941 511044303 /nfs/dbraw/zinc/04/43/03/511044303.db2.gz GZDVCSIVLFRCJL-UHFFFAOYSA-N -1 3 365.367 2.879 20 5 FFBDHM C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1Cc1ccccc1 ZINC000311878584 511780332 /nfs/dbraw/zinc/78/03/32/511780332.db2.gz VJBXAWBVVVONQR-XJKSGUPXSA-N -1 3 355.394 2.693 20 5 FFBDHM CN(C)CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000350635764 511855998 /nfs/dbraw/zinc/85/59/98/511855998.db2.gz IHHVJEIQMVCEHU-UHFFFAOYSA-N -1 3 370.365 2.958 20 5 FFBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000371606802 512490398 /nfs/dbraw/zinc/49/03/98/512490398.db2.gz LSHKXNMPJVSRPY-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000367455845 512506618 /nfs/dbraw/zinc/50/66/18/512506618.db2.gz LJFULFXCSDEOAC-UHFFFAOYSA-N -1 3 371.802 2.594 20 5 FFBDHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000371854440 512603929 /nfs/dbraw/zinc/60/39/29/512603929.db2.gz XHYSKFPNIUGJRP-ZDUSSCGKSA-N -1 3 353.425 2.716 20 5 FFBDHM O=C([N-]Cc1cccnc1-n1ccnc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000368059175 512784850 /nfs/dbraw/zinc/78/48/50/512784850.db2.gz JQGMAHSCRRTFMQ-UHFFFAOYSA-N -1 3 373.319 2.584 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000389992429 512904608 /nfs/dbraw/zinc/90/46/08/512904608.db2.gz OWELPSBOBNEHHG-CJNGLKHVSA-N -1 3 355.394 2.551 20 5 FFBDHM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000433733016 513138712 /nfs/dbraw/zinc/13/87/12/513138712.db2.gz KCSJTXDTGLVMQU-UHFFFAOYSA-N -1 3 372.443 2.717 20 5 FFBDHM Cc1c2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc2nn1C ZINC000428599340 513139019 /nfs/dbraw/zinc/13/90/19/513139019.db2.gz LCXRDRKJFYMVGI-UHFFFAOYSA-N -1 3 350.338 2.919 20 5 FFBDHM CCCOc1cccnc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000428739129 513179156 /nfs/dbraw/zinc/17/91/56/513179156.db2.gz QEIHMGFFAINHTD-UHFFFAOYSA-N -1 3 359.338 2.818 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000446486636 513269582 /nfs/dbraw/zinc/26/95/82/513269582.db2.gz WRKFNHXDGVKDEG-UHFFFAOYSA-N -1 3 372.381 2.550 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CC(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000447754132 513562063 /nfs/dbraw/zinc/56/20/63/513562063.db2.gz PTFNQNJFFPTYLX-UHFFFAOYSA-N -1 3 362.423 2.949 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000442777247 513778357 /nfs/dbraw/zinc/77/83/57/513778357.db2.gz CZIQJFGMIFCXFQ-QWRGUYRKSA-N -1 3 360.407 2.990 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 ZINC000436181181 513786438 /nfs/dbraw/zinc/78/64/38/513786438.db2.gz RSNAZWKLHYSTKU-CQSZACIVSA-N -1 3 368.386 2.708 20 5 FFBDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OC ZINC000451673441 513904014 /nfs/dbraw/zinc/90/40/14/513904014.db2.gz KSFDYYDGGMSBNI-CABZTGNLSA-N -1 3 350.824 2.588 20 5 FFBDHM CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436751636 513966933 /nfs/dbraw/zinc/96/69/33/513966933.db2.gz UDEKNDHBPUOIQI-UHFFFAOYSA-N -1 3 373.413 2.542 20 5 FFBDHM COc1cc(C[NH2+]C[C@H](Cc2cccc(C)c2)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000426656035 514007101 /nfs/dbraw/zinc/00/71/01/514007101.db2.gz VYJLNWYUSSZQTB-HNNXBMFYSA-N -1 3 374.393 2.651 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c([O-])cccc1O ZINC000436863190 514013532 /nfs/dbraw/zinc/01/35/32/514013532.db2.gz JJFZIKUFZXZBTA-UHFFFAOYSA-N -1 3 356.256 2.955 20 5 FFBDHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1cccc([N+](=O)[O-])c1 ZINC000426746703 514031308 /nfs/dbraw/zinc/03/13/08/514031308.db2.gz ZIZPFKIJHGBVFC-QGZVFWFLSA-N -1 3 355.394 2.590 20 5 FFBDHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443939994 514076759 /nfs/dbraw/zinc/07/67/59/514076759.db2.gz DYANPOUSGSFZAA-QPUJVOFHSA-N -1 3 370.349 2.859 20 5 FFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1CN(C)C ZINC000414465240 514133950 /nfs/dbraw/zinc/13/39/50/514133950.db2.gz QGLOWAKQJOLSJE-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(ccc(F)c3F)s2)n1 ZINC000427384448 514199490 /nfs/dbraw/zinc/19/94/90/514199490.db2.gz ODQMENNFRUNRJT-UHFFFAOYSA-N -1 3 353.310 2.951 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)c([N+](=O)[O-])c1 ZINC000420705955 514251702 /nfs/dbraw/zinc/25/17/02/514251702.db2.gz KROWBAOAMCRLQY-LBPRGKRZSA-N -1 3 356.469 2.715 20 5 FFBDHM COC(=O)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000449756247 514339220 /nfs/dbraw/zinc/33/92/20/514339220.db2.gz PFAPLIYTRKFGNX-IAGOWNOFSA-N -1 3 356.378 2.689 20 5 FFBDHM Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000497759882 514628842 /nfs/dbraw/zinc/62/88/42/514628842.db2.gz VLHUZMVCOFEADW-UHFFFAOYSA-N -1 3 374.422 2.809 20 5 FFBDHM CCOc1cc(N2CCN(Cc3nc(C)ccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000475496755 514689236 /nfs/dbraw/zinc/68/92/36/514689236.db2.gz PJYVXPKUUFFCAF-UHFFFAOYSA-N -1 3 372.425 2.725 20 5 FFBDHM Cc1cc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c(F)cc1[N+](=O)[O-] ZINC000461786067 514737645 /nfs/dbraw/zinc/73/76/45/514737645.db2.gz OZZZINNPEUAIRJ-SFHVURJKSA-N -1 3 372.356 2.709 20 5 FFBDHM COc1cc(CNc2cn(Cc3ccccc3)nn2)c([N+](=O)[O-])cc1[O-] ZINC000508456391 514785151 /nfs/dbraw/zinc/78/51/51/514785151.db2.gz CHEBNURRKXQNSI-UHFFFAOYSA-N -1 3 355.354 2.561 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CCOCC1 ZINC000466918933 514826780 /nfs/dbraw/zinc/82/67/80/514826780.db2.gz VNHFMBJCQXFEKB-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000467067255 514884212 /nfs/dbraw/zinc/88/42/12/514884212.db2.gz ZRXXOAMHNKCKPC-PWSUYJOCSA-N -1 3 362.473 2.837 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2nnc(C(F)(F)F)[n-]2)c(Br)c1 ZINC000480283888 514907280 /nfs/dbraw/zinc/90/72/80/514907280.db2.gz AECPNKZDJQDZRA-UHFFFAOYSA-N -1 3 367.085 2.501 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2n[n-]c(C(F)(F)F)n2)c(Br)c1 ZINC000480283888 514907291 /nfs/dbraw/zinc/90/72/91/514907291.db2.gz AECPNKZDJQDZRA-UHFFFAOYSA-N -1 3 367.085 2.501 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2nc(C(F)(F)F)n[n-]2)c(Br)c1 ZINC000480283888 514907298 /nfs/dbraw/zinc/90/72/98/514907298.db2.gz AECPNKZDJQDZRA-UHFFFAOYSA-N -1 3 367.085 2.501 20 5 FFBDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000489684981 514938645 /nfs/dbraw/zinc/93/86/45/514938645.db2.gz KOLHIIJVZKOJNH-MRVPVSSYSA-N -1 3 363.233 2.682 20 5 FFBDHM COC1CCC(C)(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000480405389 514945280 /nfs/dbraw/zinc/94/52/80/514945280.db2.gz BHEIKRUMHFPZCL-UHFFFAOYSA-N -1 3 356.444 2.777 20 5 FFBDHM CSc1cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])ccn1 ZINC000480715545 515056042 /nfs/dbraw/zinc/05/60/42/515056042.db2.gz PDXVVFPEYXGEGM-UHFFFAOYSA-N -1 3 367.452 2.807 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCSCC(F)(F)F)c1[N+](=O)[O-] ZINC000480715560 515057206 /nfs/dbraw/zinc/05/72/06/515057206.db2.gz PEYQEGAJQWJLPN-UHFFFAOYSA-N -1 3 372.390 2.785 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000462485646 515077380 /nfs/dbraw/zinc/07/73/80/515077380.db2.gz OEMCPCOZMGMABJ-SWLSCSKDSA-N -1 3 350.371 2.643 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000462490363 515083878 /nfs/dbraw/zinc/08/38/78/515083878.db2.gz MJJYLMOQWBABPU-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000462490363 515083885 /nfs/dbraw/zinc/08/38/85/515083885.db2.gz MJJYLMOQWBABPU-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000480863424 515114018 /nfs/dbraw/zinc/11/40/18/515114018.db2.gz LJBZDKUXUKYITI-CYBMUJFWSA-N -1 3 354.428 2.755 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1C ZINC000472210587 515170950 /nfs/dbraw/zinc/17/09/50/515170950.db2.gz XFEBDTQFYIYCFS-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000490518369 515236284 /nfs/dbraw/zinc/23/62/84/515236284.db2.gz AMKXMUNHIKIHQX-UHFFFAOYSA-N -1 3 367.427 2.939 20 5 FFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000481335470 515294759 /nfs/dbraw/zinc/29/47/59/515294759.db2.gz FDWOKXQOIRQLQG-AAEUAGOBSA-N -1 3 360.457 2.556 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000499695059 515414641 /nfs/dbraw/zinc/41/46/41/515414641.db2.gz XIASWTRFCKNFFP-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM COC(=O)c1sc2[n-]c(-c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000486431233 515481218 /nfs/dbraw/zinc/48/12/18/515481218.db2.gz GLHPAXXCTKJTKZ-UHFFFAOYSA-N -1 3 359.363 2.963 20 5 FFBDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000486654625 515581490 /nfs/dbraw/zinc/58/14/90/515581490.db2.gz SJMQTFQBAWBLRU-QWRGUYRKSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]1 ZINC000486654625 515581501 /nfs/dbraw/zinc/58/15/01/515581501.db2.gz SJMQTFQBAWBLRU-QWRGUYRKSA-N -1 3 367.431 2.574 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)CC1 ZINC000469004051 515624039 /nfs/dbraw/zinc/62/40/39/515624039.db2.gz QVIOUMNKQZMUQN-VXGBXAGGSA-N -1 3 370.427 2.629 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457141182 515682683 /nfs/dbraw/zinc/68/26/83/515682683.db2.gz GWBZJYSHMYXDQG-UHFFFAOYSA-N -1 3 370.394 2.898 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])[n-]c21 ZINC000494131052 515743540 /nfs/dbraw/zinc/74/35/40/515743540.db2.gz OQZWPEUVULDAMI-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)ccc3[N+](=O)[O-])nc21 ZINC000494131052 515743549 /nfs/dbraw/zinc/74/35/49/515743549.db2.gz OQZWPEUVULDAMI-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000474186878 515924519 /nfs/dbraw/zinc/92/45/19/515924519.db2.gz AGFWUSFVNMAFEU-OAHLLOKOSA-N -1 3 374.434 2.998 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000474297219 515978088 /nfs/dbraw/zinc/97/80/88/515978088.db2.gz BETFAUDKIPUSJD-GFCCVEGCSA-N -1 3 368.798 2.969 20 5 FFBDHM COc1c(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)cccc1[N+](=O)[O-] ZINC000479365254 516166884 /nfs/dbraw/zinc/16/68/84/516166884.db2.gz NOYURCCBHDHZLM-UHFFFAOYSA-N -1 3 357.301 2.780 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2noc3ccccc32)c1C ZINC000470244214 516183099 /nfs/dbraw/zinc/18/30/99/516183099.db2.gz VPTXZIKHJLPPLV-UHFFFAOYSA-N -1 3 361.379 2.831 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000479405041 516183459 /nfs/dbraw/zinc/18/34/59/516183459.db2.gz HBHDHBZBQDBQGI-GXTWGEPZSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000512385033 516259099 /nfs/dbraw/zinc/25/90/99/516259099.db2.gz AAGBUMMBOVKZTP-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000524290193 516686159 /nfs/dbraw/zinc/68/61/59/516686159.db2.gz PQRFUHDEQCFOBL-GFCCVEGCSA-N -1 3 352.416 2.720 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000525150257 516932324 /nfs/dbraw/zinc/93/23/24/516932324.db2.gz QVMKSQHVYWUQER-UHFFFAOYSA-N -1 3 364.383 2.777 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000525150257 516932330 /nfs/dbraw/zinc/93/23/30/516932330.db2.gz QVMKSQHVYWUQER-UHFFFAOYSA-N -1 3 364.383 2.777 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCCC(C)(C)C ZINC000541328790 516993457 /nfs/dbraw/zinc/99/34/57/516993457.db2.gz SWGXXZMIFBZLJN-UHFFFAOYSA-N -1 3 372.443 2.876 20 5 FFBDHM CN(Cc1nc(-c2ccc3n[n-]nc3c2)no1)c1ccccc1[N+](=O)[O-] ZINC000562321942 517030374 /nfs/dbraw/zinc/03/03/74/517030374.db2.gz HFFZFEIQYHPCPA-UHFFFAOYSA-N -1 3 351.326 2.553 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000545234703 517121584 /nfs/dbraw/zinc/12/15/84/517121584.db2.gz IHCCUASHOAWILQ-VIFPVBQESA-N -1 3 358.445 2.782 20 5 FFBDHM Cc1ncc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000532855731 517170377 /nfs/dbraw/zinc/17/03/77/517170377.db2.gz YLNMCWFUXSXLBH-UHFFFAOYSA-N -1 3 355.441 2.661 20 5 FFBDHM CN1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000515654459 517436593 /nfs/dbraw/zinc/43/65/93/517436593.db2.gz SIEKMXPSMWEEJR-ZWNOBZJWSA-N -1 3 353.806 2.510 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2Cl)c(F)c1 ZINC000520896481 517545572 /nfs/dbraw/zinc/54/55/72/517545572.db2.gz XDVGIZGJFNKGHV-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000560791194 518030276 /nfs/dbraw/zinc/03/02/76/518030276.db2.gz AFWVYIKBKLFIGZ-UHFFFAOYSA-N -1 3 373.365 2.552 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1nccs1 ZINC000517265079 518097877 /nfs/dbraw/zinc/09/78/77/518097877.db2.gz KABRKKDJQSWXNF-UHFFFAOYSA-N -1 3 361.832 2.616 20 5 FFBDHM CNc1ccc(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)cc1[N+](=O)[O-] ZINC000535017256 518123783 /nfs/dbraw/zinc/12/37/83/518123783.db2.gz PLCJQDHQMROFIY-UHFFFAOYSA-N -1 3 369.337 2.552 20 5 FFBDHM CNc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1[N+](=O)[O-] ZINC000535017256 518123788 /nfs/dbraw/zinc/12/37/88/518123788.db2.gz PLCJQDHQMROFIY-UHFFFAOYSA-N -1 3 369.337 2.552 20 5 FFBDHM Cn1ccc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc2c1=O ZINC000569718103 518255543 /nfs/dbraw/zinc/25/55/43/518255543.db2.gz WXURGKVNMAPXTD-UHFFFAOYSA-N -1 3 363.333 2.575 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000564220281 518357504 /nfs/dbraw/zinc/35/75/04/518357504.db2.gz HTQQJIZGIISOAR-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=C([O-])Cc1ccc(NCC2CCN(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000582183942 518628937 /nfs/dbraw/zinc/62/89/37/518628937.db2.gz GGXZDPYNLTWGAJ-UHFFFAOYSA-N -1 3 370.409 2.945 20 5 FFBDHM Cc1cc(N2CCN(C)[C@@H](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582423017 518746542 /nfs/dbraw/zinc/74/65/42/518746542.db2.gz DCSCNVRGQSUHMY-KRWDZBQOSA-N -1 3 369.421 2.965 20 5 FFBDHM Cc1cc(C(=O)NCC(=O)Nc2c([O-])cccc2Cl)ccc1[N+](=O)[O-] ZINC000570731950 518752559 /nfs/dbraw/zinc/75/25/59/518752559.db2.gz NBFXBIYIZQZOHZ-UHFFFAOYSA-N -1 3 363.757 2.631 20 5 FFBDHM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000565661709 519070291 /nfs/dbraw/zinc/07/02/91/519070291.db2.gz UJKAGMUVYVUNGK-OAHLLOKOSA-N -1 3 355.394 2.647 20 5 FFBDHM Cc1cc(N2CCN(CCc3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583443367 519250897 /nfs/dbraw/zinc/25/08/97/519250897.db2.gz KJRJABOLRVDOHD-UHFFFAOYSA-N -1 3 369.421 2.966 20 5 FFBDHM CCC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCN1CCOC ZINC000566290593 519415598 /nfs/dbraw/zinc/41/55/98/519415598.db2.gz AEMXTKXEUMENEX-AWEZNQCLSA-N -1 3 365.430 2.539 20 5 FFBDHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000583763522 519423057 /nfs/dbraw/zinc/42/30/57/519423057.db2.gz AUHRUMZFFWCMDR-NWDGAFQWSA-N -1 3 368.436 2.808 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1[N+](=O)[O-] ZINC000569421875 519538152 /nfs/dbraw/zinc/53/81/52/519538152.db2.gz FKJKEBZYYUEUJY-APHBMKBZSA-N -1 3 368.455 2.694 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)cc1C ZINC000594475244 519985477 /nfs/dbraw/zinc/98/54/77/519985477.db2.gz UBNUMHNPXZLRFU-RDJZCZTQSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@H]23)c1C ZINC000594484043 519992673 /nfs/dbraw/zinc/99/26/73/519992673.db2.gz QERPHDQMDQERJK-LSDHHAIUSA-N -1 3 367.471 2.507 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c1 ZINC000594801772 520164921 /nfs/dbraw/zinc/16/49/21/520164921.db2.gz GISRCQJNHLUDTI-UFBFGSQYSA-N -1 3 361.217 2.578 20 5 FFBDHM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2ccccc2F)n1 ZINC000609092033 520187797 /nfs/dbraw/zinc/18/77/97/520187797.db2.gz PAMQZLMKYOBSLL-UHFFFAOYSA-N -1 3 370.344 2.960 20 5 FFBDHM Cn1c([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])nnc1C1CC1 ZINC000597899268 520314077 /nfs/dbraw/zinc/31/40/77/520314077.db2.gz ZBBUBXVNHROICZ-UHFFFAOYSA-N -1 3 355.276 2.872 20 5 FFBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000609465882 520322059 /nfs/dbraw/zinc/32/20/59/520322059.db2.gz JKHJKBSFGJITBI-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000595381716 520438876 /nfs/dbraw/zinc/43/88/76/520438876.db2.gz ZBPIPBWOOPYSFV-BYCMXARLSA-N -1 3 368.411 2.720 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1CN1CCCC1 ZINC000592757165 520562627 /nfs/dbraw/zinc/56/26/27/520562627.db2.gz JPQHHNWYMIBGMW-GFCCVEGCSA-N -1 3 353.806 2.654 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(OC)c(OC)c1 ZINC000610188149 520572454 /nfs/dbraw/zinc/57/24/54/520572454.db2.gz ZHOSVLOHJHELHA-UHFFFAOYSA-N -1 3 366.351 2.712 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610265812 520610859 /nfs/dbraw/zinc/61/08/59/520610859.db2.gz LOMTYAQQBRJVKI-CQSZACIVSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1cc(NCCCN2CCCO[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592977438 520669056 /nfs/dbraw/zinc/66/90/56/520669056.db2.gz CDZNKLQGWWWCET-CYBMUJFWSA-N -1 3 351.403 2.514 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000598603681 520737699 /nfs/dbraw/zinc/73/76/99/520737699.db2.gz YSYHDOXVLIFIRQ-OAHLLOKOSA-N -1 3 364.423 2.878 20 5 FFBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C(C)C)n1 ZINC000593231913 520845588 /nfs/dbraw/zinc/84/55/88/520845588.db2.gz LQRZFNJCMHQNSA-UHFFFAOYSA-N -1 3 365.415 2.758 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)nc1 ZINC000593542824 521064481 /nfs/dbraw/zinc/06/44/81/521064481.db2.gz JXYSJSBEFWUKMY-MRXNPFEDSA-N -1 3 365.386 2.949 20 5 FFBDHM CCC1(O)CCC([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000611314194 521093709 /nfs/dbraw/zinc/09/37/09/521093709.db2.gz ZJANAQKTDRVTAQ-UHFFFAOYSA-N -1 3 356.444 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)nc1 ZINC000593592584 521096149 /nfs/dbraw/zinc/09/61/49/521096149.db2.gz WBTVDBVEVRDGJG-JSGCOSHPSA-N -1 3 365.386 2.744 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3F)CCC2)nc1 ZINC000593617238 521109325 /nfs/dbraw/zinc/10/93/25/521109325.db2.gz TZDONPPDHJRISY-UHFFFAOYSA-N -1 3 365.386 2.529 20 5 FFBDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000593748510 521191670 /nfs/dbraw/zinc/19/16/70/521191670.db2.gz OEVRESSYGLGCBT-ZDUSSCGKSA-N -1 3 374.397 2.968 20 5 FFBDHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618867431 521270160 /nfs/dbraw/zinc/27/01/60/521270160.db2.gz BHNVKDPNHDGGGG-UHFFFAOYSA-N -1 3 370.409 2.853 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000619477647 521588393 /nfs/dbraw/zinc/58/83/93/521588393.db2.gz SDMNWEBTPUVUBB-PWSUYJOCSA-N -1 3 366.395 2.798 20 5 FFBDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489818 521595000 /nfs/dbraw/zinc/59/50/00/521595000.db2.gz PDBQUQXOQKGOFP-YPMHNXCESA-N -1 3 374.484 2.946 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1ncc(C)s1 ZINC000619489907 521595262 /nfs/dbraw/zinc/59/52/62/521595262.db2.gz ZTGIUVQUFUTXOB-UHFFFAOYSA-N -1 3 371.440 2.582 20 5 FFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619496712 521598124 /nfs/dbraw/zinc/59/81/24/521598124.db2.gz FOFDRCLGHYFOOX-MRVPVSSYSA-N -1 3 356.322 2.613 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000619498976 521598280 /nfs/dbraw/zinc/59/82/80/521598280.db2.gz WGUYGSSGZFGKHF-UHFFFAOYSA-N -1 3 361.379 2.563 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000619796286 521876710 /nfs/dbraw/zinc/87/67/10/521876710.db2.gz GAOIPFIQFOWMJX-PEGIJTEDSA-N -1 3 362.473 2.837 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCc2ccc(F)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000738373844 598831293 /nfs/dbraw/zinc/83/12/93/598831293.db2.gz HYINMIXVEWLVQP-UHFFFAOYSA-N -1 3 363.740 2.617 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCc2ccc(F)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000738373844 598831294 /nfs/dbraw/zinc/83/12/94/598831294.db2.gz HYINMIXVEWLVQP-UHFFFAOYSA-N -1 3 363.740 2.617 20 5 FFBDHM COC(C)(C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821672363 599046054 /nfs/dbraw/zinc/04/60/54/599046054.db2.gz IECAVUYZQOBRMB-SNVBAGLBSA-N -1 3 371.401 2.939 20 5 FFBDHM COC(C)(C)C[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821672363 599046057 /nfs/dbraw/zinc/04/60/57/599046057.db2.gz IECAVUYZQOBRMB-SNVBAGLBSA-N -1 3 371.401 2.939 20 5 FFBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000823645522 599059210 /nfs/dbraw/zinc/05/92/10/599059210.db2.gz SUDGKLATSDSIPL-UHFFFAOYSA-N -1 3 362.302 2.973 20 5 FFBDHM O=[N+]([O-])c1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000823645522 599059213 /nfs/dbraw/zinc/05/92/13/599059213.db2.gz SUDGKLATSDSIPL-UHFFFAOYSA-N -1 3 362.302 2.973 20 5 FFBDHM CC(C)OCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820142483 607302741 /nfs/dbraw/zinc/30/27/41/607302741.db2.gz NAEZEIOYLHJEMO-UHFFFAOYSA-N -1 3 357.374 2.550 20 5 FFBDHM CC(C)OCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820142483 607302742 /nfs/dbraw/zinc/30/27/42/607302742.db2.gz NAEZEIOYLHJEMO-UHFFFAOYSA-N -1 3 357.374 2.550 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](c2ccccc2F)C1 ZINC000738357652 598428183 /nfs/dbraw/zinc/42/81/83/598428183.db2.gz HPPVVUBBQUMRQF-GFCCVEGCSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](c2ccccc2F)C1 ZINC000738357652 598428185 /nfs/dbraw/zinc/42/81/85/598428185.db2.gz HPPVVUBBQUMRQF-GFCCVEGCSA-N -1 3 354.345 2.908 20 5 FFBDHM CC(C)N(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000735859040 598500093 /nfs/dbraw/zinc/50/00/93/598500093.db2.gz LVWRMKSPXAAJKI-UHFFFAOYSA-N -1 3 372.364 2.897 20 5 FFBDHM CC(C)N(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000735859040 598500095 /nfs/dbraw/zinc/50/00/95/598500095.db2.gz LVWRMKSPXAAJKI-UHFFFAOYSA-N -1 3 372.364 2.897 20 5 FFBDHM CSCCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737183036 598500718 /nfs/dbraw/zinc/50/07/18/598500718.db2.gz XVKMMTGATZOCDB-UHFFFAOYSA-N -1 3 357.399 2.819 20 5 FFBDHM CSCCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000737183036 598500719 /nfs/dbraw/zinc/50/07/19/598500719.db2.gz XVKMMTGATZOCDB-UHFFFAOYSA-N -1 3 357.399 2.819 20 5 FFBDHM CN(CCOc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821605208 599328090 /nfs/dbraw/zinc/32/80/90/599328090.db2.gz ZLQTXBOQJREENB-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM CN(CCOc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821605208 599328093 /nfs/dbraw/zinc/32/80/93/599328093.db2.gz ZLQTXBOQJREENB-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM CSC(C)(C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821949924 599361481 /nfs/dbraw/zinc/36/14/81/599361481.db2.gz JVZQNVBIKKCAAK-UHFFFAOYSA-N -1 3 359.415 2.877 20 5 FFBDHM CSC(C)(C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821949924 599361484 /nfs/dbraw/zinc/36/14/84/599361484.db2.gz JVZQNVBIKKCAAK-UHFFFAOYSA-N -1 3 359.415 2.877 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820174698 607406787 /nfs/dbraw/zinc/40/67/87/607406787.db2.gz WGEGWMRKPCSJMQ-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820174698 607406788 /nfs/dbraw/zinc/40/67/88/607406788.db2.gz WGEGWMRKPCSJMQ-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000826254510 607445807 /nfs/dbraw/zinc/44/58/07/607445807.db2.gz PAMQJEJBLOWBAA-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000826254510 607445809 /nfs/dbraw/zinc/44/58/09/607445809.db2.gz PAMQJEJBLOWBAA-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM COc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826214749 607525594 /nfs/dbraw/zinc/52/55/94/607525594.db2.gz WAAXXCQBCNEPRZ-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826214749 607525596 /nfs/dbraw/zinc/52/55/96/607525596.db2.gz WAAXXCQBCNEPRZ-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM O=C([O-])N1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000738638371 602875862 /nfs/dbraw/zinc/87/58/62/602875862.db2.gz GQDVIBGAYTVHIH-UHFFFAOYSA-N -1 3 362.411 2.950 20 5 FFBDHM Cc1c(CC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236403 607698326 /nfs/dbraw/zinc/69/83/26/607698326.db2.gz KOAKSHUOFLCNOF-GFCCVEGCSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1c(CC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236403 607698328 /nfs/dbraw/zinc/69/83/28/607698328.db2.gz KOAKSHUOFLCNOF-GFCCVEGCSA-N -1 3 366.381 2.503 20 5 FFBDHM C[C@]1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833568721 604812548 /nfs/dbraw/zinc/81/25/48/604812548.db2.gz IBDMJZVDKLDCLS-GUYCJALGSA-N -1 3 360.370 2.768 20 5 FFBDHM C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820397776 606116994 /nfs/dbraw/zinc/11/69/94/606116994.db2.gz SXHWAPHDHPNPQO-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820397776 606116996 /nfs/dbraw/zinc/11/69/96/606116996.db2.gz SXHWAPHDHPNPQO-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823431531 606151338 /nfs/dbraw/zinc/15/13/38/606151338.db2.gz QNRHWWMYTWMNOE-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823431531 606151339 /nfs/dbraw/zinc/15/13/39/606151339.db2.gz QNRHWWMYTWMNOE-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821845974 606355450 /nfs/dbraw/zinc/35/54/50/606355450.db2.gz MWURRJXSFMHLDS-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821845974 606355452 /nfs/dbraw/zinc/35/54/52/606355452.db2.gz MWURRJXSFMHLDS-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM Cc1cc(C)c(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000822194214 606495217 /nfs/dbraw/zinc/49/52/17/606495217.db2.gz NOOYUGQCOMEGKF-UHFFFAOYSA-N -1 3 353.338 2.540 20 5 FFBDHM Cc1cc(C)c(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000822194214 606495218 /nfs/dbraw/zinc/49/52/18/606495218.db2.gz NOOYUGQCOMEGKF-UHFFFAOYSA-N -1 3 353.338 2.540 20 5 FFBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823413436 606567760 /nfs/dbraw/zinc/56/77/60/606567760.db2.gz HNICFQGDXBVGLK-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823413436 606567761 /nfs/dbraw/zinc/56/77/61/606567761.db2.gz HNICFQGDXBVGLK-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM Cc1ccccc1OCCN(C)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822366622 606644932 /nfs/dbraw/zinc/64/49/32/606644932.db2.gz PVGGRCIFHCSQCT-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1nc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000822449627 606703505 /nfs/dbraw/zinc/70/35/05/606703505.db2.gz HQNXKZOGBPOFSP-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM Cc1nc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000822449627 606703507 /nfs/dbraw/zinc/70/35/07/606703507.db2.gz HQNXKZOGBPOFSP-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM C[C@]1(c2ccccc2)CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000820636564 606728423 /nfs/dbraw/zinc/72/84/23/606728423.db2.gz UFUDJIOKSZMYAP-SFHVURJKSA-N -1 3 350.382 2.943 20 5 FFBDHM C[C@]1(c2ccccc2)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000820636564 606728424 /nfs/dbraw/zinc/72/84/24/606728424.db2.gz UFUDJIOKSZMYAP-SFHVURJKSA-N -1 3 350.382 2.943 20 5 FFBDHM CCOC(=O)c1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821337551 606938081 /nfs/dbraw/zinc/93/80/81/606938081.db2.gz JMQCKJXLRZXEGB-UHFFFAOYSA-N -1 3 368.353 2.564 20 5 FFBDHM CCOC(=O)c1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821337551 606938083 /nfs/dbraw/zinc/93/80/83/606938083.db2.gz JMQCKJXLRZXEGB-UHFFFAOYSA-N -1 3 368.353 2.564 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000822270862 607024770 /nfs/dbraw/zinc/02/47/70/607024770.db2.gz ASWPQTWNLXTFSX-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000822270862 607024772 /nfs/dbraw/zinc/02/47/72/607024772.db2.gz ASWPQTWNLXTFSX-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM CCc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821476884 607085674 /nfs/dbraw/zinc/08/56/74/607085674.db2.gz SUQVSLFDOHKCEZ-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM CCc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821476884 607085675 /nfs/dbraw/zinc/08/56/75/607085675.db2.gz SUQVSLFDOHKCEZ-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000823032124 607158843 /nfs/dbraw/zinc/15/88/43/607158843.db2.gz NNZNZXRULGCTLJ-UHFFFAOYSA-N -1 3 359.729 2.690 20 5 FFBDHM O=C(COc1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000823032124 607158844 /nfs/dbraw/zinc/15/88/44/607158844.db2.gz NNZNZXRULGCTLJ-UHFFFAOYSA-N -1 3 359.729 2.690 20 5 FFBDHM O=C(c1cccc(-c2nnn[n-]2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823488956 607193778 /nfs/dbraw/zinc/19/37/78/607193778.db2.gz ZKUUZJUXAJHACA-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM O=C(c1cccc(-c2nn[n-]n2)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823488956 607193779 /nfs/dbraw/zinc/19/37/79/607193779.db2.gz ZKUUZJUXAJHACA-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1[N+](=O)[O-] ZINC000822284520 607243905 /nfs/dbraw/zinc/24/39/05/607243905.db2.gz SKRYIAACQPTGHM-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1[N+](=O)[O-] ZINC000822284520 607243906 /nfs/dbraw/zinc/24/39/06/607243906.db2.gz SKRYIAACQPTGHM-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=[N+]([O-])c1ccc(CSC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826497966 607816475 /nfs/dbraw/zinc/81/64/75/607816475.db2.gz AXHHMOJJRZXAMJ-OAHLLOKOSA-N -1 3 357.395 2.742 20 5 FFBDHM O=[N+]([O-])c1ccc(CSC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826497966 607816476 /nfs/dbraw/zinc/81/64/76/607816476.db2.gz AXHHMOJJRZXAMJ-OAHLLOKOSA-N -1 3 357.395 2.742 20 5 FFBDHM O=[N+]([O-])c1ccc(N(Cc2ccc(O)cc2)CC2CC2)c(-c2nnn[n-]2)c1 ZINC000826498447 608017327 /nfs/dbraw/zinc/01/73/27/608017327.db2.gz VFDIKSCSWLODAM-UHFFFAOYSA-N -1 3 366.381 2.897 20 5 FFBDHM O=[N+]([O-])c1ccc(N(Cc2ccc(O)cc2)CC2CC2)c(-c2nn[n-]n2)c1 ZINC000826498447 608017328 /nfs/dbraw/zinc/01/73/28/608017328.db2.gz VFDIKSCSWLODAM-UHFFFAOYSA-N -1 3 366.381 2.897 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826497498 608098917 /nfs/dbraw/zinc/09/89/17/608098917.db2.gz JFNVIKINPPNJBF-RAIGVLPGSA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000826497498 608098918 /nfs/dbraw/zinc/09/89/18/608098918.db2.gz JFNVIKINPPNJBF-RAIGVLPGSA-N -1 3 364.456 2.566 20 5 FFBDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826158905 608180859 /nfs/dbraw/zinc/18/08/59/608180859.db2.gz IAESEANEAONGNX-UHFFFAOYSA-N -1 3 368.397 2.736 20 5 FFBDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(C)c1 ZINC000826158905 608180861 /nfs/dbraw/zinc/18/08/61/608180861.db2.gz IAESEANEAONGNX-UHFFFAOYSA-N -1 3 368.397 2.736 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826400837 608437285 /nfs/dbraw/zinc/43/72/85/608437285.db2.gz JMPQBXNXSMFVIP-TWGQIWQCSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826400837 608437287 /nfs/dbraw/zinc/43/72/87/608437287.db2.gz JMPQBXNXSMFVIP-TWGQIWQCSA-N -1 3 369.312 2.671 20 5 FFBDHM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000824342645 608539527 /nfs/dbraw/zinc/53/95/27/608539527.db2.gz ROGPGZSJGPTHMJ-ZDUSSCGKSA-N -1 3 362.390 2.553 20 5 FFBDHM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000824342645 608539528 /nfs/dbraw/zinc/53/95/28/608539528.db2.gz ROGPGZSJGPTHMJ-ZDUSSCGKSA-N -1 3 362.390 2.553 20 5 FFBDHM Cc1c(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826242471 608573577 /nfs/dbraw/zinc/57/35/77/608573577.db2.gz QFAXOUYUYZYHBE-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826242471 608573578 /nfs/dbraw/zinc/57/35/78/608573578.db2.gz QFAXOUYUYZYHBE-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM COc1cccc(C2=CCN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000826215587 608585530 /nfs/dbraw/zinc/58/55/30/608585530.db2.gz TZPZTCAMURONER-UHFFFAOYSA-N -1 3 364.365 2.687 20 5 FFBDHM COc1cccc(C2=CCN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000826215587 608585531 /nfs/dbraw/zinc/58/55/31/608585531.db2.gz TZPZTCAMURONER-UHFFFAOYSA-N -1 3 364.365 2.687 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826293330 609466894 /nfs/dbraw/zinc/46/68/94/609466894.db2.gz LEZXLWXAGJXDDR-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826293330 609466896 /nfs/dbraw/zinc/46/68/96/609466896.db2.gz LEZXLWXAGJXDDR-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824907983 609576051 /nfs/dbraw/zinc/57/60/51/609576051.db2.gz LVKAPOBAHQZVBN-RKDXNWHRSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824907983 609576053 /nfs/dbraw/zinc/57/60/53/609576053.db2.gz LVKAPOBAHQZVBN-RKDXNWHRSA-N -1 3 356.308 2.942 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCSc3c(F)cccc32)c(-c2nnn[n-]2)c1 ZINC000826500917 609601210 /nfs/dbraw/zinc/60/12/10/609601210.db2.gz RLCRQANCSRNNHL-LBPRGKRZSA-N -1 3 373.373 2.958 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@H]2CCSc3c(F)cccc32)c(-c2nn[n-]n2)c1 ZINC000826500917 609601212 /nfs/dbraw/zinc/60/12/12/609601212.db2.gz RLCRQANCSRNNHL-LBPRGKRZSA-N -1 3 373.373 2.958 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000123183846 728656206 /nfs/dbraw/zinc/65/62/06/728656206.db2.gz PSZDWFROHZUGCR-AWEZNQCLSA-N -1 3 370.814 2.650 20 5 FFBDHM Cc1cc(C)c(C)c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1C ZINC000125520294 728684566 /nfs/dbraw/zinc/68/45/66/728684566.db2.gz VQNACVCGRUNZDS-UHFFFAOYSA-N -1 3 350.400 2.529 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000193980942 729496094 /nfs/dbraw/zinc/49/60/94/729496094.db2.gz QCBFIJHNTYYHPN-LLVKDONJSA-N -1 3 352.799 2.866 20 5 FFBDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742293777 735221002 /nfs/dbraw/zinc/22/10/02/735221002.db2.gz SNITXNBASOARES-KCJUWKMLSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000903108183 736032298 /nfs/dbraw/zinc/03/22/98/736032298.db2.gz OGLCTLXXHOULCV-NSHDSACASA-N -1 3 369.226 2.929 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000756704045 736353657 /nfs/dbraw/zinc/35/36/57/736353657.db2.gz GHRHZLWRLHNBJQ-UHFFFAOYSA-N -1 3 353.722 2.934 20 5 FFBDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000757422811 736405491 /nfs/dbraw/zinc/40/54/91/736405491.db2.gz ALUGYDVNRPODIK-UHFFFAOYSA-N -1 3 363.757 2.842 20 5 FFBDHM CC(C)(C)OC(=O)NC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000763431575 736937808 /nfs/dbraw/zinc/93/78/08/736937808.db2.gz IQQWOLUIBWIRLN-AWEZNQCLSA-N -1 3 351.403 2.693 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000921845821 738054288 /nfs/dbraw/zinc/05/42/88/738054288.db2.gz ANEBFFMICMKCSF-IAQYHMDHSA-N -1 3 374.846 2.732 20 5 FFBDHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853674561 750132680 /nfs/dbraw/zinc/13/26/80/750132680.db2.gz CSAPWDOZNBNMKL-GHMZBOCLSA-N -1 3 352.391 2.801 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001129733141 948473339 /nfs/dbraw/zinc/47/33/39/948473339.db2.gz QTIFZEGFIQIOKS-QWHCGFSZSA-N -1 3 368.328 2.656 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001129733141 948473342 /nfs/dbraw/zinc/47/33/42/948473342.db2.gz QTIFZEGFIQIOKS-QWHCGFSZSA-N -1 3 368.328 2.656 20 5 FFBDHM Cc1cc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001540505457 948550978 /nfs/dbraw/zinc/55/09/78/948550978.db2.gz FQIJFJIOQRQJOP-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001540505457 948550985 /nfs/dbraw/zinc/55/09/85/948550985.db2.gz FQIJFJIOQRQJOP-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001575509018 949112326 /nfs/dbraw/zinc/11/23/26/949112326.db2.gz BESJUJKZUMIFFL-LLVKDONJSA-N -1 3 352.354 2.608 20 5 FFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001575509018 949112340 /nfs/dbraw/zinc/11/23/40/949112340.db2.gz BESJUJKZUMIFFL-LLVKDONJSA-N -1 3 352.354 2.608 20 5 FFBDHM Nc1ccc2n(-c3ccc(-c4nnn[n-]4)cc3)c3ccccc3cc-2c1=O ZINC001175431821 1013479146 /nfs/dbraw/zinc/47/91/46/1013479146.db2.gz OPFPNOQYQFRKMK-UHFFFAOYSA-N -1 3 354.373 2.858 20 5 FFBDHM Nc1ccc2n(-c3ccc(-c4nn[n-]n4)cc3)c3ccccc3cc-2c1=O ZINC001175431821 1013479152 /nfs/dbraw/zinc/47/91/52/1013479152.db2.gz OPFPNOQYQFRKMK-UHFFFAOYSA-N -1 3 354.373 2.858 20 5 FFBDHM O=c1[n-]ccc(N2Cc3ccccc3OC3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000895571341 970746522 /nfs/dbraw/zinc/74/65/22/970746522.db2.gz ZROUGVRLKVUYSE-UHFFFAOYSA-N -1 3 357.366 2.644 20 5 FFBDHM Cc1ccc(NCCCNC(=O)c2cc3c(cc2[O-])OCO3)c([N+](=O)[O-])c1 ZINC000436907633 980536578 /nfs/dbraw/zinc/53/65/78/980536578.db2.gz GEQZMMFEEKDHCP-UHFFFAOYSA-N -1 3 373.365 2.570 20 5 FFBDHM CCN(CCc1ccccn1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596352278 983812107 /nfs/dbraw/zinc/81/21/07/983812107.db2.gz PPYVCNCZXLPHGD-UHFFFAOYSA-N -1 3 359.382 2.518 20 5 FFBDHM CCN1CCN(c2cccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])c2)CC1 ZINC001596442870 984140890 /nfs/dbraw/zinc/14/08/90/984140890.db2.gz UWFWVZPHFUPNIJ-UHFFFAOYSA-N -1 3 371.397 2.574 20 5 FFBDHM CCO[C@H]1C[C@](NCc2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596839537 985519399 /nfs/dbraw/zinc/51/93/99/985519399.db2.gz UETRSROYPCURLZ-BBRMVZONSA-N -1 3 356.806 2.996 20 5 FFBDHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1[O-] ZINC000745652076 999924259 /nfs/dbraw/zinc/92/42/59/999924259.db2.gz FNXGBDYJEZPEFA-UHFFFAOYSA-N -1 3 374.305 2.518 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001129729266 1003750981 /nfs/dbraw/zinc/75/09/81/1003750981.db2.gz SRMUFAHTTPNJGI-FPYGCLRLSA-N -1 3 354.301 2.566 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001129729266 1003750986 /nfs/dbraw/zinc/75/09/86/1003750986.db2.gz SRMUFAHTTPNJGI-FPYGCLRLSA-N -1 3 354.301 2.566 20 5 FFBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2cnn[n-]2)cc1OC ZINC000805608206 1004087135 /nfs/dbraw/zinc/08/71/35/1004087135.db2.gz ARONIYHRFCSSGC-SNVBAGLBSA-N -1 3 364.358 2.503 20 5 FFBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(COC(=O)c2c[n-]nn2)cc1OC ZINC000805608206 1004087144 /nfs/dbraw/zinc/08/71/44/1004087144.db2.gz ARONIYHRFCSSGC-SNVBAGLBSA-N -1 3 364.358 2.503 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC23CCOCC3)c(F)cc1[N+](=O)[O-] ZINC001193792730 1004572570 /nfs/dbraw/zinc/57/25/70/1004572570.db2.gz KJMTVWQAKFSMCQ-GFCCVEGCSA-N -1 3 372.418 2.527 20 5 FFBDHM Cc1c[nH]c(C2([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CCC2)n1 ZINC001194110795 1004650836 /nfs/dbraw/zinc/65/08/36/1004650836.db2.gz XNKILORMUGQSLI-UHFFFAOYSA-N -1 3 370.818 2.637 20 5 FFBDHM CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c[nH]1 ZINC001195319523 1004941932 /nfs/dbraw/zinc/94/19/32/1004941932.db2.gz PLZNZIDXARQAJJ-UHFFFAOYSA-N -1 3 358.807 2.573 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cn3cc(Br)ncc3n2)c1 ZINC001199819207 1005025562 /nfs/dbraw/zinc/02/55/62/1005025562.db2.gz MFOSEKUGFAZWNR-UHFFFAOYSA-N -1 3 350.132 2.849 20 5 FFBDHM O=c1[n-]c(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2c1COCC2 ZINC001187403257 1006060470 /nfs/dbraw/zinc/06/04/70/1006060470.db2.gz ARFHBMUYLWMYFU-UHFFFAOYSA-N -1 3 370.287 2.794 20 5 FFBDHM COc1ccc([C@H](O)C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853639220 1006489754 /nfs/dbraw/zinc/48/97/54/1006489754.db2.gz GZQYPNPJVWGAQE-KRWDZBQOSA-N -1 3 359.382 2.654 20 5 FFBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000853679374 1006502696 /nfs/dbraw/zinc/50/26/96/1006502696.db2.gz WQYNXOWBJCDZEM-VXGBXAGGSA-N -1 3 366.418 2.683 20 5 FFBDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800150885 1007183948 /nfs/dbraw/zinc/18/39/48/1007183948.db2.gz FRQAQPUBQJQPHS-UHFFFAOYSA-N -1 3 359.317 2.992 20 5 FFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001136153539 1007963283 /nfs/dbraw/zinc/96/32/83/1007963283.db2.gz KJZJRLVTYWESBV-UHFFFAOYSA-N -1 3 362.773 2.893 20 5 FFBDHM COc1cccc([C@@H](O)C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000858847925 1008435848 /nfs/dbraw/zinc/43/58/48/1008435848.db2.gz OGPHAPVTCSGVPS-KRWDZBQOSA-N -1 3 359.382 2.654 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3cncc(Br)c3)no2)cc1[N+](=O)[O-] ZINC001212844351 1009549934 /nfs/dbraw/zinc/54/99/34/1009549934.db2.gz PCUFZKPXYRMMOD-UHFFFAOYSA-N -1 3 364.115 2.570 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3cccc(-c4ccccn4)n3)no2)cc1[N+](=O)[O-] ZINC001212844396 1009555954 /nfs/dbraw/zinc/55/59/54/1009555954.db2.gz RLCHOQJFYSDDMZ-UHFFFAOYSA-N -1 3 362.305 2.869 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000754908084 1023537457 /nfs/dbraw/zinc/53/74/57/1023537457.db2.gz KGUXVIHZWFPDEW-LUAWRHEFSA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000754908084 1023537462 /nfs/dbraw/zinc/53/74/62/1023537462.db2.gz KGUXVIHZWFPDEW-LUAWRHEFSA-N -1 3 350.338 2.817 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001160949157 1027937499 /nfs/dbraw/zinc/93/74/99/1027937499.db2.gz RZWHJWFKXYTRKB-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001160949157 1027937512 /nfs/dbraw/zinc/93/75/12/1027937512.db2.gz RZWHJWFKXYTRKB-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2ccnc3c2ccc2cccnc23)[n-]1 ZINC001155808831 1028923094 /nfs/dbraw/zinc/92/30/94/1028923094.db2.gz NCDAIKOCGIWMPX-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2ccnc3c2ccc2cccnc23)c[n-]1 ZINC001155808831 1028923111 /nfs/dbraw/zinc/92/31/11/1028923111.db2.gz NCDAIKOCGIWMPX-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(Cl)c1OC ZINC001163995100 1029138066 /nfs/dbraw/zinc/13/80/66/1029138066.db2.gz PSJCFLXFMZQVJP-UHFFFAOYSA-N -1 3 353.718 2.618 20 5 FFBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1cc([N+](=O)[O-])ccc1F ZINC000782995527 1029874121 /nfs/dbraw/zinc/87/41/21/1029874121.db2.gz VCCGEMDBPOEDIX-UHFFFAOYSA-N -1 3 359.269 2.847 20 5 FFBDHM CC(C)(C)OC(=O)N1CCCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661181 1034355893 /nfs/dbraw/zinc/35/58/93/1034355893.db2.gz LTZIWKRSWNSYCJ-NSHDSACASA-N -1 3 353.375 2.864 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2[nH]c(=S)nc3nc[n-]c32)CC1 ZINC001227615987 1035639272 /nfs/dbraw/zinc/63/92/72/1035639272.db2.gz ILIWXABPBMQLCW-UHFFFAOYSA-N -1 3 372.410 2.598 20 5 FFBDHM CCOC(=O)[C@H](C)[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227745863 1035711273 /nfs/dbraw/zinc/71/12/73/1035711273.db2.gz OTJURIHVGMOXEN-RDDDGLTNSA-N -1 3 361.276 2.980 20 5 FFBDHM CCOC(=O)[C@H](C)[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227745863 1035711296 /nfs/dbraw/zinc/71/12/96/1035711296.db2.gz OTJURIHVGMOXEN-RDDDGLTNSA-N -1 3 361.276 2.980 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676257 1036250765 /nfs/dbraw/zinc/25/07/65/1036250765.db2.gz XUDZJLAKQAZXHC-VIFPVBQESA-N -1 3 360.330 2.660 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2F)c1[N+](=O)[O-] ZINC001228685801 1036255193 /nfs/dbraw/zinc/25/51/93/1036255193.db2.gz KLIQFJQZZPHNMQ-WDEREUQCSA-N -1 3 371.365 2.730 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228690039 1036262581 /nfs/dbraw/zinc/26/25/81/1036262581.db2.gz YWDKTRSBYOJAJQ-NSHDSACASA-N -1 3 351.359 2.558 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2n[n-]c(-c3ccncc3)n2)CC1 ZINC001228700372 1036273294 /nfs/dbraw/zinc/27/32/94/1036273294.db2.gz QDRRENAIRFUCCM-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2ccccc2-c2nnn[n-]2)C1 ZINC001229949869 1036993678 /nfs/dbraw/zinc/99/36/78/1036993678.db2.gz HGEWTAQPURQWKV-NSHDSACASA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2ccccc2-c2nn[n-]n2)C1 ZINC001229949869 1036993692 /nfs/dbraw/zinc/99/36/92/1036993692.db2.gz HGEWTAQPURQWKV-NSHDSACASA-N -1 3 370.344 2.572 20 5 FFBDHM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@H]3CN4CCC3CC4)c12 ZINC001234745211 1037162285 /nfs/dbraw/zinc/16/22/85/1037162285.db2.gz SICUHGYMMKBYIA-SFHVURJKSA-N -1 3 353.374 2.830 20 5 FFBDHM O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H]3CCc4nccn4C3)c12 ZINC001234747042 1037164557 /nfs/dbraw/zinc/16/45/57/1037164557.db2.gz HTVQMAIZJOUULD-CYBMUJFWSA-N -1 3 364.357 2.948 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])s1 ZINC001208385646 1038273346 /nfs/dbraw/zinc/27/33/46/1038273346.db2.gz JTNCESGOAHMGRJ-JQWIXIFHSA-N -1 3 362.473 2.838 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC001208481175 1038348933 /nfs/dbraw/zinc/34/89/33/1038348933.db2.gz IVFCPDNQPWVEFN-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM COc1nccc(C)c1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001247999713 1040092779 /nfs/dbraw/zinc/09/27/79/1040092779.db2.gz MEFBAAWHBCXFDF-UHFFFAOYSA-N -1 3 355.310 2.609 20 5 FFBDHM CN(C)c1cccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248001153 1040095725 /nfs/dbraw/zinc/09/57/25/1040095725.db2.gz ZOFVOXJMGUUBPX-UHFFFAOYSA-N -1 3 353.338 2.963 20 5 FFBDHM COc1ccc(Cc2nnc(-c3[n-]nc(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001254784093 1040952320 /nfs/dbraw/zinc/95/23/20/1040952320.db2.gz KZRXOVOUXNNJHJ-UHFFFAOYSA-N -1 3 369.259 2.986 20 5 FFBDHM COc1ccc(Cc2nnc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])o2)cc1 ZINC001254784093 1040952339 /nfs/dbraw/zinc/95/23/39/1040952339.db2.gz KZRXOVOUXNNJHJ-UHFFFAOYSA-N -1 3 369.259 2.986 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2c3c(ccc2F)OCO3)cc([N+](=O)[O-])c1 ZINC001538672710 1070472355 /nfs/dbraw/zinc/47/23/55/1070472355.db2.gz YLKASGKYTHHPBL-UHFFFAOYSA-N -1 3 362.269 2.502 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C(C)C)C2(CO)CCC2)c(F)cc1[N+](=O)[O-] ZINC001309545735 1043430948 /nfs/dbraw/zinc/43/09/48/1043430948.db2.gz CBIWYXGJGIXSQF-OAHLLOKOSA-N -1 3 374.434 2.508 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2noc3cc(F)ccc32)c([N+](=O)[O-])s1 ZINC001309792251 1043528982 /nfs/dbraw/zinc/52/89/82/1043528982.db2.gz BTYRAOPPSWMRFV-UHFFFAOYSA-N -1 3 371.371 2.724 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCCC2)c1 ZINC001324269596 1045948366 /nfs/dbraw/zinc/94/83/66/1045948366.db2.gz OMYBWOCULRLRNK-UHFFFAOYSA-N -1 3 361.423 2.991 20 5 FFBDHM COc1cc(CNCc2cccc3c2OCCCO3)c([N+](=O)[O-])cc1[O-] ZINC001308321513 1052446096 /nfs/dbraw/zinc/44/60/96/1052446096.db2.gz BKPHJJLSEBYYLA-UHFFFAOYSA-N -1 3 360.366 2.760 20 5 FFBDHM COc1cc(CNCc2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC001308341883 1052447987 /nfs/dbraw/zinc/44/79/87/1052447987.db2.gz DCIYEMVYOAJGAZ-UHFFFAOYSA-N -1 3 373.365 2.555 20 5 FFBDHM COc1cc(CNCc2ccc(C)nc2N2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC001308367494 1052451537 /nfs/dbraw/zinc/45/15/37/1052451537.db2.gz FJHSGEWOKAVSTF-UHFFFAOYSA-N -1 3 372.425 2.902 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c([N+](=O)[O-])s1 ZINC001309330878 1052599855 /nfs/dbraw/zinc/59/98/55/1052599855.db2.gz YXKNAXITCFSQKS-NWANDNLSSA-N -1 3 364.448 2.971 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)C)C2(C)C)c([N+](=O)[O-])s1 ZINC001309381688 1052608980 /nfs/dbraw/zinc/60/89/80/1052608980.db2.gz OWWYWUNABTVCOD-NEPJUHHUSA-N -1 3 362.473 2.835 20 5 FFBDHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC001309418533 1052616257 /nfs/dbraw/zinc/61/62/57/1052616257.db2.gz PAZMHAMXXCUIOY-UHFFFAOYSA-N -1 3 360.407 2.526 20 5 FFBDHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001446152267 1058485847 /nfs/dbraw/zinc/48/58/47/1058485847.db2.gz SNZHXRICLFLKFX-UHFFFAOYSA-N -1 3 355.322 2.903 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001455646424 1059852193 /nfs/dbraw/zinc/85/21/93/1059852193.db2.gz NGKIYVUYQWNPDE-LLVKDONJSA-N -1 3 355.350 2.916 20 5 FFBDHM Cc1ccc(CSc2nc(NC(=O)c3cc([N+](=O)[O-])cn3C)n[n-]2)cc1 ZINC001457164560 1060295307 /nfs/dbraw/zinc/29/53/07/1060295307.db2.gz UDFYPAYODASMCF-UHFFFAOYSA-N -1 3 372.410 2.904 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cncc(F)c1Cl ZINC001457609421 1060411525 /nfs/dbraw/zinc/41/15/25/1060411525.db2.gz AFVJZBWMPOFXIE-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])s1 ZINC001475136761 1060962022 /nfs/dbraw/zinc/96/20/22/1060962022.db2.gz WMGPWZMJSPPXOS-RYUDHWBXSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCCO2)c([N+](=O)[O-])s1 ZINC001475539808 1061131089 /nfs/dbraw/zinc/13/10/89/1061131089.db2.gz LMJRCIYQPNYMFD-YPMHNXCESA-N -1 3 360.457 2.591 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOCC23CCCC3)c([N+](=O)[O-])s1 ZINC001464837238 1062858503 /nfs/dbraw/zinc/85/85/03/1062858503.db2.gz LBOSXXXAKCPWGX-GFCCVEGCSA-N -1 3 360.457 2.592 20 5 FFBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-c1nnn[n-]1 ZINC001470789293 1064450753 /nfs/dbraw/zinc/45/07/53/1064450753.db2.gz LFBFJCIQPFUVNC-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-c1nn[n-]n1 ZINC001470789293 1064450762 /nfs/dbraw/zinc/45/07/62/1064450762.db2.gz LFBFJCIQPFUVNC-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cc2c(cc1[O-])OCO2 ZINC001472589164 1065106178 /nfs/dbraw/zinc/10/61/78/1065106178.db2.gz QSFWQVKHUNBXSH-UHFFFAOYSA-N -1 3 353.290 2.830 20 5 FFBDHM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001474841709 1065623428 /nfs/dbraw/zinc/62/34/28/1065623428.db2.gz GGFSINRYRYXLDK-JTQLQIEISA-N -1 3 355.803 2.553 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)N(C)c2ccccc2)c([N+](=O)[O-])s1 ZINC001474881946 1065636942 /nfs/dbraw/zinc/63/69/42/1065636942.db2.gz SJJMWQIHTMQGTJ-LLVKDONJSA-N -1 3 369.468 2.768 20 5 FFBDHM CN=[S@@](C)(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001579383134 1078624495 /nfs/dbraw/zinc/62/44/95/1078624495.db2.gz OQLVSGXTLCAILS-SANMLTNESA-N -1 3 373.398 2.605 20 5 FFBDHM CN=[S@@](C)(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001579383134 1078624498 /nfs/dbraw/zinc/62/44/98/1078624498.db2.gz OQLVSGXTLCAILS-SANMLTNESA-N -1 3 373.398 2.605 20 5 FFBDHM CO[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCC1 ZINC001579594265 1078647768 /nfs/dbraw/zinc/64/77/68/1078647768.db2.gz JYPPHKINSJQMGH-CQSZACIVSA-N -1 3 350.354 2.531 20 5 FFBDHM CO[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC001579594265 1078647770 /nfs/dbraw/zinc/64/77/70/1078647770.db2.gz JYPPHKINSJQMGH-CQSZACIVSA-N -1 3 350.354 2.531 20 5 FFBDHM COc1ccc(F)cc1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580034244 1078734386 /nfs/dbraw/zinc/73/43/86/1078734386.db2.gz ADIXQUBCQJQEHQ-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM COc1ccc(F)cc1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580034244 1078734393 /nfs/dbraw/zinc/73/43/93/1078734393.db2.gz ADIXQUBCQJQEHQ-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM COc1cccc([C@@H]2C[C@H]2Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001580075271 1078744992 /nfs/dbraw/zinc/74/49/92/1078744992.db2.gz WEGPSVPBGVXNEY-XJKSGUPXSA-N -1 3 352.354 2.752 20 5 FFBDHM COc1cccc([C@@H]2C[C@H]2Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001580075271 1078744985 /nfs/dbraw/zinc/74/49/85/1078744985.db2.gz WEGPSVPBGVXNEY-XJKSGUPXSA-N -1 3 352.354 2.752 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@@H]2CCC(F)(F)C2)c1-c1nnn[n-]1 ZINC001581909887 1079014060 /nfs/dbraw/zinc/01/40/60/1079014060.db2.gz ZFPSXSGICZOHPO-QMMMGPOBSA-N -1 3 353.333 2.595 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCC[C@@H]2CCC(F)(F)C2)c1-c1nn[n-]n1 ZINC001581909887 1079014072 /nfs/dbraw/zinc/01/40/72/1079014072.db2.gz ZFPSXSGICZOHPO-QMMMGPOBSA-N -1 3 353.333 2.595 20 5 FFBDHM O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001582642972 1079084325 /nfs/dbraw/zinc/08/43/25/1079084325.db2.gz XEKIMIWVIYCAIM-QWHCGFSZSA-N -1 3 368.328 2.656 20 5 FFBDHM O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001582642972 1079084330 /nfs/dbraw/zinc/08/43/30/1079084330.db2.gz XEKIMIWVIYCAIM-QWHCGFSZSA-N -1 3 368.328 2.656 20 5 FFBDHM O=C(c1c(F)cccc1[N+](=O)[O-])N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001582664379 1079096373 /nfs/dbraw/zinc/09/63/73/1079096373.db2.gz DAGSQONTWORJIE-UHFFFAOYSA-N -1 3 368.328 2.507 20 5 FFBDHM O=C(c1c(F)cccc1[N+](=O)[O-])N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001582664379 1079096384 /nfs/dbraw/zinc/09/63/84/1079096384.db2.gz DAGSQONTWORJIE-UHFFFAOYSA-N -1 3 368.328 2.507 20 5 FFBDHM COC(=O)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c([O-])c(OC)c1 ZINC001558677325 1076052821 /nfs/dbraw/zinc/05/28/21/1076052821.db2.gz MNIMNVYBIXSBBS-VMPITWQZSA-N -1 3 372.333 2.748 20 5 FFBDHM CC(=O)c1ccc(N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001559223670 1076136595 /nfs/dbraw/zinc/13/65/95/1076136595.db2.gz LTABVIVXBULWAT-QWRGUYRKSA-N -1 3 372.381 2.973 20 5 FFBDHM CSCC1(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC001561737072 1076415475 /nfs/dbraw/zinc/41/54/75/1076415475.db2.gz NDOZKNBXSGWPIA-UHFFFAOYSA-N -1 3 350.487 2.776 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C1=CCOCC1 ZINC001589288200 1080466205 /nfs/dbraw/zinc/46/62/05/1080466205.db2.gz HZQAWDGYCJOBIK-UHFFFAOYSA-N -1 3 362.365 2.699 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C1=CCOCC1 ZINC001589288200 1080466208 /nfs/dbraw/zinc/46/62/08/1080466208.db2.gz HZQAWDGYCJOBIK-UHFFFAOYSA-N -1 3 362.365 2.699 20 5 FFBDHM CC(C)Oc1nc(NCc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC001589759425 1080714116 /nfs/dbraw/zinc/71/41/16/1080714116.db2.gz LITOUDNVAAVTSH-UHFFFAOYSA-N -1 3 373.348 2.708 20 5 FFBDHM CC(C)Oc1nc(NCc2ccc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC001589759425 1080714122 /nfs/dbraw/zinc/71/41/22/1080714122.db2.gz LITOUDNVAAVTSH-UHFFFAOYSA-N -1 3 373.348 2.708 20 5 FFBDHM CC(C)c1[nH]ccc1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589765108 1080720049 /nfs/dbraw/zinc/72/00/49/1080720049.db2.gz LJAYRODKWKBLKN-UHFFFAOYSA-N -1 3 356.342 2.583 20 5 FFBDHM CC(C)c1[nH]ccc1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589765108 1080720058 /nfs/dbraw/zinc/72/00/58/1080720058.db2.gz LJAYRODKWKBLKN-UHFFFAOYSA-N -1 3 356.342 2.583 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589804523 1080761283 /nfs/dbraw/zinc/76/12/83/1080761283.db2.gz YOXJQDJGAZBHFK-BMIGLBTASA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589804523 1080761289 /nfs/dbraw/zinc/76/12/89/1080761289.db2.gz YOXJQDJGAZBHFK-BMIGLBTASA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC001589894308 1080839501 /nfs/dbraw/zinc/83/95/01/1080839501.db2.gz KIGRKYACHRPHMM-SNVBAGLBSA-N -1 3 373.394 2.758 20 5 FFBDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC001589894308 1080839508 /nfs/dbraw/zinc/83/95/08/1080839508.db2.gz KIGRKYACHRPHMM-SNVBAGLBSA-N -1 3 373.394 2.758 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001590008451 1080936046 /nfs/dbraw/zinc/93/60/46/1080936046.db2.gz HADKINGYHRBGAU-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001590008451 1080936053 /nfs/dbraw/zinc/93/60/53/1080936053.db2.gz HADKINGYHRBGAU-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM CC1(C)CC(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)C1 ZINC001590078566 1080993697 /nfs/dbraw/zinc/99/36/97/1080993697.db2.gz OIDKMDAQBBGQAN-UHFFFAOYSA-N -1 3 350.766 2.803 20 5 FFBDHM CC1(C)CC(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)C1 ZINC001590078566 1080993702 /nfs/dbraw/zinc/99/37/02/1080993702.db2.gz OIDKMDAQBBGQAN-UHFFFAOYSA-N -1 3 350.766 2.803 20 5 FFBDHM O=C([N-][C@H]1CCCc2[nH]c(=O)ccc21)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272568213 252068968 /nfs/dbraw/zinc/06/89/68/252068968.db2.gz QKHRIVNDHYTTRH-AWEZNQCLSA-N -1 3 363.320 2.981 20 5 FFBDHM CCOC(=O)c1nnc(C2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)[n-]1 ZINC000277494952 256204371 /nfs/dbraw/zinc/20/43/71/256204371.db2.gz AFFSSBRSTQEZHU-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM CCOC(=O)c1nc(C2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)n[n-]1 ZINC000277494952 256204372 /nfs/dbraw/zinc/20/43/72/256204372.db2.gz AFFSSBRSTQEZHU-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM CCOC(=O)c1n[n-]c(C2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)n1 ZINC000277494952 256204375 /nfs/dbraw/zinc/20/43/75/256204375.db2.gz AFFSSBRSTQEZHU-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM CCc1ccc([C@@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000280792113 256568235 /nfs/dbraw/zinc/56/82/35/256568235.db2.gz OZKPSSDLQOUJEQ-MRXNPFEDSA-N -1 3 357.410 2.896 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000032401810 506247557 /nfs/dbraw/zinc/24/75/57/506247557.db2.gz UXOLJGYXTIPMBK-ZDUSSCGKSA-N -1 3 364.423 2.903 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000065795194 506369082 /nfs/dbraw/zinc/36/90/82/506369082.db2.gz ZXBUUARLNSVVEH-ZIAGYGMSSA-N -1 3 366.370 2.577 20 5 FFBDHM O=C(Nc1ccc(-c2cncnc2)cn1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000410162396 512216201 /nfs/dbraw/zinc/21/62/01/512216201.db2.gz RFDZUXARQYGJTC-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2ccc(F)c(F)c2F)cc([N+](=O)[O-])c1 ZINC000067296142 506821194 /nfs/dbraw/zinc/82/11/94/506821194.db2.gz ULQZUKWVIGKPOM-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000024258474 507399582 /nfs/dbraw/zinc/39/95/82/507399582.db2.gz MVKIQZONIKTPPR-ZDUSSCGKSA-N -1 3 364.423 2.903 20 5 FFBDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000063629238 507751993 /nfs/dbraw/zinc/75/19/93/507751993.db2.gz PTXRNIKYWVFOOJ-UHFFFAOYSA-N -1 3 365.411 2.566 20 5 FFBDHM Cc1ccccc1CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000031765727 507821634 /nfs/dbraw/zinc/82/16/34/507821634.db2.gz JOELNHQFROJSCB-UHFFFAOYSA-N -1 3 369.421 2.957 20 5 FFBDHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000089486819 507843149 /nfs/dbraw/zinc/84/31/49/507843149.db2.gz AJVRZVRUZAGWRH-UHFFFAOYSA-N -1 3 353.338 2.679 20 5 FFBDHM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000089486819 507843151 /nfs/dbraw/zinc/84/31/51/507843151.db2.gz AJVRZVRUZAGWRH-UHFFFAOYSA-N -1 3 353.338 2.679 20 5 FFBDHM Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000091815237 508015468 /nfs/dbraw/zinc/01/54/68/508015468.db2.gz WCUHQVHJARMMBA-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000101569999 508247908 /nfs/dbraw/zinc/24/79/08/508247908.db2.gz QDTOAOPLBLVMFR-UHFFFAOYSA-N -1 3 372.349 2.983 20 5 FFBDHM COc1cc(CNC[C@@](C)(O)c2ccc(F)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000114509273 508323202 /nfs/dbraw/zinc/32/32/02/508323202.db2.gz DAMQMXHWBFXZNQ-QGZVFWFLSA-N -1 3 368.336 2.585 20 5 FFBDHM C[S@@](=O)Cc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000115483378 508396648 /nfs/dbraw/zinc/39/66/48/508396648.db2.gz XISQHILYOGHXFD-VWLOTQADSA-N -1 3 358.379 2.602 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c(F)c1 ZINC000116362553 508504107 /nfs/dbraw/zinc/50/41/07/508504107.db2.gz YGOMGDAHACTEHN-NOZJJQNGSA-N -1 3 372.324 2.847 20 5 FFBDHM C[C@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000158215839 508672678 /nfs/dbraw/zinc/67/26/78/508672678.db2.gz MHEHLDFSZGLZQN-SKDRFNHKSA-N -1 3 374.415 2.586 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1c(C)noc1C ZINC000119270918 508761577 /nfs/dbraw/zinc/76/15/77/508761577.db2.gz ZRJZTQVFHKOCHE-CYBMUJFWSA-N -1 3 353.400 2.938 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000124852175 508895017 /nfs/dbraw/zinc/89/50/17/508895017.db2.gz PCTWXAXVRWNEEF-SSDOTTSWSA-N -1 3 374.444 2.685 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000124918804 508905487 /nfs/dbraw/zinc/90/54/87/508905487.db2.gz FXMPZRHUBUVVHB-VXGBXAGGSA-N -1 3 370.456 2.623 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nccs1 ZINC000151485104 509027210 /nfs/dbraw/zinc/02/72/10/509027210.db2.gz KCRNJNBLINSBCD-AWEZNQCLSA-N -1 3 371.440 2.664 20 5 FFBDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000127075387 509164747 /nfs/dbraw/zinc/16/47/47/509164747.db2.gz RZUCZTBKVXHREM-ZETCQYMHSA-N -1 3 361.470 2.812 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1c(C)noc1C ZINC000179315433 509371270 /nfs/dbraw/zinc/37/12/70/509371270.db2.gz GUKVNUJCKOTLBT-CYBMUJFWSA-N -1 3 353.400 2.938 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(C(F)(F)F)c1 ZINC000163450542 509378089 /nfs/dbraw/zinc/37/80/89/509378089.db2.gz WULDUXUAVXRILF-SECBINFHSA-N -1 3 370.374 2.788 20 5 FFBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000189164353 509446189 /nfs/dbraw/zinc/44/61/89/509446189.db2.gz KWYQTIHDUDKUKT-LBPRGKRZSA-N -1 3 365.411 2.655 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000190078985 509925540 /nfs/dbraw/zinc/92/55/40/509925540.db2.gz NIWFVGXOLUMIES-AWEZNQCLSA-N -1 3 368.455 2.982 20 5 FFBDHM O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193520243 509948058 /nfs/dbraw/zinc/94/80/58/509948058.db2.gz WNZLKPLOJFIHLN-UHFFFAOYSA-N -1 3 366.337 2.610 20 5 FFBDHM CCc1ccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([O-])c1 ZINC000191699186 510790793 /nfs/dbraw/zinc/79/07/93/510790793.db2.gz SEEPBYSIMAYISM-CYBMUJFWSA-N -1 3 356.382 2.584 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000291944383 511401331 /nfs/dbraw/zinc/40/13/31/511401331.db2.gz NMAYPPAZICVFSV-MEBBXXQBSA-N -1 3 368.436 2.637 20 5 FFBDHM CC(C)(C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000273937885 511662890 /nfs/dbraw/zinc/66/28/90/511662890.db2.gz JNADXXPLSIKOIJ-UHFFFAOYSA-N -1 3 361.255 2.787 20 5 FFBDHM CC(C)(C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000273937885 511662896 /nfs/dbraw/zinc/66/28/96/511662896.db2.gz JNADXXPLSIKOIJ-UHFFFAOYSA-N -1 3 361.255 2.787 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000311258729 511776817 /nfs/dbraw/zinc/77/68/17/511776817.db2.gz YTNYGSWEYRPIPS-AWEZNQCLSA-N -1 3 356.382 2.765 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000323777950 511831729 /nfs/dbraw/zinc/83/17/29/511831729.db2.gz CDWZFJJVZJCWOG-HNNXBMFYSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1c(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000281401496 511833588 /nfs/dbraw/zinc/83/35/88/511833588.db2.gz QODJEJXNWZQZGS-UHFFFAOYSA-N -1 3 359.348 2.794 20 5 FFBDHM Cc1cc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000274832605 511956615 /nfs/dbraw/zinc/95/66/15/511956615.db2.gz RQARASPNLJZSAN-LLVKDONJSA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1cc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000274832605 511956618 /nfs/dbraw/zinc/95/66/18/511956618.db2.gz RQARASPNLJZSAN-LLVKDONJSA-N -1 3 368.390 2.870 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000274935236 511993081 /nfs/dbraw/zinc/99/30/81/511993081.db2.gz MHEGPBKIFMPSHB-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM C[C@@H]1CN(c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000274964321 512000572 /nfs/dbraw/zinc/00/05/72/512000572.db2.gz LOPOIQDNMROWBE-VXGBXAGGSA-N -1 3 372.381 2.561 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000446178718 513203011 /nfs/dbraw/zinc/20/30/11/513203011.db2.gz FYQBHTTZEHAVND-UHFFFAOYSA-N -1 3 372.772 2.913 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000446178718 513203015 /nfs/dbraw/zinc/20/30/15/513203015.db2.gz FYQBHTTZEHAVND-UHFFFAOYSA-N -1 3 372.772 2.913 20 5 FFBDHM CC(C)(C)OC(=O)C(C)(C)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000425191505 513444870 /nfs/dbraw/zinc/44/48/70/513444870.db2.gz WQUHEORVYYZNCO-UHFFFAOYSA-N -1 3 372.443 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC2CCCC2)c(Cl)c1 ZINC000416503271 513805784 /nfs/dbraw/zinc/80/57/84/513805784.db2.gz ORXDRQMULUPJMA-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1nc2c(s1)CCC2 ZINC000416527337 513818054 /nfs/dbraw/zinc/81/80/54/513818054.db2.gz AYTNWFCCGPDFME-SNVBAGLBSA-N -1 3 367.452 2.888 20 5 FFBDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416599592 513858091 /nfs/dbraw/zinc/85/80/91/513858091.db2.gz PNGUZYMZICTAEL-XPTSAGLGSA-N -1 3 362.835 2.730 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000443090074 513867684 /nfs/dbraw/zinc/86/76/84/513867684.db2.gz VMPQIYBSJXZTEP-UHFFFAOYSA-N -1 3 365.436 2.967 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000416634522 513878050 /nfs/dbraw/zinc/87/80/50/513878050.db2.gz RHYSVACYDKNWQV-UHFFFAOYSA-N -1 3 369.830 2.899 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000416639992 513882432 /nfs/dbraw/zinc/88/24/32/513882432.db2.gz BGTSJRDTWQOHNB-MRVPVSSYSA-N -1 3 350.318 2.692 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COCc3ccccc32)cc1C ZINC000416644205 513884817 /nfs/dbraw/zinc/88/48/17/513884817.db2.gz HYFGIYSGMNMJPU-HNNXBMFYSA-N -1 3 362.407 2.761 20 5 FFBDHM Cc1ccc(C(=O)NCCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c([O-])c1 ZINC000436686199 513944467 /nfs/dbraw/zinc/94/44/67/513944467.db2.gz DELLPODUSTWGON-UHFFFAOYSA-N -1 3 368.349 2.631 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)cc1C ZINC000443390543 513958352 /nfs/dbraw/zinc/95/83/52/513958352.db2.gz SSUVMVINKWORGS-ZDUSSCGKSA-N -1 3 364.423 2.827 20 5 FFBDHM COc1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c([O-])c1 ZINC000443555516 513993471 /nfs/dbraw/zinc/99/34/71/513993471.db2.gz DABMJSWOVXNDBD-UHFFFAOYSA-N -1 3 354.322 2.747 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000451812300 513994919 /nfs/dbraw/zinc/99/49/19/513994919.db2.gz CIHNHSLIZFWHKT-GOEBONIOSA-N -1 3 370.471 2.941 20 5 FFBDHM COc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000443563449 513995297 /nfs/dbraw/zinc/99/52/97/513995297.db2.gz YQBFPLXFMOFSQH-UHFFFAOYSA-N -1 3 355.306 2.815 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000451815011 513999130 /nfs/dbraw/zinc/99/91/30/513999130.db2.gz GXXLWNJYDMGYSO-ZFWWWQNUSA-N -1 3 356.444 2.633 20 5 FFBDHM COc1cc(C[NH2+]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000426635466 514002232 /nfs/dbraw/zinc/00/22/32/514002232.db2.gz AULRZSIISAWKEH-PIGZYNQJSA-N -1 3 352.387 2.680 20 5 FFBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436937432 514041621 /nfs/dbraw/zinc/04/16/21/514041621.db2.gz YCDIQGVEKMUXGY-QGZVFWFLSA-N -1 3 355.394 2.867 20 5 FFBDHM CCO[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000444999704 514386275 /nfs/dbraw/zinc/38/62/75/514386275.db2.gz QJPUXHQUSSADCG-MRXNPFEDSA-N -1 3 364.423 2.959 20 5 FFBDHM O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445129984 514423388 /nfs/dbraw/zinc/42/33/88/514423388.db2.gz AQIOMDXOXCQINC-UHFFFAOYSA-N -1 3 353.294 2.530 20 5 FFBDHM O=C(Nc1ccc(OCc2ccncc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445173662 514436319 /nfs/dbraw/zinc/43/63/19/514436319.db2.gz PNYTUBCUCPBDOR-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc4c(cc3[O-])CCCC4)n2)n1C ZINC000445615554 514500167 /nfs/dbraw/zinc/50/01/67/514500167.db2.gz ISYBHFAGIYAMJL-UHFFFAOYSA-N -1 3 355.354 2.938 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000445743771 514514387 /nfs/dbraw/zinc/51/43/87/514514387.db2.gz YJDKCSQHXWJOBK-MRXNPFEDSA-N -1 3 356.444 2.513 20 5 FFBDHM CO[C@@H]1CCC[C@@H](CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000479859181 514746927 /nfs/dbraw/zinc/74/69/27/514746927.db2.gz LVVBVPLCMOIOFH-IUODEOHRSA-N -1 3 358.398 2.941 20 5 FFBDHM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000466863132 514806106 /nfs/dbraw/zinc/80/61/06/514806106.db2.gz YFNUJGBPMJGPPQ-UHFFFAOYSA-N -1 3 362.429 2.996 20 5 FFBDHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1(C)C ZINC000466870635 514808529 /nfs/dbraw/zinc/80/85/29/514808529.db2.gz BKNCMPKBLNXSDM-ZBFHGGJFSA-N -1 3 356.444 2.694 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000467262020 514957046 /nfs/dbraw/zinc/95/70/46/514957046.db2.gz ULCOTFLGFAZDBI-UHFFFAOYSA-N -1 3 369.468 2.770 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)c1C ZINC000480955171 515149492 /nfs/dbraw/zinc/14/94/92/515149492.db2.gz MWRKGNSOXHYCQD-CQSZACIVSA-N -1 3 369.487 2.610 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC(C)CC1 ZINC000480986849 515161937 /nfs/dbraw/zinc/16/19/37/515161937.db2.gz KSHZAEBEQVLZTA-UHFFFAOYSA-N -1 3 360.407 2.608 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C12CCCC2 ZINC000462677878 515184268 /nfs/dbraw/zinc/18/42/68/515184268.db2.gz MCPUQUDOUFOZOV-JKSUJKDBSA-N -1 3 368.455 2.919 20 5 FFBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000504132962 515226650 /nfs/dbraw/zinc/22/66/50/515226650.db2.gz UYRXWPKRBMWWIB-UHFFFAOYSA-N -1 3 374.422 2.789 20 5 FFBDHM Cc1ncn(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)c1C ZINC000462776217 515237374 /nfs/dbraw/zinc/23/73/74/515237374.db2.gz JNRVBQPXIAXXGI-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000476959140 515264569 /nfs/dbraw/zinc/26/45/69/515264569.db2.gz LBMVYHNUKPQXRZ-UHFFFAOYSA-N -1 3 368.353 2.881 20 5 FFBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(OC)[n-]1 ZINC000490753350 515298418 /nfs/dbraw/zinc/29/84/18/515298418.db2.gz CCRXPLBVJUAVKG-UHFFFAOYSA-N -1 3 351.388 2.866 20 5 FFBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(OC)n1 ZINC000490753350 515298425 /nfs/dbraw/zinc/29/84/25/515298425.db2.gz CCRXPLBVJUAVKG-UHFFFAOYSA-N -1 3 351.388 2.866 20 5 FFBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(OC)n[n-]1 ZINC000490753350 515298433 /nfs/dbraw/zinc/29/84/33/515298433.db2.gz CCRXPLBVJUAVKG-UHFFFAOYSA-N -1 3 351.388 2.866 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000491221857 515399092 /nfs/dbraw/zinc/39/90/92/515399092.db2.gz AKHDUGITNBSWKP-UHFFFAOYSA-N -1 3 360.388 2.591 20 5 FFBDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000491512988 515446345 /nfs/dbraw/zinc/44/63/45/515446345.db2.gz QIOZGNJWVWLJLM-MNOVXSKESA-N -1 3 360.407 2.990 20 5 FFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)(C)c2ccccc2)s1 ZINC000481899282 515505241 /nfs/dbraw/zinc/50/52/41/515505241.db2.gz XKOSGQORBVDIEN-UHFFFAOYSA-N -1 3 372.410 2.758 20 5 FFBDHM COc1cc2c(cc1F)CC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000510586185 515596139 /nfs/dbraw/zinc/59/61/39/515596139.db2.gz ASSGWYVLRPTERK-CYBMUJFWSA-N -1 3 366.370 2.708 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)CC1 ZINC000469003573 515624125 /nfs/dbraw/zinc/62/41/25/515624125.db2.gz QVIOUMNKQZMUQN-NEPJUHHUSA-N -1 3 370.427 2.629 20 5 FFBDHM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000463848654 515639239 /nfs/dbraw/zinc/63/92/39/515639239.db2.gz KHOYVFQXVZWFAG-KBPBESRZSA-N -1 3 360.407 2.604 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000493557377 515644692 /nfs/dbraw/zinc/64/46/92/515644692.db2.gz ZTZQBHHLXIOXBA-GMTAPVOTSA-N -1 3 360.407 2.846 20 5 FFBDHM O=C(Nc1cccc(NCC(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000505801052 515677300 /nfs/dbraw/zinc/67/73/00/515677300.db2.gz GHNXDKIAFHGWNB-UHFFFAOYSA-N -1 3 356.260 2.922 20 5 FFBDHM COc1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000494164439 515754055 /nfs/dbraw/zinc/75/40/55/515754055.db2.gz QCEQBOLOGGIMDA-UHFFFAOYSA-N -1 3 355.306 2.815 20 5 FFBDHM CCOC(=O)C[C@](C)([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000478768367 515955943 /nfs/dbraw/zinc/95/59/43/515955943.db2.gz ZKUWWCBKJONVHP-INIZCTEOSA-N -1 3 372.443 2.549 20 5 FFBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000487780772 515973049 /nfs/dbraw/zinc/97/30/49/515973049.db2.gz IUOGOXVMUNNHQJ-UHFFFAOYSA-N -1 3 350.356 2.725 20 5 FFBDHM CC(C)n1nc2c(c1NC(=O)c1n[n-]c3ccc([N+](=O)[O-])cc31)CCC2 ZINC000474688663 516156904 /nfs/dbraw/zinc/15/69/04/516156904.db2.gz UFNURDUVEYFNQK-UHFFFAOYSA-N -1 3 354.370 2.990 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1 ZINC000507537276 516235753 /nfs/dbraw/zinc/23/57/53/516235753.db2.gz YDWCMJQZQXAAFZ-CQSZACIVSA-N -1 3 369.468 2.546 20 5 FFBDHM COc1cccc(C(F)(F)CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])n1 ZINC000513038145 516449451 /nfs/dbraw/zinc/44/94/51/516449451.db2.gz WIUYUQQIUMENMP-UHFFFAOYSA-N -1 3 369.324 2.594 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000518368673 516631406 /nfs/dbraw/zinc/63/14/06/516631406.db2.gz HJRUXXVVUBJQHW-NWDGAFQWSA-N -1 3 352.334 2.994 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCc2cccs2)cc1[N+](=O)[O-] ZINC000547970730 516664544 /nfs/dbraw/zinc/66/45/44/516664544.db2.gz VEWYHTNZRBHRLV-UHFFFAOYSA-N -1 3 374.415 2.715 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544445340 516763844 /nfs/dbraw/zinc/76/38/44/516763844.db2.gz KUVIJVSXXKQBSW-MRVPVSSYSA-N -1 3 364.333 2.684 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544445340 516763852 /nfs/dbraw/zinc/76/38/52/516763852.db2.gz KUVIJVSXXKQBSW-MRVPVSSYSA-N -1 3 364.333 2.684 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000536618956 516856743 /nfs/dbraw/zinc/85/67/43/516856743.db2.gz PXMUZXWRZNNEAU-UHFFFAOYSA-N -1 3 374.349 2.885 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc1[N+](=O)[O-] ZINC000519023188 516858530 /nfs/dbraw/zinc/85/85/30/516858530.db2.gz CXGKVQFGOXZLTG-UHFFFAOYSA-N -1 3 356.382 2.586 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1ccccc1 ZINC000519153714 516903790 /nfs/dbraw/zinc/90/37/90/516903790.db2.gz PBUKSZNYTMSRML-UHFFFAOYSA-N -1 3 350.396 2.817 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000548473723 517006384 /nfs/dbraw/zinc/00/63/84/517006384.db2.gz XRUQOUMJTMHXHO-LLVKDONJSA-N -1 3 356.322 2.613 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)c(F)c1 ZINC000519889423 517233937 /nfs/dbraw/zinc/23/39/37/517233937.db2.gz OXPJRBXMHOUETM-UHFFFAOYSA-N -1 3 372.349 2.620 20 5 FFBDHM COC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000533209222 517345065 /nfs/dbraw/zinc/34/50/65/517345065.db2.gz BETSRCSQMZTYAK-UHFFFAOYSA-N -1 3 356.237 2.828 20 5 FFBDHM COC[C@](C)(NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000556321921 517369899 /nfs/dbraw/zinc/36/98/99/517369899.db2.gz RIMOPFRCEACCSJ-IBGZPJMESA-N -1 3 373.409 2.942 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000545938691 517448634 /nfs/dbraw/zinc/44/86/34/517448634.db2.gz LXZFFWACKXFBFD-UHFFFAOYSA-N -1 3 370.452 2.939 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1 ZINC000542241794 517458317 /nfs/dbraw/zinc/45/83/17/517458317.db2.gz HBQYVMBGVTVCGJ-UHFFFAOYSA-N -1 3 374.340 2.842 20 5 FFBDHM O=C(Nc1cnn(Cc2ccccc2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000516540548 517731653 /nfs/dbraw/zinc/73/16/53/517731653.db2.gz AQSFPGYUQRYUIM-UHFFFAOYSA-N -1 3 362.349 2.968 20 5 FFBDHM O=C([O-])[C@@H](C1CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000563276914 517789615 /nfs/dbraw/zinc/78/96/15/517789615.db2.gz HSNOKMFSDSEUNQ-CQSZACIVSA-N -1 3 373.331 2.599 20 5 FFBDHM Cc1ncc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(=O)[n-]1 ZINC000543241405 517984021 /nfs/dbraw/zinc/98/40/21/517984021.db2.gz QPQCYARHWUTGCQ-UHFFFAOYSA-N -1 3 357.395 2.812 20 5 FFBDHM CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000575409717 518213661 /nfs/dbraw/zinc/21/36/61/518213661.db2.gz WXBXONQFBHWJEM-MRXNPFEDSA-N -1 3 355.394 2.656 20 5 FFBDHM COCc1ccccc1CS(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000564131610 518317931 /nfs/dbraw/zinc/31/79/31/518317931.db2.gz QDTFDLPYJJSIMJ-UHFFFAOYSA-N -1 3 366.395 2.692 20 5 FFBDHM CCCN(CC)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000581718863 518423752 /nfs/dbraw/zinc/42/37/52/518423752.db2.gz JKYJYOGFFOFIRB-NSHDSACASA-N -1 3 363.867 2.647 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][n-]cc1Br ZINC000579848457 518885216 /nfs/dbraw/zinc/88/52/16/518885216.db2.gz YAQJINPMJSFBDK-SSDOTTSWSA-N -1 3 371.216 2.622 20 5 FFBDHM COc1cc(CN2CC[C@](C(=O)[O-])(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000583327727 519191331 /nfs/dbraw/zinc/19/13/31/519191331.db2.gz ASBZDVQHTOGNMD-LJQANCHMSA-N -1 3 356.378 2.832 20 5 FFBDHM CC(C)[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000566015142 519248464 /nfs/dbraw/zinc/24/84/64/519248464.db2.gz KPZYXVAXXPFPEZ-QGZVFWFLSA-N -1 3 360.370 2.578 20 5 FFBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000568937000 519291586 /nfs/dbraw/zinc/29/15/86/519291586.db2.gz YBWXRFUZKGGGHT-HNNXBMFYSA-N -1 3 364.423 2.532 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH][n-]1 ZINC000608783645 520126661 /nfs/dbraw/zinc/12/66/61/520126661.db2.gz SJDQTZGMIGWKGA-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000608789309 520130119 /nfs/dbraw/zinc/13/01/19/520130119.db2.gz MGWUZMCDXJHMRA-VIFPVBQESA-N -1 3 355.354 2.754 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000594803095 520165675 /nfs/dbraw/zinc/16/56/75/520165675.db2.gz LVYILZPUEYNNAM-BXKDBHETSA-N -1 3 350.318 2.835 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCOc2ccccc21 ZINC000609202068 520230115 /nfs/dbraw/zinc/23/01/15/520230115.db2.gz HHLOOGGTSIEZKJ-HNNXBMFYSA-N -1 3 364.361 2.912 20 5 FFBDHM Cn1cc(CN2CCC(C)(C(=O)[O-])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592422404 520384600 /nfs/dbraw/zinc/38/46/00/520384600.db2.gz BAJKMNYYPMGQHY-UHFFFAOYSA-N -1 3 358.398 2.682 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000595392038 520444423 /nfs/dbraw/zinc/44/44/23/520444423.db2.gz FVHDSFATZUCFNE-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)O)cc1C ZINC000595407446 520450310 /nfs/dbraw/zinc/45/03/10/520450310.db2.gz NRNVBIRZZFXXRJ-CXAGYDPISA-N -1 3 364.423 2.612 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cnc3ccccc3n2)cc([N+](=O)[O-])c1 ZINC000609837218 520450773 /nfs/dbraw/zinc/45/07/73/520450773.db2.gz HXWLIQMOHNCGQF-UHFFFAOYSA-N -1 3 352.306 2.577 20 5 FFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000610195943 520575640 /nfs/dbraw/zinc/57/56/40/520575640.db2.gz BBSHIBFHAKXQMX-UHFFFAOYSA-N -1 3 367.361 2.529 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000610265343 520610722 /nfs/dbraw/zinc/61/07/22/520610722.db2.gz BPDBQAHWFNJOKM-SJORKVTESA-N -1 3 362.407 2.612 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601375557 520764125 /nfs/dbraw/zinc/76/41/25/520764125.db2.gz XQCBPVAMBAXZGE-NSHDSACASA-N -1 3 360.457 2.735 20 5 FFBDHM O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(C2CC[NH2+]CC2)no1 ZINC000595930187 520830624 /nfs/dbraw/zinc/83/06/24/520830624.db2.gz YWBGKJVXXDUSRP-UHFFFAOYSA-N -1 3 366.761 2.661 20 5 FFBDHM COc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1N1CCCCC1=O ZINC000596073947 520896050 /nfs/dbraw/zinc/89/60/50/520896050.db2.gz NJZOOTOIBLXDLB-UHFFFAOYSA-N -1 3 358.354 2.965 20 5 FFBDHM O=c1[n-]ccc(N2CCN(Cc3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000596075925 520897134 /nfs/dbraw/zinc/89/71/34/520897134.db2.gz JORTZZWHFUYKPI-UHFFFAOYSA-N -1 3 366.780 2.810 20 5 FFBDHM COc1cc(CNC[C@]2(C)COc3ccccc3O2)c([N+](=O)[O-])cc1[O-] ZINC000598985356 520960432 /nfs/dbraw/zinc/96/04/32/520960432.db2.gz OTFPGSMWFSDJLO-GOSISDBHSA-N -1 3 360.366 2.629 20 5 FFBDHM CO[C@@H](CS(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000599221181 521094266 /nfs/dbraw/zinc/09/42/66/521094266.db2.gz OWSXLFBSNNOYMQ-INIZCTEOSA-N -1 3 368.386 2.541 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CNc3ccccc3C2)c1[N+](=O)[O-] ZINC000593730292 521179738 /nfs/dbraw/zinc/17/97/38/521179738.db2.gz NPGMQDFPUQHOBU-CQSZACIVSA-N -1 3 361.423 2.527 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000599463892 521240798 /nfs/dbraw/zinc/24/07/98/521240798.db2.gz GTSLYAJAGMVURO-CYBMUJFWSA-N -1 3 373.862 2.543 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1ccccc1C ZINC000619473374 521586603 /nfs/dbraw/zinc/58/66/03/521586603.db2.gz KEPDHDXFPMHASV-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000619479203 521589990 /nfs/dbraw/zinc/58/99/90/521589990.db2.gz DNJFYQZMWVRTMO-OLZOCXBDSA-N -1 3 366.370 2.577 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000619498983 521598397 /nfs/dbraw/zinc/59/83/97/521598397.db2.gz XALFYGGKOJJHSJ-VIFPVBQESA-N -1 3 370.349 2.859 20 5 FFBDHM CSc1c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cnn1C ZINC000484041830 561290273 /nfs/dbraw/zinc/29/02/73/561290273.db2.gz MXDFVEKNYNLMLF-UHFFFAOYSA-N -1 3 358.383 2.693 20 5 FFBDHM CNC(=O)Cn1nc([N-]c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)cc1C ZINC000502777391 561625238 /nfs/dbraw/zinc/62/52/38/561625238.db2.gz AKPRUCBWOWFINL-UHFFFAOYSA-N -1 3 366.381 2.651 20 5 FFBDHM Cc1cc(C)cc(-c2cc(=NC(=O)CCn3cc([N+](=O)[O-])cn3)[nH][n-]2)c1 ZINC000512531060 561908423 /nfs/dbraw/zinc/90/84/23/561908423.db2.gz QZPPDGPXEZKLQO-UHFFFAOYSA-N -1 3 354.370 2.827 20 5 FFBDHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000735582670 598827596 /nfs/dbraw/zinc/82/75/96/598827596.db2.gz NIIYFWYBPHLJDZ-UHFFFAOYSA-N -1 3 353.338 2.658 20 5 FFBDHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000735582670 598827598 /nfs/dbraw/zinc/82/75/98/598827598.db2.gz NIIYFWYBPHLJDZ-UHFFFAOYSA-N -1 3 353.338 2.658 20 5 FFBDHM Cc1cccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822326732 599057152 /nfs/dbraw/zinc/05/71/52/599057152.db2.gz ACWBGXIWYQECTG-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1cccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822326732 599057155 /nfs/dbraw/zinc/05/71/55/599057155.db2.gz ACWBGXIWYQECTG-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000820274065 599069392 /nfs/dbraw/zinc/06/93/92/599069392.db2.gz CVDXGYYUIMTRSD-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000820274065 599069396 /nfs/dbraw/zinc/06/93/96/599069396.db2.gz CVDXGYYUIMTRSD-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM Cc1cnc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000822394823 599105043 /nfs/dbraw/zinc/10/50/43/599105043.db2.gz IJOBMXKAAMSGGY-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM Cc1cnc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000822394823 599105044 /nfs/dbraw/zinc/10/50/44/599105044.db2.gz IJOBMXKAAMSGGY-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM COc1ccc([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821786840 599215923 /nfs/dbraw/zinc/21/59/23/599215923.db2.gz KLQGFHABBBRRSX-OAHLLOKOSA-N -1 3 367.369 2.520 20 5 FFBDHM COc1ccc([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000821786840 599215926 /nfs/dbraw/zinc/21/59/26/599215926.db2.gz KLQGFHABBBRRSX-OAHLLOKOSA-N -1 3 367.369 2.520 20 5 FFBDHM CN(Cc1ccc2ccccc2c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821612353 599252126 /nfs/dbraw/zinc/25/21/26/599252126.db2.gz RPPRTZANRXWLEH-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM CN(Cc1ccc2ccccc2c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821612353 599252127 /nfs/dbraw/zinc/25/21/27/599252127.db2.gz RPPRTZANRXWLEH-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736116244 598498160 /nfs/dbraw/zinc/49/81/60/598498160.db2.gz LWHAWMHUQKXYAT-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736116244 598498161 /nfs/dbraw/zinc/49/81/61/598498161.db2.gz LWHAWMHUQKXYAT-MRVPVSSYSA-N -1 3 374.307 2.544 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC(F)F)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000738373887 598499989 /nfs/dbraw/zinc/49/99/89/598499989.db2.gz JLOBCTBDAMAJTF-UHFFFAOYSA-N -1 3 367.247 2.654 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC(F)F)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000738373887 598499991 /nfs/dbraw/zinc/49/99/91/598499991.db2.gz JLOBCTBDAMAJTF-UHFFFAOYSA-N -1 3 367.247 2.654 20 5 FFBDHM CN(CCOc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821604806 599373633 /nfs/dbraw/zinc/37/36/33/599373633.db2.gz HPCNOPQAQVMJDX-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM CN(CCOc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821604806 599373636 /nfs/dbraw/zinc/37/36/36/599373636.db2.gz HPCNOPQAQVMJDX-UHFFFAOYSA-N -1 3 374.788 2.944 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820395975 599522254 /nfs/dbraw/zinc/52/22/54/599522254.db2.gz AQWPDJWBHUHHNA-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820395975 599522255 /nfs/dbraw/zinc/52/22/55/599522255.db2.gz AQWPDJWBHUHHNA-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC3CCSCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645181 599555735 /nfs/dbraw/zinc/55/57/35/599555735.db2.gz PAPRFFCAKCFUBN-UHFFFAOYSA-N -1 3 371.426 2.878 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC3CCSCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645181 599555740 /nfs/dbraw/zinc/55/57/40/599555740.db2.gz PAPRFFCAKCFUBN-UHFFFAOYSA-N -1 3 371.426 2.878 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639508 599580968 /nfs/dbraw/zinc/58/09/68/599580968.db2.gz BJPTVUZACMTLLR-CQSZACIVSA-N -1 3 350.382 2.844 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639508 599580972 /nfs/dbraw/zinc/58/09/72/599580972.db2.gz BJPTVUZACMTLLR-CQSZACIVSA-N -1 3 350.382 2.844 20 5 FFBDHM CCc1ccc([C@@H](COC)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821480819 599585090 /nfs/dbraw/zinc/58/50/90/599585090.db2.gz FIWGXCJSFRKOFU-CYBMUJFWSA-N -1 3 358.358 2.730 20 5 FFBDHM CCc1ccc([C@@H](COC)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821480819 599585093 /nfs/dbraw/zinc/58/50/93/599585093.db2.gz FIWGXCJSFRKOFU-CYBMUJFWSA-N -1 3 358.358 2.730 20 5 FFBDHM CO[C@@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC000821677561 599687576 /nfs/dbraw/zinc/68/75/76/599687576.db2.gz ZTRPMDFNBDPISX-AWEZNQCLSA-N -1 3 371.401 2.796 20 5 FFBDHM CO[C@@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC000821677561 599687577 /nfs/dbraw/zinc/68/75/77/599687577.db2.gz ZTRPMDFNBDPISX-AWEZNQCLSA-N -1 3 371.401 2.796 20 5 FFBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824394581 607732852 /nfs/dbraw/zinc/73/28/52/607732852.db2.gz YCEHHFAYHRHHJX-ZANVPECISA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](C[C@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824394581 607732854 /nfs/dbraw/zinc/73/28/54/607732854.db2.gz YCEHHFAYHRHHJX-ZANVPECISA-N -1 3 360.399 2.761 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3C[C@H]4CCCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645591 606106373 /nfs/dbraw/zinc/10/63/73/606106373.db2.gz UMJNHAIOWGEZNY-VXGBXAGGSA-N -1 3 365.397 2.950 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3C[C@H]4CCCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645591 606106375 /nfs/dbraw/zinc/10/63/75/606106375.db2.gz UMJNHAIOWGEZNY-VXGBXAGGSA-N -1 3 365.397 2.950 20 5 FFBDHM Cc1cc(NCCNc2ccc(-c3nnn[n-]3)cn2)c(Cl)cc1[N+](=O)[O-] ZINC000822209455 606136555 /nfs/dbraw/zinc/13/65/55/606136555.db2.gz JOIRRJTXWPIHHQ-UHFFFAOYSA-N -1 3 374.792 2.656 20 5 FFBDHM Cc1cc(NCCNc2ccc(-c3nn[n-]n3)cn2)c(Cl)cc1[N+](=O)[O-] ZINC000822209455 606136557 /nfs/dbraw/zinc/13/65/57/606136557.db2.gz JOIRRJTXWPIHHQ-UHFFFAOYSA-N -1 3 374.792 2.656 20 5 FFBDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1F ZINC000821395163 606170161 /nfs/dbraw/zinc/17/01/61/606170161.db2.gz SBBAZPJKORCOLJ-UHFFFAOYSA-N -1 3 359.317 2.892 20 5 FFBDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc([N+](=O)[O-])cc1F ZINC000821395163 606170162 /nfs/dbraw/zinc/17/01/62/606170162.db2.gz SBBAZPJKORCOLJ-UHFFFAOYSA-N -1 3 359.317 2.892 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OCC(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000823651783 606242347 /nfs/dbraw/zinc/24/23/47/606242347.db2.gz QHXBZOAMQPCKKA-UHFFFAOYSA-N -1 3 363.284 2.557 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OCC(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000823651783 606242348 /nfs/dbraw/zinc/24/23/48/606242348.db2.gz QHXBZOAMQPCKKA-UHFFFAOYSA-N -1 3 363.284 2.557 20 5 FFBDHM C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502466 606345981 /nfs/dbraw/zinc/34/59/81/606345981.db2.gz SFXFLJQCLBCSPI-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502466 606345983 /nfs/dbraw/zinc/34/59/83/606345983.db2.gz SFXFLJQCLBCSPI-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@H]2SCCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000823651948 606477902 /nfs/dbraw/zinc/47/79/02/606477902.db2.gz SMWCMIGYUIHEFE-CQSZACIVSA-N -1 3 369.410 2.612 20 5 FFBDHM O=[N+]([O-])c1cnc(NC[C@H]2SCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000823651948 606477904 /nfs/dbraw/zinc/47/79/04/606477904.db2.gz SMWCMIGYUIHEFE-CQSZACIVSA-N -1 3 369.410 2.612 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC000821360787 606880086 /nfs/dbraw/zinc/88/00/86/606880086.db2.gz SMMUOLVPMSWHMA-CABCVRRESA-N -1 3 358.402 2.559 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCC2 ZINC000821360787 606880087 /nfs/dbraw/zinc/88/00/87/606880087.db2.gz SMMUOLVPMSWHMA-CABCVRRESA-N -1 3 358.402 2.559 20 5 FFBDHM O=[N+]([O-])c1ccc(N(Cc2ccco2)C[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000823640048 607042623 /nfs/dbraw/zinc/04/26/23/607042623.db2.gz QIJQADVDYCOBTM-CQSZACIVSA-N -1 3 370.369 2.554 20 5 FFBDHM O=[N+]([O-])c1ccc(N(Cc2ccco2)C[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000823640048 607042625 /nfs/dbraw/zinc/04/26/25/607042625.db2.gz QIJQADVDYCOBTM-CQSZACIVSA-N -1 3 370.369 2.554 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000826497766 607849921 /nfs/dbraw/zinc/84/99/21/607849921.db2.gz TZVGGAUFHZUJRB-DFBGVHRSSA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000826497766 607849922 /nfs/dbraw/zinc/84/99/22/607849922.db2.gz TZVGGAUFHZUJRB-DFBGVHRSSA-N -1 3 356.386 2.535 20 5 FFBDHM Cc1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826291535 607863568 /nfs/dbraw/zinc/86/35/68/607863568.db2.gz KMWIFEVYESJSCD-CLFYSBASSA-N -1 3 351.322 2.702 20 5 FFBDHM Cc1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826291535 607863569 /nfs/dbraw/zinc/86/35/69/607863569.db2.gz KMWIFEVYESJSCD-CLFYSBASSA-N -1 3 351.322 2.702 20 5 FFBDHM Cc1cc(C)cc([C@@H](O)COc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC000826264525 607876524 /nfs/dbraw/zinc/87/65/24/607876524.db2.gz REORBQXARAMQAA-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc(C)cc([C@@H](O)COc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC000826264525 607876525 /nfs/dbraw/zinc/87/65/25/607876525.db2.gz REORBQXARAMQAA-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM CCOc1cc(Oc2ccc(-c3nnn[n-]3)cc2OC)ccc1[N+](=O)[O-] ZINC000825616190 608170584 /nfs/dbraw/zinc/17/05/84/608170584.db2.gz ZICQUDXBGJRQLS-UHFFFAOYSA-N -1 3 357.326 2.975 20 5 FFBDHM CCOc1cc(Oc2ccc(-c3nn[n-]n3)cc2OC)ccc1[N+](=O)[O-] ZINC000825616190 608170585 /nfs/dbraw/zinc/17/05/85/608170585.db2.gz ZICQUDXBGJRQLS-UHFFFAOYSA-N -1 3 357.326 2.975 20 5 FFBDHM Cc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)ccc1[N+](=O)[O-] ZINC000826261930 608436967 /nfs/dbraw/zinc/43/69/67/608436967.db2.gz YLVFPICFHWUUJX-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)ccc1[N+](=O)[O-] ZINC000826261930 608436968 /nfs/dbraw/zinc/43/69/68/608436968.db2.gz YLVFPICFHWUUJX-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000824633267 608487552 /nfs/dbraw/zinc/48/75/52/608487552.db2.gz JLPFBHFHNVNIDA-SNVBAGLBSA-N -1 3 365.353 2.767 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000825480777 609179197 /nfs/dbraw/zinc/17/91/97/609179197.db2.gz KCYZNGVQJADQHQ-UHFFFAOYSA-N -1 3 357.349 2.958 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)c(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000826276553 609320738 /nfs/dbraw/zinc/32/07/38/609320738.db2.gz KZQTZNKKNKMAGJ-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)c(NCCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000826276553 609320740 /nfs/dbraw/zinc/32/07/40/609320740.db2.gz KZQTZNKKNKMAGJ-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM CC(=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942755 609505489 /nfs/dbraw/zinc/50/54/89/609505489.db2.gz ISSGFJPALOJHTG-CSKARUKUSA-N -1 3 368.328 2.956 20 5 FFBDHM CC(=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823942755 609505491 /nfs/dbraw/zinc/50/54/91/609505491.db2.gz ISSGFJPALOJHTG-CSKARUKUSA-N -1 3 368.328 2.956 20 5 FFBDHM C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122739402 728651186 /nfs/dbraw/zinc/65/11/86/728651186.db2.gz BDHOZHCVUJHANQ-ABAIWWIYSA-N -1 3 368.386 2.524 20 5 FFBDHM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])ccc1F ZINC000133406480 728726877 /nfs/dbraw/zinc/72/68/77/728726877.db2.gz WFSLKHKZJOBKNO-UHFFFAOYSA-N -1 3 369.330 2.627 20 5 FFBDHM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000134491739 728730545 /nfs/dbraw/zinc/73/05/45/728730545.db2.gz OJKHWTXTEYBSEB-CQSZACIVSA-N -1 3 370.814 2.569 20 5 FFBDHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000263497246 729690862 /nfs/dbraw/zinc/69/08/62/729690862.db2.gz JZQLJSLKULCYHI-MEDUHNTESA-N -1 3 356.325 2.883 20 5 FFBDHM COc1cc(CNCc2ncc(Br)s2)c([N+](=O)[O-])cc1[O-] ZINC000865850241 731003821 /nfs/dbraw/zinc/00/38/21/731003821.db2.gz VUMRYVBYBGYZCL-UHFFFAOYSA-N -1 3 374.216 2.818 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCOC2)c(Cl)c1 ZINC000867736469 731218645 /nfs/dbraw/zinc/21/86/45/731218645.db2.gz MIEJWKXEAHJDQJ-XHDPSFHLSA-N -1 3 374.846 2.732 20 5 FFBDHM CS(=O)(=O)[N-]c1cc(C(=O)OCc2csc([N+](=O)[O-])c2)ccc1F ZINC000725991713 734403486 /nfs/dbraw/zinc/40/34/86/734403486.db2.gz AISDYFVKYWBFTL-UHFFFAOYSA-N -1 3 374.371 2.524 20 5 FFBDHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742293778 735221015 /nfs/dbraw/zinc/22/10/15/735221015.db2.gz SNITXNBASOARES-KWQFWETISA-N -1 3 363.233 2.824 20 5 FFBDHM CC(C)(C)n1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000784472291 738895477 /nfs/dbraw/zinc/89/54/77/738895477.db2.gz GSKDPZHGDNOIDC-UHFFFAOYSA-N -1 3 368.191 2.956 20 5 FFBDHM O=C([N-]c1nc2ccc(Br)cc2s1)c1n[nH]cc1[N+](=O)[O-] ZINC000763488238 736941441 /nfs/dbraw/zinc/94/14/41/736941441.db2.gz XBNYFCOAEACYGG-UHFFFAOYSA-N -1 3 368.172 2.942 20 5 FFBDHM Cc1ccsc1[C@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778420564 738381549 /nfs/dbraw/zinc/38/15/49/738381549.db2.gz XJFANXQTPKEUNP-LBPRGKRZSA-N -1 3 356.350 2.906 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1cc([N+](=O)[O-])ccc1Br)C2 ZINC000931311231 739242962 /nfs/dbraw/zinc/24/29/62/739242962.db2.gz GFACTJAGEALFQT-UHFFFAOYSA-N -1 3 365.187 2.677 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)cnc1Cl ZINC000795635695 740047171 /nfs/dbraw/zinc/04/71/71/740047171.db2.gz NZUUPHPPLJWNHA-UHFFFAOYSA-N -1 3 357.775 2.761 20 5 FFBDHM C[C@]1(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000832365913 745684403 /nfs/dbraw/zinc/68/44/03/745684403.db2.gz XEEHMAPXQZDNKQ-VIFPVBQESA-N -1 3 359.256 2.909 20 5 FFBDHM CCn1ccnc1[C@@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848591451 748968387 /nfs/dbraw/zinc/96/83/87/748968387.db2.gz MUHSTJBETUXDPA-SNVBAGLBSA-N -1 3 354.313 2.660 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cc(F)ccc32)c(-c2nnn[n-]2)c1 ZINC000826500695 948415770 /nfs/dbraw/zinc/41/57/70/948415770.db2.gz IGBLUHUFKFVFTO-CQSZACIVSA-N -1 3 355.333 2.799 20 5 FFBDHM O=[N+]([O-])c1cnc(N[C@@H]2CCCc3cc(F)ccc32)c(-c2nn[n-]n2)c1 ZINC000826500695 948415772 /nfs/dbraw/zinc/41/57/72/948415772.db2.gz IGBLUHUFKFVFTO-CQSZACIVSA-N -1 3 355.333 2.799 20 5 FFBDHM COc1cc(CNCc2cccc(C3(C)OCCO3)c2)c([N+](=O)[O-])cc1[O-] ZINC001202536072 1013291828 /nfs/dbraw/zinc/29/18/28/1013291828.db2.gz IJBIQLNLHDBAMU-UHFFFAOYSA-N -1 3 374.393 2.818 20 5 FFBDHM C[C@](CO)(Cc1ccccc1F)NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001592734222 979260236 /nfs/dbraw/zinc/26/02/36/979260236.db2.gz TXRQKPIQZVHZQY-GOSISDBHSA-N -1 3 362.357 2.515 20 5 FFBDHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000913298929 984229208 /nfs/dbraw/zinc/22/92/08/984229208.db2.gz TYHMVPXZAMHOAE-JTQLQIEISA-N -1 3 370.321 2.762 20 5 FFBDHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000913298929 984229210 /nfs/dbraw/zinc/22/92/10/984229210.db2.gz TYHMVPXZAMHOAE-JTQLQIEISA-N -1 3 370.321 2.762 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1(C)C ZINC001596811528 985363765 /nfs/dbraw/zinc/36/37/65/985363765.db2.gz VUSHGPNGLBPRKQ-CVEARBPZSA-N -1 3 366.414 2.694 20 5 FFBDHM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC001593146926 993947886 /nfs/dbraw/zinc/94/78/86/993947886.db2.gz VDKVUVMJZFPEAU-PXAZEXFGSA-N -1 3 371.393 2.714 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(OC)cc3c(OC)ccnc23)n1 ZINC001133098603 995299039 /nfs/dbraw/zinc/29/90/39/995299039.db2.gz HAYROVZAABBOSK-UHFFFAOYSA-N -1 3 371.353 2.629 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C12CCC2 ZINC001187082114 1003561593 /nfs/dbraw/zinc/56/15/93/1003561593.db2.gz OSBQGHWOBUBJEI-HUUCEWRRSA-N -1 3 372.418 2.668 20 5 FFBDHM CC(=O)N1CCC(Cn2ncc(C)c2Nc2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC001199828184 1005043481 /nfs/dbraw/zinc/04/34/81/1005043481.db2.gz BZANGYMASRPUOQ-UHFFFAOYSA-N -1 3 373.413 2.807 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc3nc(C4CCOCC4)nn3c2)c1 ZINC001199828321 1005043905 /nfs/dbraw/zinc/04/39/05/1005043905.db2.gz GKSXVJMJJPFXQP-UHFFFAOYSA-N -1 3 355.354 2.981 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCCC2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC001190714216 1007742301 /nfs/dbraw/zinc/74/23/01/1007742301.db2.gz BBYJCDWCXGVXTB-UHFFFAOYSA-N -1 3 360.407 2.527 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001136496587 1008496221 /nfs/dbraw/zinc/49/62/21/1008496221.db2.gz JDHPLTPFOWUQRL-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001136496587 1008496223 /nfs/dbraw/zinc/49/62/23/1008496223.db2.gz JDHPLTPFOWUQRL-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3ncccc3C(F)(F)F)no2)cc1[N+](=O)[O-] ZINC001212844436 1009549735 /nfs/dbraw/zinc/54/97/35/1009549735.db2.gz UDOLHRNTTPHJIH-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000754282970 1023450502 /nfs/dbraw/zinc/45/05/02/1023450502.db2.gz XXGZBOQIMFJEKW-UHFFFAOYSA-N -1 3 363.322 2.683 20 5 FFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837475293 1025832703 /nfs/dbraw/zinc/83/27/03/1025832703.db2.gz KOCWWOQNJRGXIT-UHFFFAOYSA-N -1 3 368.349 2.666 20 5 FFBDHM COc1cc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc([N+](=O)[O-])c1C ZINC000837664423 1025952682 /nfs/dbraw/zinc/95/26/82/1025952682.db2.gz OWTUNXUXUPMNDR-UHFFFAOYSA-N -1 3 359.338 2.642 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797316 1028460048 /nfs/dbraw/zinc/46/00/48/1028460048.db2.gz NXWKERQJBWHQKW-SNVBAGLBSA-N -1 3 374.422 2.765 20 5 FFBDHM Cc1cccc([O-])c1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001154845275 1028480500 /nfs/dbraw/zinc/48/05/00/1028480500.db2.gz SLOCHYRGMCTJDQ-UHFFFAOYSA-N -1 3 354.366 2.848 20 5 FFBDHM O=[N+]([O-])c1c([O-])cccc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001225620139 1034337607 /nfs/dbraw/zinc/33/76/07/1034337607.db2.gz NIVCOCAYRDMZOC-INIZCTEOSA-N -1 3 358.394 2.970 20 5 FFBDHM Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([O-])cc(Br)c1 ZINC001140708629 1035955610 /nfs/dbraw/zinc/95/56/10/1035955610.db2.gz IBVCHGASXHFFSJ-UHFFFAOYSA-N -1 3 352.144 2.897 20 5 FFBDHM C[C@@H](Oc1n[n-]c(-c2ccncc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228697137 1036268195 /nfs/dbraw/zinc/26/81/95/1036268195.db2.gz IGWDSEVDXVRLGJ-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM CC[C@@H](Oc1cc([O-])c(OC)c2c1c(=O)c1ccccc1n2C)C(=O)OC ZINC001234175006 1036956507 /nfs/dbraw/zinc/95/65/07/1036956507.db2.gz BYFVSFLUXKEERH-CQSZACIVSA-N -1 3 371.389 2.736 20 5 FFBDHM COc1c([O-])ccc2c(=O)c3c(O[C@@H](C)C[N+](C)(C)C)cc([O-])cc3oc21 ZINC001234750945 1037167534 /nfs/dbraw/zinc/16/75/34/1037167534.db2.gz ISCBYBVAEOODCA-NSHDSACASA-O -1 3 374.413 2.840 20 5 FFBDHM COc1c([O-])ccc2c(=O)c3c(O[C@H](C)C[N+](C)(C)C)cc([O-])cc3oc21 ZINC001234750941 1037167708 /nfs/dbraw/zinc/16/77/08/1037167708.db2.gz ISCBYBVAEOODCA-LLVKDONJSA-O -1 3 374.413 2.840 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)c1 ZINC001251389538 1039107419 /nfs/dbraw/zinc/10/74/19/1039107419.db2.gz OCZCZRKCMQPSPR-UHFFFAOYSA-N -1 3 358.329 2.819 20 5 FFBDHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1C ZINC001538118308 1070345230 /nfs/dbraw/zinc/34/52/30/1070345230.db2.gz NAPPERHDKDYSBN-UHFFFAOYSA-N -1 3 351.265 2.615 20 5 FFBDHM COc1cc([O-])c(-c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)cc1OC ZINC001216744903 1042111430 /nfs/dbraw/zinc/11/14/30/1042111430.db2.gz KVBDWQFRNDSHGI-UHFFFAOYSA-N -1 3 362.273 2.569 20 5 FFBDHM Cc1nc(C)c(CCC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001538849967 1070505783 /nfs/dbraw/zinc/50/57/83/1070505783.db2.gz OIQCZDYHZNAABO-NSHDSACASA-N -1 3 358.398 2.560 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cncc([O-])c1 ZINC001320369717 1045397958 /nfs/dbraw/zinc/39/79/58/1045397958.db2.gz IOYDSSCHVCBEBI-UHFFFAOYSA-N -1 3 353.128 2.815 20 5 FFBDHM CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1 ZINC001294243065 1049717349 /nfs/dbraw/zinc/71/73/49/1049717349.db2.gz BQJSHUCWURALEJ-HNNXBMFYSA-N -1 3 363.801 2.987 20 5 FFBDHM Cn1ncc2c1nc(SCc1ccc(Cl)c([N+](=O)[O-])c1)[n-]c2=O ZINC001307371252 1052294797 /nfs/dbraw/zinc/29/47/97/1052294797.db2.gz AHZJPNSKPMQIDR-UHFFFAOYSA-N -1 3 351.775 2.923 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC001521393746 1060572691 /nfs/dbraw/zinc/57/26/91/1060572691.db2.gz GPQOLBSDLCSRSK-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1C ZINC001458469074 1060596912 /nfs/dbraw/zinc/59/69/12/1060596912.db2.gz NXUXHBLYDUPJCV-NSHDSACASA-N -1 3 360.370 2.503 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC001460783219 1061102021 /nfs/dbraw/zinc/10/20/21/1061102021.db2.gz CMNDKBYZNAHEDP-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])nc21 ZINC001435633670 1062530333 /nfs/dbraw/zinc/53/03/33/1062530333.db2.gz UMVXWYXRYVPMJW-UHFFFAOYSA-N -1 3 372.312 2.578 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@H]1F ZINC001464348886 1062560948 /nfs/dbraw/zinc/56/09/48/1062560948.db2.gz NIMIARRHXPGAKW-CJNGLKHVSA-N -1 3 350.371 2.899 20 5 FFBDHM COC(=O)c1cnc(Cl)c([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC001438317973 1062985740 /nfs/dbraw/zinc/98/57/40/1062985740.db2.gz QOCBLOKEQSFEHB-UHFFFAOYSA-N -1 3 371.683 2.960 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[n-]1 ZINC001470843965 1064466539 /nfs/dbraw/zinc/46/65/39/1064466539.db2.gz YZQOQVATRKHMED-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c[n-]1 ZINC001470843965 1064466544 /nfs/dbraw/zinc/46/65/44/1064466544.db2.gz YZQOQVATRKHMED-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM COC(=O)Cc1ccc(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1 ZINC001472887551 1065167708 /nfs/dbraw/zinc/16/77/08/1065167708.db2.gz DIFDLLFHXDAMFR-ZETCQYMHSA-N -1 3 373.291 2.620 20 5 FFBDHM CCOC(=O)[C@@H](CC)N(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])C1CC1 ZINC001474456261 1065526988 /nfs/dbraw/zinc/52/69/88/1065526988.db2.gz MBTGVOGTXXQMMD-CYBMUJFWSA-N -1 3 352.387 2.615 20 5 FFBDHM CCOc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1OC ZINC001578396711 1078469219 /nfs/dbraw/zinc/46/92/19/1078469219.db2.gz KABHGGPNISLELQ-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM CCOc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1OC ZINC001578396711 1078469222 /nfs/dbraw/zinc/46/92/22/1078469222.db2.gz KABHGGPNISLELQ-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM CC[C@@H](NC(=O)c1cscc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001578423229 1078472298 /nfs/dbraw/zinc/47/22/98/1078472298.db2.gz LVBPOHIEMAOXBT-CYBMUJFWSA-N -1 3 358.383 2.718 20 5 FFBDHM CC[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001578423229 1078472304 /nfs/dbraw/zinc/47/23/04/1078472304.db2.gz LVBPOHIEMAOXBT-CYBMUJFWSA-N -1 3 358.383 2.718 20 5 FFBDHM COc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001579913232 1078713407 /nfs/dbraw/zinc/71/34/07/1078713407.db2.gz KLPSCXPDXSEMNT-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001579913232 1078713412 /nfs/dbraw/zinc/71/34/12/1078713412.db2.gz KLPSCXPDXSEMNT-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc(CN2CCCc3c(-c4nnn[n-]4)cccc32)cc1[N+](=O)[O-] ZINC001580006009 1078730953 /nfs/dbraw/zinc/73/09/53/1078730953.db2.gz WHUQIHYGMTZQLW-UHFFFAOYSA-N -1 3 366.381 2.736 20 5 FFBDHM COc1ccc(CN2CCCc3c(-c4nn[n-]n4)cccc32)cc1[N+](=O)[O-] ZINC001580006009 1078730958 /nfs/dbraw/zinc/73/09/58/1078730958.db2.gz WHUQIHYGMTZQLW-UHFFFAOYSA-N -1 3 366.381 2.736 20 5 FFBDHM Cc1cc(N2CCC[C@H]2COC(C)(C)C)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580970004 1078899724 /nfs/dbraw/zinc/89/97/24/1078899724.db2.gz VQAJAOOYKDAEMU-LBPRGKRZSA-N -1 3 360.418 2.867 20 5 FFBDHM Cc1cc(N2CCC[C@H]2COC(C)(C)C)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580970004 1078899729 /nfs/dbraw/zinc/89/97/29/1078899729.db2.gz VQAJAOOYKDAEMU-LBPRGKRZSA-N -1 3 360.418 2.867 20 5 FFBDHM Cc1cc(Oc2ccc([N+](=O)[O-])c(C(N)=O)c2)c(C)c(C)c1-c1nn[n-]n1 ZINC001581043547 1078910071 /nfs/dbraw/zinc/91/00/71/1078910071.db2.gz DSLWXNDUFXHVLT-UHFFFAOYSA-N -1 3 368.353 2.591 20 5 FFBDHM O=C(N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1[N+](=O)[O-] ZINC001582302227 1079037935 /nfs/dbraw/zinc/03/79/35/1079037935.db2.gz COQRQSGTXXUTFV-HNNXBMFYSA-N -1 3 364.365 2.582 20 5 FFBDHM O=C(N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1[N+](=O)[O-] ZINC001582302227 1079037946 /nfs/dbraw/zinc/03/79/46/1079037946.db2.gz COQRQSGTXXUTFV-HNNXBMFYSA-N -1 3 364.365 2.582 20 5 FFBDHM O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001582635573 1079079933 /nfs/dbraw/zinc/07/99/33/1079079933.db2.gz MHVSEKLXFCYYGR-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC001582635573 1079079945 /nfs/dbraw/zinc/07/99/45/1079079945.db2.gz MHVSEKLXFCYYGR-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1csc(-c2nnn[n-]2)c1 ZINC001582653740 1079091990 /nfs/dbraw/zinc/09/19/90/1079091990.db2.gz WCEZMCKVTOKJAJ-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001582703171 1079101994 /nfs/dbraw/zinc/10/19/94/1079101994.db2.gz UVLQKHAXDUMXRO-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001582703171 1079102000 /nfs/dbraw/zinc/10/20/00/1079102000.db2.gz UVLQKHAXDUMXRO-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM Cn1c(=O)oc2cc([N-]C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])c(F)cc21 ZINC001583409371 1079210092 /nfs/dbraw/zinc/21/00/92/1079210092.db2.gz AGBFCGZPHKAEEH-UHFFFAOYSA-N -1 3 367.239 2.709 20 5 FFBDHM C[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccccc1[N+](=O)[O-] ZINC001558602935 1076043683 /nfs/dbraw/zinc/04/36/83/1076043683.db2.gz GFKDYPNNCGTHQM-NSHDSACASA-N -1 3 352.350 2.777 20 5 FFBDHM O=c1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)nc(C2CCC2)[n-]1 ZINC001559248777 1076139639 /nfs/dbraw/zinc/13/96/39/1076139639.db2.gz JQMODPJNLXYCEX-UHFFFAOYSA-N -1 3 352.354 2.913 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)c(F)c2)c([N+](=O)[O-])c1 ZINC001588917547 1080262572 /nfs/dbraw/zinc/26/25/72/1080262572.db2.gz QDKFQVQBOOSGLE-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)c(F)c2)c([N+](=O)[O-])c1 ZINC001588917547 1080262582 /nfs/dbraw/zinc/26/25/82/1080262582.db2.gz QDKFQVQBOOSGLE-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1cccs1 ZINC001589292685 1080467290 /nfs/dbraw/zinc/46/72/90/1080467290.db2.gz HNIQYRYVUJXMFI-UHFFFAOYSA-N -1 3 359.415 2.808 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1cccs1 ZINC001589292685 1080467294 /nfs/dbraw/zinc/46/72/94/1080467294.db2.gz HNIQYRYVUJXMFI-UHFFFAOYSA-N -1 3 359.415 2.808 20 5 FFBDHM CC(C)Oc1ncccc1CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589759700 1080714844 /nfs/dbraw/zinc/71/48/44/1080714844.db2.gz USLZDMRVKJGPPT-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001589943557 1080887308 /nfs/dbraw/zinc/88/73/08/1080887308.db2.gz WBANXWOFSLENON-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001589943557 1080887315 /nfs/dbraw/zinc/88/73/15/1080887315.db2.gz WBANXWOFSLENON-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001589945845 1080888568 /nfs/dbraw/zinc/88/85/68/1080888568.db2.gz DQFVQCSXHPIQKY-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001589945845 1080888576 /nfs/dbraw/zinc/88/85/76/1080888576.db2.gz DQFVQCSXHPIQKY-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589966701 1080909137 /nfs/dbraw/zinc/90/91/37/1080909137.db2.gz CAEVDDFTJJXVNL-SNVBAGLBSA-N -1 3 369.341 2.534 20 5 FFBDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589966701 1080909140 /nfs/dbraw/zinc/90/91/40/1080909140.db2.gz CAEVDDFTJJXVNL-SNVBAGLBSA-N -1 3 369.341 2.534 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccns1 ZINC001589978447 1080917817 /nfs/dbraw/zinc/91/78/17/1080917817.db2.gz RNBYXKDGUWUEKQ-QMMMGPOBSA-N -1 3 368.382 2.953 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccns1 ZINC001589978447 1080917821 /nfs/dbraw/zinc/91/78/21/1080917821.db2.gz RNBYXKDGUWUEKQ-QMMMGPOBSA-N -1 3 368.382 2.953 20 5 FFBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001589990499 1080925530 /nfs/dbraw/zinc/92/55/30/1080925530.db2.gz JUHGMVQHXAEBDA-INIZCTEOSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001589991532 1080926331 /nfs/dbraw/zinc/92/63/31/1080926331.db2.gz RVNWZQZMXYSBLE-INIZCTEOSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@H](c1ccccc1)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590052804 1080980597 /nfs/dbraw/zinc/98/05/97/1080980597.db2.gz UXPLPIQBWHKMBA-MLGOLLRUSA-N -1 3 365.397 2.942 20 5 FFBDHM C[C@H](c1ccccc1)[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590052804 1080980603 /nfs/dbraw/zinc/98/06/03/1080980603.db2.gz UXPLPIQBWHKMBA-MLGOLLRUSA-N -1 3 365.397 2.942 20 5 FFBDHM COc1ccc(CC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000535879562 540524399 /nfs/dbraw/zinc/52/43/99/540524399.db2.gz JMRSOTZTFRIFLJ-UHFFFAOYSA-N -1 3 353.338 2.570 20 5 FFBDHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000267375961 251338436 /nfs/dbraw/zinc/33/84/36/251338436.db2.gz FNSKZAXJCPAVAS-AWEZNQCLSA-N -1 3 371.393 2.829 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272450401 252041155 /nfs/dbraw/zinc/04/11/55/252041155.db2.gz SOEUAUMJOUSBFV-ZDUSSCGKSA-N -1 3 354.384 2.552 20 5 FFBDHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272554918 252067383 /nfs/dbraw/zinc/06/73/83/252067383.db2.gz HPLIRVASNCSRLE-UHFFFAOYSA-N -1 3 370.409 2.613 20 5 FFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc3n2CCCC3)cc1SC ZINC000272815859 252138561 /nfs/dbraw/zinc/13/85/61/252138561.db2.gz LYKMKGTYCIVOSC-UHFFFAOYSA-N -1 3 363.399 2.505 20 5 FFBDHM O=C(c1ccc([O-])cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301055780 258021779 /nfs/dbraw/zinc/02/17/79/258021779.db2.gz IDSXZWSWKOHPSD-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM C[S@@](=O)Cc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000302167219 258092169 /nfs/dbraw/zinc/09/21/69/258092169.db2.gz LERQDXQKWAQUKW-JOCHJYFZSA-N -1 3 374.465 2.682 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)cc1C ZINC000330626058 258166979 /nfs/dbraw/zinc/16/69/79/258166979.db2.gz IKQCLZGKELQXSN-ZFWWWQNUSA-N -1 3 356.444 2.694 20 5 FFBDHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000331183531 258179142 /nfs/dbraw/zinc/17/91/42/258179142.db2.gz SLPAYPYVSIKLLA-AAEUAGOBSA-N -1 3 374.484 2.946 20 5 FFBDHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000331354318 258182762 /nfs/dbraw/zinc/18/27/62/258182762.db2.gz ZLUNAGBKPDTINY-MRVPVSSYSA-N -1 3 351.222 2.680 20 5 FFBDHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000064952021 506243551 /nfs/dbraw/zinc/24/35/51/506243551.db2.gz YHZRXJAXECQWBC-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000032434398 506253313 /nfs/dbraw/zinc/25/33/13/506253313.db2.gz DIVRMPNBPQHOKE-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056409500 507007684 /nfs/dbraw/zinc/00/76/84/507007684.db2.gz IQXCKSQIRPBRBQ-UHFFFAOYSA-N -1 3 374.378 2.700 20 5 FFBDHM CC(=O)N(C)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000068284326 507171581 /nfs/dbraw/zinc/17/15/81/507171581.db2.gz DIYNRODGEDISNC-UHFFFAOYSA-N -1 3 353.338 2.706 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000023389858 507350885 /nfs/dbraw/zinc/35/08/85/507350885.db2.gz HHUDOHSHCQWBCD-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM COc1cc(OCC(=O)Nc2cc(Cl)ccc2[O-])ccc1[N+](=O)[O-] ZINC000070828361 507644767 /nfs/dbraw/zinc/64/47/67/507644767.db2.gz LIYCGNDRYMSAOA-UHFFFAOYSA-N -1 3 352.730 2.980 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029939703 507796892 /nfs/dbraw/zinc/79/68/92/507796892.db2.gz LVDZXDLTKQWGNZ-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000111363345 508093903 /nfs/dbraw/zinc/09/39/03/508093903.db2.gz JVADONFPZRHWRM-SNVBAGLBSA-N -1 3 355.441 2.962 20 5 FFBDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000152988101 508537083 /nfs/dbraw/zinc/53/70/83/508537083.db2.gz YMEFRHFQZWAUOK-SNVBAGLBSA-N -1 3 372.472 2.956 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000122539363 508551205 /nfs/dbraw/zinc/55/12/05/508551205.db2.gz DIKPTPLDWCALDJ-UHFFFAOYSA-N -1 3 360.407 2.609 20 5 FFBDHM CCOCc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000123064197 508630714 /nfs/dbraw/zinc/63/07/14/508630714.db2.gz DSTJBTTXDFWQRX-UHFFFAOYSA-N -1 3 370.452 2.980 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1c(C)noc1C ZINC000119252300 508757119 /nfs/dbraw/zinc/75/71/19/508757119.db2.gz DEXVTIZUOKKAPD-LBPRGKRZSA-N -1 3 353.400 2.938 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1c(C)noc1C ZINC000119252423 508757195 /nfs/dbraw/zinc/75/71/95/508757195.db2.gz DEXVTIZUOKKAPD-GFCCVEGCSA-N -1 3 353.400 2.938 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000124374593 508822425 /nfs/dbraw/zinc/82/24/25/508822425.db2.gz IVXYPKQBEKFLQN-LBPRGKRZSA-N -1 3 362.473 2.574 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000159671281 508874269 /nfs/dbraw/zinc/87/42/69/508874269.db2.gz JYOOMSCAGHBTEW-SNVBAGLBSA-N -1 3 370.452 2.883 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(F)cc1 ZINC000124880654 508899146 /nfs/dbraw/zinc/89/91/46/508899146.db2.gz NUTLTEMBRZUKRE-CYBMUJFWSA-N -1 3 374.415 2.770 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000155375516 508988768 /nfs/dbraw/zinc/98/87/68/508988768.db2.gz LWPKHXCGXPMOPW-SJORKVTESA-N -1 3 362.407 2.544 20 5 FFBDHM Cc1nc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)sc1C ZINC000125603843 509006001 /nfs/dbraw/zinc/00/60/01/509006001.db2.gz HASGQBPTKCQNEZ-UHFFFAOYSA-N -1 3 361.470 2.559 20 5 FFBDHM CCSc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000188647712 509192839 /nfs/dbraw/zinc/19/28/39/509192839.db2.gz VZJBHGACUMWWCN-UHFFFAOYSA-N -1 3 371.415 2.719 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nccn2CC(C)C)cc1C ZINC000182416195 509228367 /nfs/dbraw/zinc/22/83/67/509228367.db2.gz GXYQNWCAMFFTQW-UHFFFAOYSA-N -1 3 366.443 2.543 20 5 FFBDHM CN(C)C(=O)c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000176245680 509400466 /nfs/dbraw/zinc/40/04/66/509400466.db2.gz RFXIUQHLONEELK-UHFFFAOYSA-N -1 3 371.328 2.564 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O)c1 ZINC000182808352 509436020 /nfs/dbraw/zinc/43/60/20/509436020.db2.gz LQIQVTVKQPKVST-SNVBAGLBSA-N -1 3 364.851 2.632 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000170735269 509744278 /nfs/dbraw/zinc/74/42/78/509744278.db2.gz QJMKJIIBESQMDA-AWEZNQCLSA-N -1 3 370.814 2.914 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000170735708 509746275 /nfs/dbraw/zinc/74/62/75/509746275.db2.gz BRPPIUFWKBSBAD-HNNXBMFYSA-N -1 3 350.396 2.569 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccccc1 ZINC000170735561 509746535 /nfs/dbraw/zinc/74/65/35/509746535.db2.gz OCUILJGEACHUHT-INIZCTEOSA-N -1 3 364.423 2.878 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000186536064 509759009 /nfs/dbraw/zinc/75/90/09/509759009.db2.gz RPRMCDBRQJQGTD-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(F)ccc21 ZINC000180136783 509770949 /nfs/dbraw/zinc/77/09/49/509770949.db2.gz JIVSHFHVPGPUKZ-CYBMUJFWSA-N -1 3 366.370 2.926 20 5 FFBDHM CCN(CC)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000186928503 509956859 /nfs/dbraw/zinc/95/68/59/509956859.db2.gz RVPBUHRCQACTMF-AWEZNQCLSA-N -1 3 364.427 2.570 20 5 FFBDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000190255410 510029440 /nfs/dbraw/zinc/02/94/40/510029440.db2.gz QYRZEUMUDWRPGC-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000184275486 510233842 /nfs/dbraw/zinc/23/38/42/510233842.db2.gz KJQPAQLITICRMS-LLVKDONJSA-N -1 3 374.802 2.552 20 5 FFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000181839090 510619799 /nfs/dbraw/zinc/61/97/99/510619799.db2.gz BFXQCRZGAHILSL-UHFFFAOYSA-N -1 3 369.381 2.633 20 5 FFBDHM CCOC(=O)c1ncc([N-]C(=O)c2cc(OCC)ccc2[N+](=O)[O-])s1 ZINC000282827497 511125094 /nfs/dbraw/zinc/12/50/94/511125094.db2.gz LBYKQVWONVASQO-UHFFFAOYSA-N -1 3 365.367 2.879 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(C(F)(F)F)c1 ZINC000279751074 511201434 /nfs/dbraw/zinc/20/14/34/511201434.db2.gz LKARCYRYMXXGMJ-QMMMGPOBSA-N -1 3 370.374 2.645 20 5 FFBDHM CSCCO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000279885664 511253227 /nfs/dbraw/zinc/25/32/27/511253227.db2.gz FKAZGADJVNHCKH-UHFFFAOYSA-N -1 3 353.169 2.521 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000323635326 511830244 /nfs/dbraw/zinc/83/02/44/511830244.db2.gz RGPAVDNLTOKQBZ-CQSZACIVSA-N -1 3 370.409 2.646 20 5 FFBDHM CO[C@@H]1Cc2ccccc2N(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)C1 ZINC000374482905 512853508 /nfs/dbraw/zinc/85/35/08/512853508.db2.gz DQNYUZOHXHFFGS-CYBMUJFWSA-N -1 3 352.350 2.689 20 5 FFBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1[N+](=O)[O-] ZINC000434229491 513264766 /nfs/dbraw/zinc/26/47/66/513264766.db2.gz VYDZWRZTUKCYQK-UHFFFAOYSA-N -1 3 361.333 2.717 20 5 FFBDHM O=C(COc1ccc([N+](=O)[O-])cc1)N=c1cc(-c2ccccc2F)o[n-]1 ZINC000448489512 513766792 /nfs/dbraw/zinc/76/67/92/513766792.db2.gz ICKVYJXDKVXFCC-UHFFFAOYSA-N -1 3 357.297 2.828 20 5 FFBDHM COCC1CCC([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000416588298 513850470 /nfs/dbraw/zinc/85/04/70/513850470.db2.gz IFWPPSCSSFKLPF-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CC1 ZINC000416587068 513850831 /nfs/dbraw/zinc/85/08/31/513850831.db2.gz HOYLBTULGQEONG-LRDDRELGSA-N -1 3 356.444 2.694 20 5 FFBDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416621383 513872420 /nfs/dbraw/zinc/87/24/20/513872420.db2.gz ILJBLANTFDDXOX-UHFFFAOYSA-N -1 3 350.824 2.730 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)cc1C ZINC000443210521 513902053 /nfs/dbraw/zinc/90/20/53/513902053.db2.gz IFYNSOUCOKQRQB-AWEZNQCLSA-N -1 3 362.407 2.883 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000443278774 513917364 /nfs/dbraw/zinc/91/73/64/513917364.db2.gz XFJZTMOEWRHAFP-UHFFFAOYSA-N -1 3 370.814 2.865 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(CSC)CC1 ZINC000451712553 513932098 /nfs/dbraw/zinc/93/20/98/513932098.db2.gz SMWJRCZEYVEKNZ-UHFFFAOYSA-N -1 3 374.484 2.804 20 5 FFBDHM C[C@@H]1[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000436748885 513966238 /nfs/dbraw/zinc/96/62/38/513966238.db2.gz HYOFLUNRNVOODQ-CJNGLKHVSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1cc(C)n(C[C@H](NCc2ccc(C(C)C)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000426742697 514030162 /nfs/dbraw/zinc/03/01/62/514030162.db2.gz QNIASUCYDIBZIK-INIZCTEOSA-N -1 3 360.414 2.775 20 5 FFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000426918450 514074777 /nfs/dbraw/zinc/07/47/77/514074777.db2.gz KFKRONTVJCYUQR-UHFFFAOYSA-N -1 3 357.244 2.975 20 5 FFBDHM COC(=O)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])Cc1ccc([O-])c(F)c1 ZINC000420630632 514208614 /nfs/dbraw/zinc/20/86/14/514208614.db2.gz FCPJYCWBNNTGAY-LBPRGKRZSA-N -1 3 363.345 2.587 20 5 FFBDHM CCc1[nH]nc(C(=O)[N-]c2cc(Cl)c(F)c(C(=O)OC)c2)c1[N+](=O)[O-] ZINC000444401497 514220677 /nfs/dbraw/zinc/22/06/77/514220677.db2.gz GWMFLNPIKJCPIS-UHFFFAOYSA-N -1 3 370.724 2.712 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000439193932 514506108 /nfs/dbraw/zinc/50/61/08/514506108.db2.gz UHZYNBIXWTZSMU-SECBINFHSA-N -1 3 371.802 2.691 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000445698179 514506557 /nfs/dbraw/zinc/50/65/57/514506557.db2.gz XSSIQVBSNZJTMX-JTQLQIEISA-N -1 3 370.349 2.859 20 5 FFBDHM Cc1ccc(NC(=O)NCCCNC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000479775086 514718925 /nfs/dbraw/zinc/71/89/25/514718925.db2.gz MHRHPFGIXVTDNR-UHFFFAOYSA-N -1 3 372.381 2.550 20 5 FFBDHM CO[C@@H]1CCC[C@H](CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000479859183 514746704 /nfs/dbraw/zinc/74/67/04/514746704.db2.gz LVVBVPLCMOIOFH-SWLSCSKDSA-N -1 3 358.398 2.941 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000479912461 514773536 /nfs/dbraw/zinc/77/35/36/514773536.db2.gz GTUHNXAUKAJHTR-HNNXBMFYSA-N -1 3 368.411 2.693 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(F)c1 ZINC000467073195 514888304 /nfs/dbraw/zinc/88/83/04/514888304.db2.gz FPHNBXFNXMGINZ-UHFFFAOYSA-N -1 3 360.388 2.591 20 5 FFBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])c1F ZINC000485157763 514940123 /nfs/dbraw/zinc/94/01/23/514940123.db2.gz GDKVDCRVAFSWSP-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000467258958 514954732 /nfs/dbraw/zinc/95/47/32/514954732.db2.gz PPCBBAXCARGNEU-CYBMUJFWSA-N -1 3 352.437 2.801 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000462325086 514997199 /nfs/dbraw/zinc/99/71/99/514997199.db2.gz GXFVALDMQFANRM-UONOGXRCSA-N -1 3 374.846 2.874 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)c1C ZINC000480946220 515147087 /nfs/dbraw/zinc/14/70/87/515147087.db2.gz ANGOXYKWHRQZRB-JSGCOSHPSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)c1C ZINC000480992119 515165203 /nfs/dbraw/zinc/16/52/03/515165203.db2.gz VIYXJCMUGOTKBZ-GOEBONIOSA-N -1 3 370.471 2.941 20 5 FFBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1[N+](=O)[O-] ZINC000467989817 515189121 /nfs/dbraw/zinc/18/91/21/515189121.db2.gz HILZIERZVSSMLV-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000476920008 515250174 /nfs/dbraw/zinc/25/01/74/515250174.db2.gz DCNJRSKIEWUSAH-CQSZACIVSA-N -1 3 362.407 2.932 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000509794680 515328633 /nfs/dbraw/zinc/32/86/33/515328633.db2.gz MIQDHXCARCVMPY-KBPBESRZSA-N -1 3 350.371 2.877 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000491608588 515461195 /nfs/dbraw/zinc/46/11/95/515461195.db2.gz ZIRXQSWPGHWCLD-YVMONPNESA-N -1 3 366.370 2.734 20 5 FFBDHM CCc1cnccc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000486711490 515605793 /nfs/dbraw/zinc/60/57/93/515605793.db2.gz RTCYYFUXPYXVTI-UHFFFAOYSA-N -1 3 369.830 2.993 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000505929496 515727184 /nfs/dbraw/zinc/72/71/84/515727184.db2.gz DOCMPUOMVGAASJ-CJNGLKHVSA-N -1 3 355.394 2.866 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000473854732 515778166 /nfs/dbraw/zinc/77/81/66/515778166.db2.gz ZJBFMTHUXRZJTF-SFHVURJKSA-N -1 3 374.400 2.930 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)cc1C ZINC000506199897 515813949 /nfs/dbraw/zinc/81/39/49/515813949.db2.gz SVSHCYFQIKMYSH-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)ccc1[N+](=O)[O-] ZINC000479131114 516069049 /nfs/dbraw/zinc/06/90/49/516069049.db2.gz SOBYXIOXZINWRP-UHFFFAOYSA-N -1 3 362.367 2.589 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000507505879 516225845 /nfs/dbraw/zinc/22/58/45/516225845.db2.gz LSIDYXLDRURSNG-ZFWWWQNUSA-N -1 3 355.394 2.866 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cccc3cccnc32)c([N+](=O)[O-])c1 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/nfs/dbraw/zinc/82/96/10/516829610.db2.gz BYXDNPUPEGNBMF-UHFFFAOYSA-N -1 3 364.361 2.618 20 5 FFBDHM Cc1ccc(F)cc1C(=O)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000541026294 516836485 /nfs/dbraw/zinc/83/64/85/516836485.db2.gz YNCPZMDHIMUUEQ-UHFFFAOYSA-N -1 3 368.324 2.676 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncnn2-c2ccccc2)c1 ZINC000555514679 516949971 /nfs/dbraw/zinc/94/99/71/516949971.db2.gz SBEGGZIVNYVQDY-UHFFFAOYSA-N -1 3 355.379 2.572 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000548620721 517092582 /nfs/dbraw/zinc/09/25/82/517092582.db2.gz WYWOMUNNZXJKIT-VIFPVBQESA-N -1 3 374.415 2.714 20 5 FFBDHM CCCOc1cccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000532906720 517196593 /nfs/dbraw/zinc/19/65/93/517196593.db2.gz QZQRPHFFBSACEO-UHFFFAOYSA-N -1 3 364.423 2.905 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000548770686 517204146 /nfs/dbraw/zinc/20/41/46/517204146.db2.gz WRWJKCRZHAHFKS-UHFFFAOYSA-N -1 3 353.382 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O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542920607 517817174 /nfs/dbraw/zinc/81/71/74/517817174.db2.gz JHNDCRGGJKUOKX-UHFFFAOYSA-N -1 3 365.252 2.827 20 5 FFBDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542920607 517817179 /nfs/dbraw/zinc/81/71/79/517817179.db2.gz JHNDCRGGJKUOKX-UHFFFAOYSA-N -1 3 365.252 2.827 20 5 FFBDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000572969129 518445346 /nfs/dbraw/zinc/44/53/46/518445346.db2.gz LCKMPNZOURWXRO-PXAZEXFGSA-N -1 3 362.407 2.579 20 5 FFBDHM Cc1ccc(NCCCNC(=O)N=c2cc3ccccn3[n-]2)c([N+](=O)[O-])c1 ZINC000579389860 518658342 /nfs/dbraw/zinc/65/83/42/518658342.db2.gz ZENKBOUAWXYZBJ-UHFFFAOYSA-N -1 3 368.397 2.597 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000582912279 518982866 /nfs/dbraw/zinc/98/28/66/518982866.db2.gz XSGBGRCTDOWYLF-JSGCOSHPSA-N -1 3 356.382 2.935 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 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CRSNPRSZTSYPMM-UHFFFAOYSA-N -1 3 364.335 2.732 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)c(F)c1 ZINC000590764530 519357485 /nfs/dbraw/zinc/35/74/85/519357485.db2.gz JVHSZBCXHQVART-UHFFFAOYSA-N -1 3 368.333 2.563 20 5 FFBDHM COc1cc([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000591244810 519561194 /nfs/dbraw/zinc/56/11/94/519561194.db2.gz LDJCJCDGTKKWLV-MRXNPFEDSA-N -1 3 357.366 2.723 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000594835809 520181632 /nfs/dbraw/zinc/18/16/32/520181632.db2.gz XLOKIDHPEFXGGY-XHDPSFHLSA-N -1 3 362.407 2.610 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000594850103 520186960 /nfs/dbraw/zinc/18/69/60/520186960.db2.gz LJLCROPOWLNSLY-UHFFFAOYSA-N -1 3 362.454 2.651 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000594849762 520187440 /nfs/dbraw/zinc/18/74/40/520187440.db2.gz GQAWWIRKGWUPHF-UHFFFAOYSA-N -1 3 370.452 2.898 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000597841543 520271741 /nfs/dbraw/zinc/27/17/41/520271741.db2.gz HSNWLWPZMAJPPO-LBPRGKRZSA-N -1 3 350.762 2.805 20 5 FFBDHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]2CCC[C@@H]21 ZINC000600676502 520392229 /nfs/dbraw/zinc/39/22/29/520392229.db2.gz VYNLKAIIUHTHRX-KFWWJZLASA-N -1 3 372.381 2.720 20 5 FFBDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1(F)F ZINC000595351712 520423361 /nfs/dbraw/zinc/42/33/61/520423361.db2.gz KZCYMLAHZCLERV-LBPRGKRZSA-N -1 3 371.365 2.713 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)C2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000595359249 520428569 /nfs/dbraw/zinc/42/85/69/520428569.db2.gz JOMIHIZEFZWTTQ-VOMCLLRMSA-N -1 3 360.407 2.799 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C1CCC(F)CC1 ZINC000595359182 520429846 /nfs/dbraw/zinc/42/98/46/520429846.db2.gz HTELZIZMSKSPRH-UNXYVOJBSA-N -1 3 360.407 2.799 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000604042035 520434734 /nfs/dbraw/zinc/43/47/34/520434734.db2.gz HQNPVBMQIREYMM-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM CN(C)CCOc1ccccc1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592970968 520664452 /nfs/dbraw/zinc/66/44/52/520664452.db2.gz NVQUAQKWRFALLD-UHFFFAOYSA-N -1 3 359.382 2.846 20 5 FFBDHM Cc1ccccc1CN1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000592968807 520664533 /nfs/dbraw/zinc/66/45/33/520664533.db2.gz PSBCHLLFRFWFIT-UHFFFAOYSA-N -1 3 370.409 2.709 20 5 FFBDHM Cc1occc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000610955736 520919294 /nfs/dbraw/zinc/91/92/94/520919294.db2.gz HUJHLKHJASFPEL-UHFFFAOYSA-N -1 3 364.301 2.994 20 5 FFBDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000599090514 521028068 /nfs/dbraw/zinc/02/80/68/521028068.db2.gz LXVBAJBYFUNGIM-UHFFFAOYSA-N -1 3 352.778 2.571 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)nc1 ZINC000593603772 521103127 /nfs/dbraw/zinc/10/31/27/521103127.db2.gz WTGCPBUURBIAAZ-XYPYZODXSA-N -1 3 367.814 2.868 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c1C ZINC000593631994 521119707 /nfs/dbraw/zinc/11/97/07/521119707.db2.gz PKGMAIXVLPCGSQ-INIZCTEOSA-N -1 3 368.455 2.695 20 5 FFBDHM CCC([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000599397586 521198521 /nfs/dbraw/zinc/19/85/21/521198521.db2.gz RGTREFTXLRLHJN-UHFFFAOYSA-N -1 3 354.428 2.851 20 5 FFBDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000599446657 521232246 /nfs/dbraw/zinc/23/22/46/521232246.db2.gz VWCFVIKTEVSDMZ-UHFFFAOYSA-N -1 3 366.386 2.953 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1C ZINC000619483265 521591577 /nfs/dbraw/zinc/59/15/77/521591577.db2.gz GSMHQLFNWVEQNU-BDJLRTHQSA-N -1 3 362.407 2.815 20 5 FFBDHM Cc1c(I)cc([N+](=O)[O-])cc1C(=O)[N-]c1cnoc1 ZINC000619745561 521851164 /nfs/dbraw/zinc/85/11/64/521851164.db2.gz HSLCFWXFMPHHLV-UHFFFAOYSA-N -1 3 373.106 2.748 20 5 FFBDHM C[C@@H](C(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000490940521 561440721 /nfs/dbraw/zinc/44/07/21/561440721.db2.gz NJMCFFFDVGYEMR-SSDOTTSWSA-N -1 3 358.276 2.811 20 5 FFBDHM CCOc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000490979834 561441171 /nfs/dbraw/zinc/44/11/71/561441171.db2.gz ZEGOWQSBBKHXHC-UHFFFAOYSA-N -1 3 356.285 2.581 20 5 FFBDHM COCc1ncsc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000493303262 561455332 /nfs/dbraw/zinc/45/53/32/561455332.db2.gz KFGINIWVYBKOES-UHFFFAOYSA-N -1 3 359.367 2.840 20 5 FFBDHM Cc1ccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822259053 599068725 /nfs/dbraw/zinc/06/87/25/599068725.db2.gz LBBSRLAYDXUVDI-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1ccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822259053 599068729 /nfs/dbraw/zinc/06/87/29/599068729.db2.gz LBBSRLAYDXUVDI-LBPRGKRZSA-N -1 3 354.370 2.963 20 5 FFBDHM CC(=O)c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c([N+](=O)[O-])c1 ZINC000819834650 599069471 /nfs/dbraw/zinc/06/94/71/599069471.db2.gz QBOGNTSXFPKWJQ-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CC(=O)c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c([N+](=O)[O-])c1 ZINC000819834650 599069474 /nfs/dbraw/zinc/06/94/74/599069474.db2.gz QBOGNTSXFPKWJQ-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CCO[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCCC2 ZINC000821360037 599101002 /nfs/dbraw/zinc/10/10/02/599101002.db2.gz PTLCMGVODOLYLV-LSDHHAIUSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCCC2 ZINC000821360037 599101004 /nfs/dbraw/zinc/10/10/04/599101004.db2.gz PTLCMGVODOLYLV-LSDHHAIUSA-N -1 3 358.402 2.925 20 5 FFBDHM CC(C)n1ncc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc21 ZINC000735963319 599232173 /nfs/dbraw/zinc/23/21/73/599232173.db2.gz DGALSCNSVKJMLK-UHFFFAOYSA-N -1 3 365.357 2.844 20 5 FFBDHM CC(C)n1ncc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc21 ZINC000735963319 599232175 /nfs/dbraw/zinc/23/21/75/599232175.db2.gz DGALSCNSVKJMLK-UHFFFAOYSA-N -1 3 365.357 2.844 20 5 FFBDHM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000736739311 599248981 /nfs/dbraw/zinc/24/89/81/599248981.db2.gz KOJPLHJKABFJRU-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000736739311 599248984 /nfs/dbraw/zinc/24/89/84/599248984.db2.gz KOJPLHJKABFJRU-UHFFFAOYSA-N -1 3 372.772 2.634 20 5 FFBDHM C[C@H]1C[C@H](C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736229778 599252798 /nfs/dbraw/zinc/25/27/98/599252798.db2.gz RUZNHGLVRNKHBP-QWRGUYRKSA-N -1 3 353.386 2.805 20 5 FFBDHM C[C@H]1C[C@H](C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000736229778 599252800 /nfs/dbraw/zinc/25/28/00/599252800.db2.gz RUZNHGLVRNKHBP-QWRGUYRKSA-N -1 3 353.386 2.805 20 5 FFBDHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820218887 607331588 /nfs/dbraw/zinc/33/15/88/607331588.db2.gz AYXUORXIPIUZER-PIGZYNQJSA-N -1 3 366.381 2.603 20 5 FFBDHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820218887 607331589 /nfs/dbraw/zinc/33/15/89/607331589.db2.gz AYXUORXIPIUZER-PIGZYNQJSA-N -1 3 366.381 2.603 20 5 FFBDHM Cn1cc(CNCc2cccc(C(=O)[O-])c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000821297755 598194230 /nfs/dbraw/zinc/19/42/30/598194230.db2.gz HGBQWNVEAKQFQQ-UHFFFAOYSA-N -1 3 366.377 2.983 20 5 FFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738232539 598432168 /nfs/dbraw/zinc/43/21/68/598432168.db2.gz RWNHZBHMYSOFJR-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738232539 598432170 /nfs/dbraw/zinc/43/21/70/598432170.db2.gz RWNHZBHMYSOFJR-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2cccc(N3CCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738374540 598499708 /nfs/dbraw/zinc/49/97/08/598499708.db2.gz QDUYJQLCPOSPKB-UHFFFAOYSA-N -1 3 352.358 2.514 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2cccc(N3CCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738374540 598499710 /nfs/dbraw/zinc/49/97/10/598499710.db2.gz QDUYJQLCPOSPKB-UHFFFAOYSA-N -1 3 352.358 2.514 20 5 FFBDHM CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000736675151 598518550 /nfs/dbraw/zinc/51/85/50/598518550.db2.gz FODSSEZZURDFCQ-UHFFFAOYSA-N -1 3 358.383 2.960 20 5 FFBDHM CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000736675151 598518551 /nfs/dbraw/zinc/51/85/51/598518551.db2.gz FODSSEZZURDFCQ-UHFFFAOYSA-N -1 3 358.383 2.960 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820395972 599521835 /nfs/dbraw/zinc/52/18/35/599521835.db2.gz AQWPDJWBHUHHNA-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820395972 599521838 /nfs/dbraw/zinc/52/18/38/599521838.db2.gz AQWPDJWBHUHHNA-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM CC[C@@H](C)[C@@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859695 599552167 /nfs/dbraw/zinc/55/21/67/599552167.db2.gz GPQMCMCPUBFZKM-QGHHPUGFSA-N -1 3 371.401 2.532 20 5 FFBDHM CC[C@@H](C)[C@@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859695 599552170 /nfs/dbraw/zinc/55/21/70/599552170.db2.gz GPQMCMCPUBFZKM-QGHHPUGFSA-N -1 3 371.401 2.532 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229067 606448894 /nfs/dbraw/zinc/44/88/94/606448894.db2.gz LNSRKMCUDMZNQX-LBPRGKRZSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229067 606448896 /nfs/dbraw/zinc/44/88/96/606448896.db2.gz LNSRKMCUDMZNQX-LBPRGKRZSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1cc(F)cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203472 606561516 /nfs/dbraw/zinc/56/15/16/606561516.db2.gz VMEOVUSHSORDKT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(F)cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203472 606561517 /nfs/dbraw/zinc/56/15/17/606561517.db2.gz VMEOVUSHSORDKT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1noc(C2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)n1 ZINC000822527756 606609922 /nfs/dbraw/zinc/60/99/22/606609922.db2.gz CLWLLRLFDIYCPI-UHFFFAOYSA-N -1 3 370.373 2.605 20 5 FFBDHM Cc1noc(C2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)n1 ZINC000822527756 606609923 /nfs/dbraw/zinc/60/99/23/606609923.db2.gz CLWLLRLFDIYCPI-UHFFFAOYSA-N -1 3 370.373 2.605 20 5 FFBDHM Cn1cc([C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000822669911 606643591 /nfs/dbraw/zinc/64/35/91/606643591.db2.gz URAFZXBTIMLVDZ-CQSZACIVSA-N -1 3 356.390 2.708 20 5 FFBDHM Cn1cc([C@@H](Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000822669911 606643592 /nfs/dbraw/zinc/64/35/92/606643592.db2.gz URAFZXBTIMLVDZ-CQSZACIVSA-N -1 3 356.390 2.708 20 5 FFBDHM COc1ccc(CN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1F ZINC000821794747 606644765 /nfs/dbraw/zinc/64/47/65/606644765.db2.gz LZVPQDAYTNENID-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822271159 606660958 /nfs/dbraw/zinc/66/09/58/606660958.db2.gz OTHFOKVXEXZVRS-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822271159 606660959 /nfs/dbraw/zinc/66/09/59/606660959.db2.gz OTHFOKVXEXZVRS-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM O=[N+]([O-])c1ccccc1OCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823646784 606786404 /nfs/dbraw/zinc/78/64/04/606786404.db2.gz AEZAJBRQPRWKOL-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=[N+]([O-])c1ccccc1OCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823646784 606786405 /nfs/dbraw/zinc/78/64/05/606786405.db2.gz AEZAJBRQPRWKOL-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820232459 606943847 /nfs/dbraw/zinc/94/38/47/606943847.db2.gz GGSFRGWNCYOHNR-BZNIZROVSA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820232459 606943848 /nfs/dbraw/zinc/94/38/48/606943848.db2.gz GGSFRGWNCYOHNR-BZNIZROVSA-N -1 3 354.370 2.699 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470096 607948362 /nfs/dbraw/zinc/94/83/62/607948362.db2.gz BSEXKNYQUDUXEG-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470096 607948363 /nfs/dbraw/zinc/94/83/63/607948363.db2.gz BSEXKNYQUDUXEG-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826466177 608105233 /nfs/dbraw/zinc/10/52/33/608105233.db2.gz RLXKNRXOAQYGGN-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000826466177 608105234 /nfs/dbraw/zinc/10/52/34/608105234.db2.gz RLXKNRXOAQYGGN-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM CC(C)(CCCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824152758 608244336 /nfs/dbraw/zinc/24/43/36/608244336.db2.gz LYPUSZCKPYNECH-UHFFFAOYSA-N -1 3 371.401 2.534 20 5 FFBDHM CC(C)(CCCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824152758 608244338 /nfs/dbraw/zinc/24/43/38/608244338.db2.gz LYPUSZCKPYNECH-UHFFFAOYSA-N -1 3 371.401 2.534 20 5 FFBDHM C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824507043 608474013 /nfs/dbraw/zinc/47/40/13/608474013.db2.gz SDLXNWLANXADHQ-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824507043 608474015 /nfs/dbraw/zinc/47/40/15/608474015.db2.gz SDLXNWLANXADHQ-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM O=[N+]([O-])c1ccsc1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826501041 608583426 /nfs/dbraw/zinc/58/34/26/608583426.db2.gz XCTHNAZXQKUYGI-UHFFFAOYSA-N -1 3 371.426 2.553 20 5 FFBDHM O=[N+]([O-])c1ccsc1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826501041 608583428 /nfs/dbraw/zinc/58/34/28/608583428.db2.gz XCTHNAZXQKUYGI-UHFFFAOYSA-N -1 3 371.426 2.553 20 5 FFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])cc1F ZINC000825631825 609476841 /nfs/dbraw/zinc/47/68/41/609476841.db2.gz GOFKEHCDUHJEAF-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc([N+](=O)[O-])cc1F ZINC000825631825 609476842 /nfs/dbraw/zinc/47/68/42/609476842.db2.gz GOFKEHCDUHJEAF-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1nnn(C2CC2)c1C(F)(F)F ZINC000745977393 735456078 /nfs/dbraw/zinc/45/60/78/735456078.db2.gz QFBJUDHGLSHFRG-UHFFFAOYSA-N -1 3 359.239 2.931 20 5 FFBDHM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000112727694 728548388 /nfs/dbraw/zinc/54/83/88/728548388.db2.gz ALVRBIVZHFBPJS-UHFFFAOYSA-N -1 3 361.314 2.605 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000126456638 728702969 /nfs/dbraw/zinc/70/29/69/728702969.db2.gz IIVUUDDAAMFEIH-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM Cc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000742646209 735246697 /nfs/dbraw/zinc/24/66/97/735246697.db2.gz CEXFRFRUAJNXAF-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM O=C1OCc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)cc21 ZINC000800930700 740568179 /nfs/dbraw/zinc/56/81/79/740568179.db2.gz QVYFRAGUMFJKNR-UHFFFAOYSA-N -1 3 368.754 2.719 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808341860 741216304 /nfs/dbraw/zinc/21/63/04/741216304.db2.gz ICJPXEKISBVSFV-MEBBXXQBSA-N -1 3 370.814 2.649 20 5 FFBDHM O=[N+]([O-])c1ccc([C@@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826498151 743389051 /nfs/dbraw/zinc/38/90/51/743389051.db2.gz IXLVXKMSRLFBFB-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc([C@@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826498151 743389063 /nfs/dbraw/zinc/38/90/63/743389063.db2.gz IXLVXKMSRLFBFB-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM CC(C)(C)OC(=O)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000853675891 750132577 /nfs/dbraw/zinc/13/25/77/750132577.db2.gz FMPIZKSXNLFUKR-UHFFFAOYSA-N -1 3 352.391 2.531 20 5 FFBDHM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)[N-]OCc1ccccc1 ZINC000008097077 1013270696 /nfs/dbraw/zinc/27/06/96/1013270696.db2.gz DJPQJBMWYKKRSH-UHFFFAOYSA-N -1 3 371.349 2.531 20 5 FFBDHM C[C@H]1[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311951440 963523873 /nfs/dbraw/zinc/52/38/73/963523873.db2.gz JTDQXWMXGOMRPX-JSGCOSHPSA-N -1 3 356.382 2.763 20 5 FFBDHM COc1cccc([C@H]2CN(Cc3ccc([O-])c(OC)c3[N+](=O)[O-])CCO2)c1 ZINC000891928787 965418949 /nfs/dbraw/zinc/41/89/49/965418949.db2.gz JNUUOSMWRIRGKS-QGZVFWFLSA-N -1 3 374.393 2.891 20 5 FFBDHM COc1cc(C(C)=O)ccc1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000916857244 990001412 /nfs/dbraw/zinc/00/14/12/990001412.db2.gz QUTVCYYUFDLGLK-UHFFFAOYSA-N -1 3 355.306 2.902 20 5 FFBDHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001212333495 991710738 /nfs/dbraw/zinc/71/07/38/991710738.db2.gz FARYKNYVHQWMLT-XYPYZODXSA-N -1 3 362.835 2.873 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC001144392685 998440373 /nfs/dbraw/zinc/44/03/73/998440373.db2.gz MIRBVIHZJSCKFB-UONOGXRCSA-N -1 3 356.382 2.554 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)n1 ZINC000744218533 999848559 /nfs/dbraw/zinc/84/85/59/999848559.db2.gz BYUZPLBBMDVRRG-UHFFFAOYSA-N -1 3 366.333 2.867 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1CCSC1 ZINC001193628539 1004528975 /nfs/dbraw/zinc/52/89/75/1004528975.db2.gz KYCCUIJLTBAXEN-SECBINFHSA-N -1 3 350.849 2.670 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cnc3c(C4CCOCC4)cnn3c2)c1 ZINC001199828516 1005043748 /nfs/dbraw/zinc/04/37/48/1005043748.db2.gz KXPDJNMPWATNMG-UHFFFAOYSA-N -1 3 355.354 2.981 20 5 FFBDHM CN(C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000853226781 1006339737 /nfs/dbraw/zinc/33/97/37/1006339737.db2.gz HESSYLIMEJOYDD-LBPRGKRZSA-N -1 3 366.418 2.779 20 5 FFBDHM C[C@@H](NC(=O)OC(C)(C)C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853295360 1006361143 /nfs/dbraw/zinc/36/11/43/1006361143.db2.gz QLQPGBWSEMOXKW-LLVKDONJSA-N -1 3 366.418 2.825 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853664338 1006498526 /nfs/dbraw/zinc/49/85/26/1006498526.db2.gz LVQCFIPSPSKANR-SNVBAGLBSA-N -1 3 374.344 2.752 20 5 FFBDHM C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001179183936 1009271866 /nfs/dbraw/zinc/27/18/66/1009271866.db2.gz YWGLHFTVCXPQRE-MRVPVSSYSA-N -1 3 371.319 2.887 20 5 FFBDHM O=C(Oc1ccc2c(c1)OCCCO2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000726860816 1020539770 /nfs/dbraw/zinc/53/97/70/1020539770.db2.gz VWFATSDPXYLAFX-UHFFFAOYSA-N -1 3 355.306 2.852 20 5 FFBDHM C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001218029368 1032960678 /nfs/dbraw/zinc/96/06/78/1032960678.db2.gz CDABCUBHFQXCCJ-YGRLFVJLSA-N -1 3 371.389 2.830 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000754213625 1023440718 /nfs/dbraw/zinc/44/07/18/1023440718.db2.gz DNXSQEWFUYBVIU-ZHACJKMWSA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000754213625 1023440721 /nfs/dbraw/zinc/44/07/21/1023440721.db2.gz DNXSQEWFUYBVIU-ZHACJKMWSA-N -1 3 350.338 2.817 20 5 FFBDHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837780871 1026016975 /nfs/dbraw/zinc/01/69/75/1026016975.db2.gz TVKJAOXWQXDZPW-UHFFFAOYSA-N -1 3 371.349 2.674 20 5 FFBDHM CCOC(=O)c1[n-]cnc1NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153864783 1028031710 /nfs/dbraw/zinc/03/17/10/1028031710.db2.gz NPMZCUZYGLLWKS-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM CCOC(=O)c1nc[n-]c1NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153864783 1028031730 /nfs/dbraw/zinc/03/17/30/1028031730.db2.gz NPMZCUZYGLLWKS-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1OC ZINC001535459943 1069797131 /nfs/dbraw/zinc/79/71/31/1069797131.db2.gz OMHQKISPLRLBGN-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM C[C@@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001225660777 1034355925 /nfs/dbraw/zinc/35/59/25/1034355925.db2.gz GKTIPJQSRYNKBC-GHMZBOCLSA-N -1 3 353.375 2.862 20 5 FFBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663846 1034357316 /nfs/dbraw/zinc/35/73/16/1034357316.db2.gz HSYVTFIXQGHQAF-PWSUYJOCSA-N -1 3 353.375 2.720 20 5 FFBDHM O=[N+]([O-])C[C@H](Oc1[n-]c(=S)nc2cnccc21)c1ccc2c(c1)OCO2 ZINC001227886068 1035787557 /nfs/dbraw/zinc/78/75/57/1035787557.db2.gz QDKVEXNPKGKCKJ-AWEZNQCLSA-N -1 3 372.362 2.813 20 5 FFBDHM COC(=O)c1ncc2n1CCC[C@@H]2Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228677591 1036250006 /nfs/dbraw/zinc/25/00/06/1036250006.db2.gz SCAQMRYISUJHMQ-AWEZNQCLSA-N -1 3 371.353 2.677 20 5 FFBDHM CO[C@@H]1CCN(CCOc2ccc3c(c2)oc2cc([O-])ccc2c3=O)C1 ZINC001229515614 1036715040 /nfs/dbraw/zinc/71/50/40/1036715040.db2.gz XLMYJKYFRFMTCV-OAHLLOKOSA-N -1 3 355.390 2.751 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)nc1 ZINC001208064575 1037988895 /nfs/dbraw/zinc/98/88/95/1037988895.db2.gz BKMIZUXGSDDAEC-INIZCTEOSA-N -1 3 359.363 2.651 20 5 FFBDHM COc1cccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1OC ZINC001247998235 1040092836 /nfs/dbraw/zinc/09/28/36/1040092836.db2.gz AKBFFWALLKKWJI-UHFFFAOYSA-N -1 3 370.321 2.914 20 5 FFBDHM COc1cc(C)c([S@@](C)=O)cc1OC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001299684744 1040652935 /nfs/dbraw/zinc/65/29/35/1040652935.db2.gz OMLCECPAYVZBMA-RUZDIDTESA-N -1 3 365.363 2.574 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1 ZINC001332320207 1048344638 /nfs/dbraw/zinc/34/46/38/1048344638.db2.gz TYOCUPDWMWIKBT-UHFFFAOYSA-N -1 3 361.423 2.991 20 5 FFBDHM Cc1[nH]nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1-c1ccccc1F ZINC001301728392 1050966997 /nfs/dbraw/zinc/96/69/97/1050966997.db2.gz GSGDKKOTFJDOLN-UHFFFAOYSA-N -1 3 357.301 2.785 20 5 FFBDHM O=C([N-]OCc1ccc(F)cc1)c1cc([N+](=O)[O-])ncc1Br ZINC001306824570 1052194875 /nfs/dbraw/zinc/19/48/75/1052194875.db2.gz HTZQKPBAZUIKMB-UHFFFAOYSA-N -1 3 370.134 2.753 20 5 FFBDHM COc1ccc([N-]C(=O)c2coc3c2C(=O)NCC(C)(C)C3)c([N+](=O)[O-])c1 ZINC001349950223 1055556614 /nfs/dbraw/zinc/55/66/14/1055556614.db2.gz AAOYZBSUELIZBD-UHFFFAOYSA-N -1 3 373.365 2.761 20 5 FFBDHM CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1C ZINC001458469069 1060596286 /nfs/dbraw/zinc/59/62/86/1060596286.db2.gz NXUXHBLYDUPJCV-LLVKDONJSA-N -1 3 360.370 2.503 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c([N+](=O)[O-])s1 ZINC001475179168 1060983775 /nfs/dbraw/zinc/98/37/75/1060983775.db2.gz CLUSYJAOPMKQNT-UHFFFAOYSA-N -1 3 374.827 2.779 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(-c2nn[nH]n2)ccc1F ZINC001528093221 1061747674 /nfs/dbraw/zinc/74/76/74/1061747674.db2.gz DXKPNENJUJKORD-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001463216002 1061996085 /nfs/dbraw/zinc/99/60/85/1061996085.db2.gz IWIDGTILXMQWSI-UHFFFAOYSA-N -1 3 362.423 2.509 20 5 FFBDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001464494956 1062643999 /nfs/dbraw/zinc/64/39/99/1062643999.db2.gz RPUHJZSMAKOWOD-SNVBAGLBSA-N -1 3 355.803 2.991 20 5 FFBDHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC001464499189 1062648327 /nfs/dbraw/zinc/64/83/27/1062648327.db2.gz RUHOMECHSXMLNS-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM O=C(c1cnc2ccccc2c1[O-])N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001533792720 1063407969 /nfs/dbraw/zinc/40/79/69/1063407969.db2.gz GKXIRTBZBAQARW-UHFFFAOYSA-N -1 3 353.309 2.778 20 5 FFBDHM Cc1c(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cccc1[N+](=O)[O-] ZINC001466895211 1063588818 /nfs/dbraw/zinc/58/88/18/1063588818.db2.gz ZKEKVAJHNTVROF-UHFFFAOYSA-N -1 3 373.315 2.953 20 5 FFBDHM CSc1cccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1[N+](=O)[O-] ZINC001472091176 1064927613 /nfs/dbraw/zinc/92/76/13/1064927613.db2.gz QRPXXXSHRSWUIX-UHFFFAOYSA-N -1 3 364.383 2.857 20 5 FFBDHM CSc1cccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1[N+](=O)[O-] ZINC001472091176 1064927626 /nfs/dbraw/zinc/92/76/26/1064927626.db2.gz QRPXXXSHRSWUIX-UHFFFAOYSA-N -1 3 364.383 2.857 20 5 FFBDHM COc1ccccc1-c1nnc(Sc2cc[n-]c(=O)c2[N+](=O)[O-])n1C ZINC001472647531 1065120618 /nfs/dbraw/zinc/12/06/18/1065120618.db2.gz PWMWOZPNJAPLRR-UHFFFAOYSA-N -1 3 359.367 2.651 20 5 FFBDHM COc1c([O-])ccc(CNc2cccc(C(=O)NC3CC3)c2)c1[N+](=O)[O-] ZINC001474383930 1065508140 /nfs/dbraw/zinc/50/81/40/1065508140.db2.gz ILPIGYBQKGBAOD-UHFFFAOYSA-N -1 3 357.366 2.813 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2C)c([N+](=O)[O-])s1 ZINC001475074169 1065694479 /nfs/dbraw/zinc/69/44/79/1065694479.db2.gz ZJASYIVJYDFIIX-UHFFFAOYSA-N -1 3 358.416 2.933 20 5 FFBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC1CCCC1 ZINC001579433574 1078628905 /nfs/dbraw/zinc/62/89/05/1078628905.db2.gz JXATVSASRZBOOA-LBPRGKRZSA-N -1 3 374.401 2.556 20 5 FFBDHM COC(=O)[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)CC1CCCC1 ZINC001579433574 1078628906 /nfs/dbraw/zinc/62/89/06/1078628906.db2.gz JXATVSASRZBOOA-LBPRGKRZSA-N -1 3 374.401 2.556 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)cc([N+](=O)[O-])c1 ZINC001580885259 1078884480 /nfs/dbraw/zinc/88/44/80/1078884480.db2.gz NMDFRXVOEVONIS-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)cc([N+](=O)[O-])c1 ZINC001580885259 1078884484 /nfs/dbraw/zinc/88/44/84/1078884484.db2.gz NMDFRXVOEVONIS-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(CSc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC001580929018 1078893105 /nfs/dbraw/zinc/89/31/05/1078893105.db2.gz FDFMLHNMOODHHV-UHFFFAOYSA-N -1 3 369.366 2.912 20 5 FFBDHM Cc1cc(CSc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)no1 ZINC001580929018 1078893110 /nfs/dbraw/zinc/89/31/10/1078893110.db2.gz FDFMLHNMOODHHV-UHFFFAOYSA-N -1 3 369.366 2.912 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001580928897 1078893776 /nfs/dbraw/zinc/89/37/76/1078893776.db2.gz DELBGJBTBQKEGK-UHFFFAOYSA-N -1 3 373.756 2.885 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001580928897 1078893783 /nfs/dbraw/zinc/89/37/83/1078893783.db2.gz DELBGJBTBQKEGK-UHFFFAOYSA-N -1 3 373.756 2.885 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1Oc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581214023 1078939877 /nfs/dbraw/zinc/93/98/77/1078939877.db2.gz WPENSMBNHJDOGU-UHFFFAOYSA-N -1 3 360.261 2.923 20 5 FFBDHM Cc1nc2c(s1)[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)CCC2 ZINC001581531683 1078976517 /nfs/dbraw/zinc/97/65/17/1078976517.db2.gz BSRVXOZAFMTCEY-SNVBAGLBSA-N -1 3 372.414 2.612 20 5 FFBDHM Cc1nc2c(s1)[C@H](Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)CCC2 ZINC001581531683 1078976522 /nfs/dbraw/zinc/97/65/22/1078976522.db2.gz BSRVXOZAFMTCEY-SNVBAGLBSA-N -1 3 372.414 2.612 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCc2nc3ccccc3s2)c1-c1nnn[n-]1 ZINC001581909847 1079014933 /nfs/dbraw/zinc/01/49/33/1079014933.db2.gz XIDOMKRNBBKDOQ-UHFFFAOYSA-N -1 3 368.382 2.579 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCc2nc3ccccc3s2)c1-c1nn[n-]n1 ZINC001581909847 1079014939 /nfs/dbraw/zinc/01/49/39/1079014939.db2.gz XIDOMKRNBBKDOQ-UHFFFAOYSA-N -1 3 368.382 2.579 20 5 FFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1c(F)cc([O-])cc1F ZINC001559287212 1076146190 /nfs/dbraw/zinc/14/61/90/1076146190.db2.gz IHOFTZZWCCFCIA-UHFFFAOYSA-N -1 3 372.349 2.637 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001561360008 1076367521 /nfs/dbraw/zinc/36/75/21/1076367521.db2.gz OWZHJLJQWJWOMV-ZWNOBZJWSA-N -1 3 370.452 2.755 20 5 FFBDHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001561756518 1076418256 /nfs/dbraw/zinc/41/82/56/1076418256.db2.gz GZYRBDDLNNWPOD-NWDGAFQWSA-N -1 3 368.436 2.808 20 5 FFBDHM CC(C)Oc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC001574341342 1077962989 /nfs/dbraw/zinc/96/29/89/1077962989.db2.gz WLMQXAXUBUDSPJ-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM CC(C)Oc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC001574341342 1077962996 /nfs/dbraw/zinc/96/29/96/1077962996.db2.gz WLMQXAXUBUDSPJ-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001589011697 1080303803 /nfs/dbraw/zinc/30/38/03/1080303803.db2.gz JOCJFOPZCMHHRL-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001589011697 1080303809 /nfs/dbraw/zinc/30/38/09/1080303809.db2.gz JOCJFOPZCMHHRL-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM CC(C)Oc1ccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cn1 ZINC001589754859 1080707422 /nfs/dbraw/zinc/70/74/22/1080707422.db2.gz QULNPAZITVIVAI-UHFFFAOYSA-N -1 3 373.348 2.708 20 5 FFBDHM CC(C)Oc1ccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cn1 ZINC001589754859 1080707431 /nfs/dbraw/zinc/70/74/31/1080707431.db2.gz QULNPAZITVIVAI-UHFFFAOYSA-N -1 3 373.348 2.708 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589804524 1080760854 /nfs/dbraw/zinc/76/08/54/1080760854.db2.gz YOXJQDJGAZBHFK-BONVTDFDSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589804524 1080760862 /nfs/dbraw/zinc/76/08/62/1080760862.db2.gz YOXJQDJGAZBHFK-BONVTDFDSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)Cc1cccs1 ZINC001589877184 1080825004 /nfs/dbraw/zinc/82/50/04/1080825004.db2.gz PMUTXEAWLNAFIC-SECBINFHSA-N -1 3 359.415 2.709 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)Cc1cccs1 ZINC001589877184 1080825008 /nfs/dbraw/zinc/82/50/08/1080825008.db2.gz PMUTXEAWLNAFIC-SECBINFHSA-N -1 3 359.415 2.709 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)Cc1cccs1 ZINC001589877185 1080825616 /nfs/dbraw/zinc/82/56/16/1080825616.db2.gz PMUTXEAWLNAFIC-VIFPVBQESA-N -1 3 359.415 2.709 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)Cc1cccs1 ZINC001589877185 1080825622 /nfs/dbraw/zinc/82/56/22/1080825622.db2.gz PMUTXEAWLNAFIC-VIFPVBQESA-N -1 3 359.415 2.709 20 5 FFBDHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001589921468 1080861950 /nfs/dbraw/zinc/86/19/50/1080861950.db2.gz KGJQSUGHINKETO-LBPRGKRZSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001589921468 1080861953 /nfs/dbraw/zinc/86/19/53/1080861953.db2.gz KGJQSUGHINKETO-LBPRGKRZSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001590011466 1080939668 /nfs/dbraw/zinc/93/96/68/1080939668.db2.gz MATHNBGPFZTRQL-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001590011466 1080939672 /nfs/dbraw/zinc/93/96/72/1080939672.db2.gz MATHNBGPFZTRQL-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC001590244336 1081117707 /nfs/dbraw/zinc/11/77/07/1081117707.db2.gz TWKXYUDWZLQBCJ-JQWIXIFHSA-N -1 3 369.385 2.693 20 5 FFBDHM C[C@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC001590244336 1081117712 /nfs/dbraw/zinc/11/77/12/1081117712.db2.gz TWKXYUDWZLQBCJ-JQWIXIFHSA-N -1 3 369.385 2.693 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000104760418 250185470 /nfs/dbraw/zinc/18/54/70/250185470.db2.gz SOALMFLWASCWJP-LLVKDONJSA-N -1 3 371.440 2.798 20 5 FFBDHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272413459 252033384 /nfs/dbraw/zinc/03/33/84/252033384.db2.gz GVZMDJINSDBWPL-UHFFFAOYSA-N -1 3 366.399 2.627 20 5 FFBDHM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272683597 252099376 /nfs/dbraw/zinc/09/93/76/252099376.db2.gz OIZBSVVKZOPNMY-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277916001 256255323 /nfs/dbraw/zinc/25/53/23/256255323.db2.gz PMFWMTQSWCMTLI-CQSZACIVSA-N -1 3 359.338 2.506 20 5 FFBDHM COc1cc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000278822264 256352183 /nfs/dbraw/zinc/35/21/83/256352183.db2.gz UDFWXWLLLVSFFU-OAHLLOKOSA-N -1 3 370.764 2.925 20 5 FFBDHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000331174303 258179266 /nfs/dbraw/zinc/17/92/66/258179266.db2.gz OZFXVFKHSSCEJK-WCQYABFASA-N -1 3 374.484 2.946 20 5 FFBDHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)C[C@@H](C)O1 ZINC000042010665 506582590 /nfs/dbraw/zinc/58/25/90/506582590.db2.gz LFBBADLYVRKLFX-NXEZZACHSA-N -1 3 366.399 2.506 20 5 FFBDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056073708 506925609 /nfs/dbraw/zinc/92/56/09/506925609.db2.gz JRPDNQRFKIKRIS-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM CCCc1nnc([N-]C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)s1 ZINC000018840703 507152037 /nfs/dbraw/zinc/15/20/37/507152037.db2.gz HTUGHXDVJNGCSH-UHFFFAOYSA-N -1 3 364.383 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c(F)c1 ZINC000057019613 507152375 /nfs/dbraw/zinc/15/23/75/507152375.db2.gz VWPKGXXWBSULAH-CQSZACIVSA-N -1 3 354.334 2.839 20 5 FFBDHM COc1ccc(N(C)C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000068221256 507154216 /nfs/dbraw/zinc/15/42/16/507154216.db2.gz IMNHVUHZSMHYFE-UHFFFAOYSA-N -1 3 356.338 2.765 20 5 FFBDHM COCc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000046814352 507200934 /nfs/dbraw/zinc/20/09/34/507200934.db2.gz BYYDUSCOXVLYNV-UHFFFAOYSA-N -1 3 370.814 2.873 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC2CCCC2)cc1C ZINC000057925514 507354335 /nfs/dbraw/zinc/35/43/35/507354335.db2.gz UKKTWBUFHOOSDK-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000068937901 507365020 /nfs/dbraw/zinc/36/50/20/507365020.db2.gz STNMCNFIKGEBBN-GFCCVEGCSA-N -1 3 352.343 2.536 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000127861647 508511791 /nfs/dbraw/zinc/51/17/91/508511791.db2.gz UJZVWJFMOKDXFN-DZGCQCFKSA-N -1 3 356.444 2.513 20 5 FFBDHM Cc1ccn(-c2ccccc2C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000134452437 508534969 /nfs/dbraw/zinc/53/49/69/508534969.db2.gz JIZFXQSNARYWFM-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)cc1C ZINC000134648214 508554987 /nfs/dbraw/zinc/55/49/87/508554987.db2.gz MUDXEUUBDULONU-AWEZNQCLSA-N -1 3 368.455 2.982 20 5 FFBDHM CC(C)(C(=O)Nc1ccc([O-])c(C(F)(F)F)c1)n1cc([N+](=O)[O-])cn1 ZINC000153666727 508620766 /nfs/dbraw/zinc/62/07/66/508620766.db2.gz SZXVHLPGLVEGAV-UHFFFAOYSA-N -1 3 358.276 2.890 20 5 FFBDHM COCc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123187912 508649037 /nfs/dbraw/zinc/64/90/37/508649037.db2.gz QQSVNWMRQNKOTC-UHFFFAOYSA-N -1 3 356.425 2.590 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000123545665 508703335 /nfs/dbraw/zinc/70/33/35/508703335.db2.gz FJGIQDSHPHJVFD-GFCCVEGCSA-N -1 3 356.425 2.631 20 5 FFBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000154302081 508755646 /nfs/dbraw/zinc/75/56/46/508755646.db2.gz CEIBVSVHUUXKEI-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM O=c1[n-]nc(SCc2c(Cl)cccc2[N+](=O)[O-])n1C[C@@H]1CCCO1 ZINC000154321141 508760422 /nfs/dbraw/zinc/76/04/22/508760422.db2.gz IAGUWADQTGUWRX-VIFPVBQESA-N -1 3 370.818 2.604 20 5 FFBDHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000154332097 508762867 /nfs/dbraw/zinc/76/28/67/508762867.db2.gz HZYFGYIWZRPHPS-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000119291674 508766149 /nfs/dbraw/zinc/76/61/49/508766149.db2.gz SAULEHCYZCLJGD-ZDUSSCGKSA-N -1 3 353.400 2.938 20 5 FFBDHM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000129956584 508783861 /nfs/dbraw/zinc/78/38/61/508783861.db2.gz QKLKLYAVTJNWAI-UHFFFAOYSA-N -1 3 366.377 2.518 20 5 FFBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124122759 508785746 /nfs/dbraw/zinc/78/57/46/508785746.db2.gz WQIKOYGPXXHAJF-NXEZZACHSA-N -1 3 350.487 2.917 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)s1 ZINC000159638262 508869579 /nfs/dbraw/zinc/86/95/79/508869579.db2.gz LFXAIGDBWZDNJM-JTQLQIEISA-N -1 3 370.452 2.883 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)c(F)c1 ZINC000131153293 508893696 /nfs/dbraw/zinc/89/36/96/508893696.db2.gz BPZRVIHGNXIBSF-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000125122315 508934044 /nfs/dbraw/zinc/93/40/44/508934044.db2.gz APOBKEHCZFWMRF-SMDDNHRTSA-N -1 3 362.473 2.694 20 5 FFBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000125277185 508959349 /nfs/dbraw/zinc/95/93/49/508959349.db2.gz LDBYMVZHZLENSX-GFCCVEGCSA-N -1 3 370.452 2.593 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cs1 ZINC000120449027 508999183 /nfs/dbraw/zinc/99/91/83/508999183.db2.gz XQOCOCFILWVHBO-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM O=C(Nc1cncc(Br)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000155954696 509099654 /nfs/dbraw/zinc/09/96/54/509099654.db2.gz VUSMMDUREDSLTD-UHFFFAOYSA-N -1 3 362.143 2.881 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)c(F)c1 ZINC000121385784 509171046 /nfs/dbraw/zinc/17/10/46/509171046.db2.gz LNWQSRPXMVVLCT-HNNXBMFYSA-N -1 3 368.386 2.526 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000248510638 509345557 /nfs/dbraw/zinc/34/55/57/509345557.db2.gz AIQMLZOKQPSUPE-MAZHCROVSA-N -1 3 361.398 2.559 20 5 FFBDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179461008 509456407 /nfs/dbraw/zinc/45/64/07/509456407.db2.gz UUETUTIIKKEIIK-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM CCc1ccc([C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000164037989 509457000 /nfs/dbraw/zinc/45/70/00/509457000.db2.gz XCWHLLPXXPISAJ-QGZVFWFLSA-N -1 3 357.410 2.896 20 5 FFBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179638780 509548686 /nfs/dbraw/zinc/54/86/86/509548686.db2.gz NLTOQRDXEVBBMW-VIFPVBQESA-N -1 3 363.757 2.711 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000186169272 509557526 /nfs/dbraw/zinc/55/75/26/509557526.db2.gz BCMQGRFMULVITL-JTQLQIEISA-N -1 3 354.359 2.782 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc2ccccc2n1C1CC1 ZINC000183640574 509899677 /nfs/dbraw/zinc/89/96/77/509899677.db2.gz HVUMZRPDIMSRJC-UHFFFAOYSA-N -1 3 372.406 2.758 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)c1[N+](=O)[O-] ZINC000190085914 509930040 /nfs/dbraw/zinc/93/00/40/509930040.db2.gz DNCSDZMWSPBJOH-HNNXBMFYSA-N -1 3 358.460 2.533 20 5 FFBDHM CCN(CC)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccsc1 ZINC000186928522 509956752 /nfs/dbraw/zinc/95/67/52/509956752.db2.gz RVPBUHRCQACTMF-CQSZACIVSA-N -1 3 364.427 2.570 20 5 FFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180874410 510156530 /nfs/dbraw/zinc/15/65/30/510156530.db2.gz IVEWRALRIBTCBG-UHFFFAOYSA-N -1 3 367.190 2.585 20 5 FFBDHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3cccc([N+](=O)[O-])c3)c[n-]c12 ZINC000178187568 510477510 /nfs/dbraw/zinc/47/75/10/510477510.db2.gz VDFWKKGXLVCRIE-UHFFFAOYSA-N -1 3 355.325 2.814 20 5 FFBDHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1[N+](=O)[O-] ZINC000181764092 510579497 /nfs/dbraw/zinc/57/94/97/510579497.db2.gz DOONRAMCIMUNPG-OAHLLOKOSA-N -1 3 369.377 2.852 20 5 FFBDHM O=C(/C=C/c1cncc([O-])c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182061751 510734989 /nfs/dbraw/zinc/73/49/89/510734989.db2.gz NMTFLRNIBBUGQW-LZCJLJQNSA-N -1 3 369.377 2.779 20 5 FFBDHM O=C([N-]C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000291633615 511276377 /nfs/dbraw/zinc/27/63/77/511276377.db2.gz SPYMBJBMXGZFFJ-LVDDQXARSA-N -1 3 371.359 2.999 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000326819957 511864098 /nfs/dbraw/zinc/86/40/98/511864098.db2.gz HVRMOXSLUXFGBN-UHFFFAOYSA-N -1 3 368.411 2.550 20 5 FFBDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000366387412 511993603 /nfs/dbraw/zinc/99/36/03/511993603.db2.gz BLXZMVMDBHOTLU-HNNXBMFYSA-N -1 3 355.394 2.647 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000375878939 512549851 /nfs/dbraw/zinc/54/98/51/512549851.db2.gz WNFPIZDGUPRGRZ-PBHICJAKSA-N -1 3 362.407 2.651 20 5 FFBDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000376157831 512687320 /nfs/dbraw/zinc/68/73/20/512687320.db2.gz MESKMJAKSXPPBA-ZDUSSCGKSA-N -1 3 370.409 2.651 20 5 FFBDHM O=C(Nc1nc(-c2cccc(O)c2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000368422335 512941709 /nfs/dbraw/zinc/94/17/09/512941709.db2.gz NILGKZIEMBEZEV-UHFFFAOYSA-N -1 3 358.335 2.777 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000398049521 512953038 /nfs/dbraw/zinc/95/30/38/512953038.db2.gz CRVUMRCUPZTSFS-RHSMWYFYSA-N -1 3 369.421 2.941 20 5 FFBDHM COc1ccc(CN[C@H](CSCC=C(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000417633929 513126996 /nfs/dbraw/zinc/12/69/96/513126996.db2.gz YGMYOQMEUWIYQR-CYBMUJFWSA-N -1 3 354.428 2.846 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000446329898 513238574 /nfs/dbraw/zinc/23/85/74/513238574.db2.gz HQVQSIKFTMQBFR-UHFFFAOYSA-N -1 3 363.683 2.624 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000446329898 513238578 /nfs/dbraw/zinc/23/85/78/513238578.db2.gz HQVQSIKFTMQBFR-UHFFFAOYSA-N -1 3 363.683 2.624 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000446329898 513238583 /nfs/dbraw/zinc/23/85/83/513238583.db2.gz HQVQSIKFTMQBFR-UHFFFAOYSA-N -1 3 363.683 2.624 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H](F)C1 ZINC000416480915 513793570 /nfs/dbraw/zinc/79/35/70/513793570.db2.gz BAQRUBYGYCFVDI-DTWKUNHWSA-N -1 3 356.297 2.783 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CC[C@H](F)C1 ZINC000416480916 513795204 /nfs/dbraw/zinc/79/52/04/513795204.db2.gz BAQRUBYGYCFVDI-IUCAKERBSA-N -1 3 356.297 2.783 20 5 FFBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416526484 513817993 /nfs/dbraw/zinc/81/79/93/513817993.db2.gz SKTVGSPJBNVBRI-UHFFFAOYSA-N -1 3 350.824 2.732 20 5 FFBDHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000451571208 513841378 /nfs/dbraw/zinc/84/13/78/513841378.db2.gz BFMZTISOZORNSS-UHFFFAOYSA-N -1 3 365.411 2.602 20 5 FFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CS1 ZINC000416578120 513845034 /nfs/dbraw/zinc/84/50/34/513845034.db2.gz BRYSBFMKUGUZEB-HTQZYQBOSA-N -1 3 370.374 2.786 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c1C ZINC000443267245 513914708 /nfs/dbraw/zinc/91/47/08/513914708.db2.gz JCSFYFJWMJWROC-UHFFFAOYSA-N -1 3 364.423 2.828 20 5 FFBDHM O=c1ccn(Cc2nc(-c3ccc([O-])c4ccccc34)no2)cc1[N+](=O)[O-] ZINC000436607471 513916565 /nfs/dbraw/zinc/91/65/65/513916565.db2.gz FMZNZXCTSWJLDN-UHFFFAOYSA-N -1 3 364.317 2.714 20 5 FFBDHM COc1cc(CCNC(=O)c2cccc(C)c2[O-])c([N+](=O)[O-])cc1OC ZINC000436755731 513968109 /nfs/dbraw/zinc/96/81/09/513968109.db2.gz MQGGYPGANCJGNO-UHFFFAOYSA-N -1 3 360.366 2.599 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c1[N+](=O)[O-] ZINC000451800957 513989463 /nfs/dbraw/zinc/98/94/63/513989463.db2.gz GFFRGWPYZFCNEW-CQSZACIVSA-N -1 3 368.455 2.839 20 5 FFBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000451822355 514004073 /nfs/dbraw/zinc/00/40/73/514004073.db2.gz HAMGOWIELDRLPW-INIZCTEOSA-N -1 3 368.386 2.574 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436876003 514018435 /nfs/dbraw/zinc/01/84/35/514018435.db2.gz ZWDLVRQTOBVESC-KDOFPFPSSA-N -1 3 369.421 2.941 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)c1 ZINC000443708434 514025944 /nfs/dbraw/zinc/02/59/44/514025944.db2.gz NSXGOCMXJZMRLL-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443939993 514077396 /nfs/dbraw/zinc/07/73/96/514077396.db2.gz DYANPOUSGSFZAA-PRHODGIISA-N -1 3 370.349 2.859 20 5 FFBDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000451931593 514080110 /nfs/dbraw/zinc/08/01/10/514080110.db2.gz LJGUMEUQNFNTNS-VIFPVBQESA-N -1 3 358.807 2.504 20 5 FFBDHM CCO[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000444999703 514385699 /nfs/dbraw/zinc/38/56/99/514385699.db2.gz QJPUXHQUSSADCG-INIZCTEOSA-N -1 3 364.423 2.959 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-] ZINC000417627678 514442617 /nfs/dbraw/zinc/44/26/17/514442617.db2.gz SVLSKXGJKIWEIM-CQSZACIVSA-N -1 3 352.387 2.568 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC000433444746 514494314 /nfs/dbraw/zinc/49/43/14/514494314.db2.gz VVDXWXMVEIMFAC-UONOGXRCSA-N -1 3 354.428 2.851 20 5 FFBDHM CCN=c1[n-]c(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000484298550 514622128 /nfs/dbraw/zinc/62/21/28/514622128.db2.gz UGKOYVHNIJTYJE-UHFFFAOYSA-N -1 3 354.819 2.531 20 5 FFBDHM Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458215815 514634882 /nfs/dbraw/zinc/63/48/82/514634882.db2.gz PQPGWYUUYGDDTQ-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM O=C(Nc1cccc(OCC(F)F)n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000497889709 514674262 /nfs/dbraw/zinc/67/42/62/514674262.db2.gz KRCHXDDKFXMJEA-UHFFFAOYSA-N -1 3 363.280 2.762 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000467084929 514892739 /nfs/dbraw/zinc/89/27/39/514892739.db2.gz LTKBTXAIBFXBLW-APHBMKBZSA-N -1 3 364.448 2.971 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)c1[N+](=O)[O-] ZINC000480746678 515068990 /nfs/dbraw/zinc/06/89/90/515068990.db2.gz GNWFBZXAGPVIFC-CYBMUJFWSA-N -1 3 372.443 2.610 20 5 FFBDHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000490168758 515127770 /nfs/dbraw/zinc/12/77/70/515127770.db2.gz ZILBRKSEXFOXKT-UHFFFAOYSA-N -1 3 369.830 2.663 20 5 FFBDHM COC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCC(C)CC1 ZINC000480994578 515165259 /nfs/dbraw/zinc/16/52/59/515165259.db2.gz XLPGLWLOJMMDBN-UHFFFAOYSA-N -1 3 362.473 2.838 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C)c1[N+](=O)[O-] ZINC000481063488 515192929 /nfs/dbraw/zinc/19/29/29/515192929.db2.gz XHGIJRXNAPLXCV-INIZCTEOSA-N -1 3 358.460 2.677 20 5 FFBDHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccccc1[N+](=O)[O-] ZINC000477280589 515395091 /nfs/dbraw/zinc/39/50/91/515395091.db2.gz STDRSIGZGIRJJK-UHFFFAOYSA-N -1 3 365.183 2.922 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000499702230 515418523 /nfs/dbraw/zinc/41/85/23/515418523.db2.gz CYHPHTKAPAYPFF-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000491610258 515461526 /nfs/dbraw/zinc/46/15/26/515461526.db2.gz OXSNFMLFAHZNEC-GBIKHYSHSA-N -1 3 360.407 2.846 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3CCN(Cc4ccccc4)C3)[n-]2)cc1 ZINC000486429119 515479271 /nfs/dbraw/zinc/47/92/71/515479271.db2.gz FAJAQCYDSCKDLP-INIZCTEOSA-N -1 3 365.393 2.753 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000510629978 515614798 /nfs/dbraw/zinc/61/47/98/515614798.db2.gz TTZWIROPVDWPGV-ZDUSSCGKSA-N -1 3 364.851 2.978 20 5 FFBDHM CC(C)Oc1ncccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000493304097 515619263 /nfs/dbraw/zinc/61/92/63/515619263.db2.gz MIILRXIAKUCMNS-UHFFFAOYSA-N -1 3 367.365 2.841 20 5 FFBDHM O=C(NCc1ncccc1[O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000473637518 515699522 /nfs/dbraw/zinc/69/95/22/515699522.db2.gz VPCWJYFLIAOPAM-UHFFFAOYSA-N -1 3 356.363 2.749 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000486973603 515703805 /nfs/dbraw/zinc/70/38/05/515703805.db2.gz UNXLZLWYIBEDGW-NSHDSACASA-N -1 3 360.819 2.628 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2c(F)cncc2F)c1[N+](=O)[O-] ZINC000511033784 515751337 /nfs/dbraw/zinc/75/13/37/515751337.db2.gz VVBLFBAVPNZHGT-SNVBAGLBSA-N -1 3 371.365 2.924 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2snnc2C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000464481439 515841465 /nfs/dbraw/zinc/84/14/65/515841465.db2.gz MNAQZDQFJQJGAO-UHFFFAOYSA-N -1 3 362.367 2.671 20 5 FFBDHM CC(C)c1csc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000454975501 515870453 /nfs/dbraw/zinc/87/04/53/515870453.db2.gz XPEIOWZVZMTCIX-UHFFFAOYSA-N -1 3 369.424 2.831 20 5 FFBDHM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000506757345 515974440 /nfs/dbraw/zinc/97/44/40/515974440.db2.gz FQTHWBCFGINZEW-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC000479124768 516066955 /nfs/dbraw/zinc/06/69/55/516066955.db2.gz CGYXZQOGMYHSJP-UHFFFAOYSA-N -1 3 362.367 2.589 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)C ZINC000512167308 516180506 /nfs/dbraw/zinc/18/05/06/516180506.db2.gz WOPRRCVMJXUTOJ-ZDUSSCGKSA-N -1 3 372.443 2.548 20 5 FFBDHM CC(C)CS(=O)(=O)[N-][C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000507564187 516246170 /nfs/dbraw/zinc/24/61/70/516246170.db2.gz XHJFOCPZDMJWQD-CQSZACIVSA-N -1 3 372.443 2.553 20 5 FFBDHM CCOC(=O)c1nnsc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000512360698 516251784 /nfs/dbraw/zinc/25/17/84/516251784.db2.gz CIKMANXWPQFZKW-UHFFFAOYSA-N -1 3 356.747 2.529 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCNc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000540206211 516474608 /nfs/dbraw/zinc/47/46/08/516474608.db2.gz ZUAIREZQRFUJNS-UHFFFAOYSA-N -1 3 353.400 2.585 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1ccccc1[N+](=O)[O-] ZINC000540325189 516511813 /nfs/dbraw/zinc/51/18/13/516511813.db2.gz YHFZEDVUOPTKEX-VIFPVBQESA-N -1 3 364.408 2.639 20 5 FFBDHM Cc1cc(NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)ccc1[N+](=O)[O-] ZINC000514222545 516910823 /nfs/dbraw/zinc/91/08/23/516910823.db2.gz PGYBPGYZOHSSTD-GOSISDBHSA-N -1 3 354.366 2.570 20 5 FFBDHM CCOC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCCC1 ZINC000555413578 516916038 /nfs/dbraw/zinc/91/60/38/516916038.db2.gz UGSMAWTXUTZDIR-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000525701977 517124869 /nfs/dbraw/zinc/12/48/69/517124869.db2.gz GCNMUSGENXPZMR-IAGOWNOFSA-N -1 3 362.407 2.612 20 5 FFBDHM CN(C)[C@H]1CCOc2c(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cccc21 ZINC000552215361 517145558 /nfs/dbraw/zinc/14/55/58/517145558.db2.gz UPUQYXDLXDEIKO-HNNXBMFYSA-N -1 3 357.366 2.938 20 5 FFBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCCCC1 ZINC000519889792 517232969 /nfs/dbraw/zinc/23/29/69/517232969.db2.gz MYEOAYFDKWDKFG-UHFFFAOYSA-N -1 3 373.450 2.667 20 5 FFBDHM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc2n[n-]nc2c1 ZINC000552394626 517238693 /nfs/dbraw/zinc/23/86/93/517238693.db2.gz YHXAJWPKYQQLAS-UHFFFAOYSA-N -1 3 362.143 2.881 20 5 FFBDHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C)cn1 ZINC000533009237 517249389 /nfs/dbraw/zinc/24/93/89/517249389.db2.gz WNJUBKVBRPZFEA-UHFFFAOYSA-N -1 3 355.803 2.791 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCSc1ccccn1 ZINC000520415548 517386660 /nfs/dbraw/zinc/38/66/60/517386660.db2.gz PYEPEQSFCZTFRB-UHFFFAOYSA-N -1 3 367.452 2.759 20 5 FFBDHM CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000515654456 517437164 /nfs/dbraw/zinc/43/71/64/517437164.db2.gz SIEKMXPSMWEEJR-GWCFXTLKSA-N -1 3 353.806 2.510 20 5 FFBDHM O=C(Nc1c([O-])cccc1Cl)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000520665553 517473743 /nfs/dbraw/zinc/47/37/43/517473743.db2.gz SMMPIAPGIOCYGE-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM COCc1nc(C)c(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC000533962469 517684270 /nfs/dbraw/zinc/68/42/70/517684270.db2.gz QDJKKKXOXLFKJO-UHFFFAOYSA-N -1 3 365.367 2.545 20 5 FFBDHM O=C([O-])[C@H](C1CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000563276913 517788599 /nfs/dbraw/zinc/78/85/99/517788599.db2.gz HSNOKMFSDSEUNQ-AWEZNQCLSA-N -1 3 373.331 2.599 20 5 FFBDHM CN(Cc1ccccc1)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000560638635 517947120 /nfs/dbraw/zinc/94/71/20/517947120.db2.gz WWOVTVQNSKRROS-LJQANCHMSA-N -1 3 369.421 2.941 20 5 FFBDHM O=C([O-])c1cc(N2CCN(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000557318574 517954936 /nfs/dbraw/zinc/95/49/36/517954936.db2.gz YYOAHKIWFCSRFZ-UHFFFAOYSA-N -1 3 355.394 2.658 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)cc1C ZINC000539383595 518020597 /nfs/dbraw/zinc/02/05/97/518020597.db2.gz DDDGAVXNDBPXQY-AWEZNQCLSA-N -1 3 370.471 2.679 20 5 FFBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000517352037 518125256 /nfs/dbraw/zinc/12/52/56/518125256.db2.gz BJPARUAFXJBVEM-HNNXBMFYSA-N -1 3 364.423 2.532 20 5 FFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nn1-c1ccccc1Cl ZINC000539720819 518149470 /nfs/dbraw/zinc/14/94/70/518149470.db2.gz CXZYLVZSAXFCFS-UHFFFAOYSA-N -1 3 373.756 2.517 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCSCC(F)(F)F)cc1C ZINC000539857429 518172254 /nfs/dbraw/zinc/17/22/54/518172254.db2.gz SFLFTLUBJGVQOK-UHFFFAOYSA-N -1 3 372.390 2.785 20 5 FFBDHM CCCCN(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000579055832 518497707 /nfs/dbraw/zinc/49/77/07/518497707.db2.gz ONJRBUBUAYKKEE-LLVKDONJSA-N -1 3 363.867 2.647 20 5 FFBDHM CCC[N@H+](CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000570321410 518549154 /nfs/dbraw/zinc/54/91/54/518549154.db2.gz JKYJYOGFFOFIRB-LLVKDONJSA-N -1 3 363.867 2.647 20 5 FFBDHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000570321410 518549166 /nfs/dbraw/zinc/54/91/66/518549166.db2.gz JKYJYOGFFOFIRB-LLVKDONJSA-N -1 3 363.867 2.647 20 5 FFBDHM CC1(C[N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCCC1 ZINC000570436296 518606107 /nfs/dbraw/zinc/60/61/07/518606107.db2.gz KIQOYSOWKFVAON-UHFFFAOYSA-N -1 3 370.427 2.615 20 5 FFBDHM O=C([O-])c1ccnc(N[C@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000565038700 518756898 /nfs/dbraw/zinc/75/68/98/518756898.db2.gz UPVUKYQVZLUVOQ-OAHLLOKOSA-N -1 3 356.382 2.937 20 5 FFBDHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000565905652 519189997 /nfs/dbraw/zinc/18/99/97/519189997.db2.gz YKQVUJKCFGSEJQ-GXTWGEPZSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(C3CCC(C)CC3)CC2)n1 ZINC000575185345 519544804 /nfs/dbraw/zinc/54/48/04/519544804.db2.gz WKVJHFZXZZDZTM-UHFFFAOYSA-N -1 3 362.430 2.697 20 5 FFBDHM CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000566621624 519582109 /nfs/dbraw/zinc/58/21/09/519582109.db2.gz IIZKCBITQMZSLN-UHFFFAOYSA-N -1 3 351.403 2.594 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594473614 519984841 /nfs/dbraw/zinc/98/48/41/519984841.db2.gz NLLRZUNZDJYFQM-OCCSQVGLSA-N -1 3 360.457 2.591 20 5 FFBDHM CCC1(O)CCC([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000616428847 520011822 /nfs/dbraw/zinc/01/18/22/520011822.db2.gz NFQSROFCSOWCKW-UHFFFAOYSA-N -1 3 356.444 2.574 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000597574393 520111253 /nfs/dbraw/zinc/11/12/53/520111253.db2.gz DDNKUPDJANGCTB-UHFFFAOYSA-N -1 3 362.411 2.696 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000592071668 520166282 /nfs/dbraw/zinc/16/62/82/520166282.db2.gz NZHZRQYQKJFKQV-UONOGXRCSA-N -1 3 362.407 2.746 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2ccc(C)cc21 ZINC000609320212 520276549 /nfs/dbraw/zinc/27/65/49/520276549.db2.gz SCRMOLUYOBBMIC-OAHLLOKOSA-N -1 3 362.407 2.878 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccc(F)cc1F ZINC000609564497 520359108 /nfs/dbraw/zinc/35/91/08/520359108.db2.gz BNOILNLPEKYKEH-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000609802047 520438841 /nfs/dbraw/zinc/43/88/41/520438841.db2.gz HKJSAVALVDTOPK-GFCCVEGCSA-N -1 3 366.420 2.729 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)c(F)c1 ZINC000609802342 520439444 /nfs/dbraw/zinc/43/94/44/520439444.db2.gz STMSLSKHONBBFR-LBPRGKRZSA-N -1 3 354.384 2.859 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccn(-c2ccccc2)n1 ZINC000604125536 520457968 /nfs/dbraw/zinc/45/79/68/520457968.db2.gz NCRWCLUFLZXIEX-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000613477053 520522011 /nfs/dbraw/zinc/52/20/11/520522011.db2.gz OGNSZJKCTOJSLS-GFCCVEGCSA-N -1 3 362.473 2.838 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000595525843 520528830 /nfs/dbraw/zinc/52/88/30/520528830.db2.gz IWJOAPYRCIIOEI-UHFFFAOYSA-N -1 3 373.413 2.561 20 5 FFBDHM CCc1ccc([C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000592967048 520663260 /nfs/dbraw/zinc/66/32/60/520663260.db2.gz DWILONIBGDEZMI-MRXNPFEDSA-N -1 3 358.398 2.965 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598625730 520750255 /nfs/dbraw/zinc/75/02/55/520750255.db2.gz SLMDSOWUTLLJCT-QMMMGPOBSA-N -1 3 374.287 2.937 20 5 FFBDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000593623896 521113970 /nfs/dbraw/zinc/11/39/70/521113970.db2.gz SAUDLJSITQHKCH-MWLCHTKSSA-N -1 3 350.487 2.917 20 5 FFBDHM CSc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000602241257 521230682 /nfs/dbraw/zinc/23/06/82/521230682.db2.gz IZEOQUMKXHHNON-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000602241257 521230690 /nfs/dbraw/zinc/23/06/90/521230690.db2.gz IZEOQUMKXHHNON-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(SC)cc1 ZINC000619478567 521588995 /nfs/dbraw/zinc/58/89/95/521588995.db2.gz YBVAMJFQFXAHAV-UHFFFAOYSA-N -1 3 368.436 2.804 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC000619507721 521601879 /nfs/dbraw/zinc/60/18/79/521601879.db2.gz GSQZYNOMUONYOR-UHFFFAOYSA-N -1 3 362.367 2.589 20 5 FFBDHM Cc1cc(C)cc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822196715 599062813 /nfs/dbraw/zinc/06/28/13/599062813.db2.gz ULXKPKLJSBFCSZ-GFCCVEGCSA-N -1 3 353.386 2.830 20 5 FFBDHM Cc1cc(C)cc(C[C@@H](C)Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822196715 599062816 /nfs/dbraw/zinc/06/28/16/599062816.db2.gz ULXKPKLJSBFCSZ-GFCCVEGCSA-N -1 3 353.386 2.830 20 5 FFBDHM CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000821362340 599101165 /nfs/dbraw/zinc/10/11/65/599101165.db2.gz ZWOUPPYNTBPWIM-HUUCEWRRSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000821362340 599101167 /nfs/dbraw/zinc/10/11/67/599101167.db2.gz ZWOUPPYNTBPWIM-HUUCEWRRSA-N -1 3 358.402 2.925 20 5 FFBDHM Cc1c(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cccc1[N+](=O)[O-] ZINC000822104511 599248139 /nfs/dbraw/zinc/24/81/39/599248139.db2.gz NTVCLTCXIGJNMT-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1c(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cccc1[N+](=O)[O-] ZINC000822104511 599248141 /nfs/dbraw/zinc/24/81/41/599248141.db2.gz NTVCLTCXIGJNMT-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1nn(Cc2cc(-c3nnn[n-]3)ccc2F)c2ccc([N+](=O)[O-])cc12 ZINC000822501170 607304817 /nfs/dbraw/zinc/30/48/17/607304817.db2.gz YTVZXUBYBITPMH-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM Cc1nn(Cc2cc(-c3nn[n-]n3)ccc2F)c2ccc([N+](=O)[O-])cc12 ZINC000822501170 607304818 /nfs/dbraw/zinc/30/48/18/607304818.db2.gz YTVZXUBYBITPMH-UHFFFAOYSA-N -1 3 353.317 2.620 20 5 FFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000736487972 599277432 /nfs/dbraw/zinc/27/74/32/599277432.db2.gz MCYGXYSYRNRLBU-UHFFFAOYSA-N -1 3 367.369 2.849 20 5 FFBDHM CCOc1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821426356 607331949 /nfs/dbraw/zinc/33/19/49/607331949.db2.gz CYVVNOPIYLBHGU-UHFFFAOYSA-N -1 3 354.370 2.828 20 5 FFBDHM CCOc1cccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821426356 607331950 /nfs/dbraw/zinc/33/19/50/607331950.db2.gz CYVVNOPIYLBHGU-UHFFFAOYSA-N -1 3 354.370 2.828 20 5 FFBDHM COc1cccc2c1OCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737143472 598248833 /nfs/dbraw/zinc/24/88/33/598248833.db2.gz RQISACWCPZXRQO-AWEZNQCLSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1cccc2c1OCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737143472 598248834 /nfs/dbraw/zinc/24/88/34/598248834.db2.gz RQISACWCPZXRQO-AWEZNQCLSA-N -1 3 368.353 2.719 20 5 FFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738192866 598574518 /nfs/dbraw/zinc/57/45/18/598574518.db2.gz YVLSZMJWKVMLIC-UHFFFAOYSA-N -1 3 350.294 2.773 20 5 FFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738192866 598574520 /nfs/dbraw/zinc/57/45/20/598574520.db2.gz YVLSZMJWKVMLIC-UHFFFAOYSA-N -1 3 350.294 2.773 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000738368272 598638157 /nfs/dbraw/zinc/63/81/57/598638157.db2.gz BHQYCOTULVTYEG-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000738368272 598638159 /nfs/dbraw/zinc/63/81/59/598638159.db2.gz BHQYCOTULVTYEG-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM COc1ccc2c(c1)CCCN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C2 ZINC000737118864 598673275 /nfs/dbraw/zinc/67/32/75/598673275.db2.gz IPDPQDYJXRVMGK-UHFFFAOYSA-N -1 3 366.381 2.736 20 5 FFBDHM COc1ccc2c(c1)CCCN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C2 ZINC000737118864 598673277 /nfs/dbraw/zinc/67/32/77/598673277.db2.gz IPDPQDYJXRVMGK-UHFFFAOYSA-N -1 3 366.381 2.736 20 5 FFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1ccccc1[N+](=O)[O-] ZINC000737946839 598714028 /nfs/dbraw/zinc/71/40/28/598714028.db2.gz GRRGSGIAUCPPGX-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1ccccc1[N+](=O)[O-] ZINC000737946839 598714030 /nfs/dbraw/zinc/71/40/30/598714030.db2.gz GRRGSGIAUCPPGX-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM COc1ccccc1C[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737151879 599323741 /nfs/dbraw/zinc/32/37/41/599323741.db2.gz GNHKVWHRFOLOBI-LBPRGKRZSA-N -1 3 368.397 2.851 20 5 FFBDHM COc1ccccc1C[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737151879 599323743 /nfs/dbraw/zinc/32/37/43/599323743.db2.gz GNHKVWHRFOLOBI-LBPRGKRZSA-N -1 3 368.397 2.851 20 5 FFBDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000826044285 601656061 /nfs/dbraw/zinc/65/60/61/601656061.db2.gz DMMFUSUXMPTDIS-FZKQIMNGSA-N -1 3 371.393 2.609 20 5 FFBDHM O=[N+]([O-])c1ccccc1CN(c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000826500285 607562681 /nfs/dbraw/zinc/56/26/81/607562681.db2.gz RYTSCOXWQMVMGN-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM O=[N+]([O-])c1ccccc1CN(c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000826500285 607562683 /nfs/dbraw/zinc/56/26/83/607562683.db2.gz RYTSCOXWQMVMGN-UHFFFAOYSA-N -1 3 371.788 2.992 20 5 FFBDHM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409158 604931834 /nfs/dbraw/zinc/93/18/34/604931834.db2.gz KKEYJUQPECHSHG-QWHCGFSZSA-N -1 3 363.414 2.745 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821427216 606158255 /nfs/dbraw/zinc/15/82/55/606158255.db2.gz OMZSEQXGHPVWBB-UHFFFAOYSA-N -1 3 368.397 2.806 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229264 606448813 /nfs/dbraw/zinc/44/88/13/606448813.db2.gz QGRXFMXHBDLTEH-LBPRGKRZSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229264 606448815 /nfs/dbraw/zinc/44/88/15/606448815.db2.gz QGRXFMXHBDLTEH-LBPRGKRZSA-N -1 3 366.381 2.503 20 5 FFBDHM C[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820513207 606867163 /nfs/dbraw/zinc/86/71/63/606867163.db2.gz XMSPBIODESEOAE-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820513207 606867165 /nfs/dbraw/zinc/86/71/65/606867165.db2.gz XMSPBIODESEOAE-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC000821362283 606880348 /nfs/dbraw/zinc/88/03/48/606880348.db2.gz ZHYXREDFBCBCPA-GJZGRUSLSA-N -1 3 358.402 2.559 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC000821362283 606880350 /nfs/dbraw/zinc/88/03/50/606880350.db2.gz ZHYXREDFBCBCPA-GJZGRUSLSA-N -1 3 358.402 2.559 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822928220 607074447 /nfs/dbraw/zinc/07/44/47/607074447.db2.gz DZBCYSSQGRULTO-BAQGIRSFSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822928220 607074448 /nfs/dbraw/zinc/07/44/48/607074448.db2.gz DZBCYSSQGRULTO-BAQGIRSFSA-N -1 3 369.312 2.671 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000824647999 607902592 /nfs/dbraw/zinc/90/25/92/607902592.db2.gz CRVRQUNPXMFMBN-AFNXNYLOSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000824647999 607902593 /nfs/dbraw/zinc/90/25/93/607902593.db2.gz CRVRQUNPXMFMBN-AFNXNYLOSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521816 608151246 /nfs/dbraw/zinc/15/12/46/608151246.db2.gz NDTXVBCOCYDCHV-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521816 608151247 /nfs/dbraw/zinc/15/12/47/608151247.db2.gz NDTXVBCOCYDCHV-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(OC(F)F)c(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826498851 608866409 /nfs/dbraw/zinc/86/64/09/608866409.db2.gz MDHODTMXVAJHRG-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM Cn1cc(C=Cc2ccc([N+](=O)[O-])cn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359669 609309906 /nfs/dbraw/zinc/30/99/06/609309906.db2.gz NMTCODZZPCMKNQ-VOTSOKGWSA-N -1 3 374.364 2.741 20 5 FFBDHM Cn1cc(C=Cc2ccc([N+](=O)[O-])cn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359669 609309907 /nfs/dbraw/zinc/30/99/07/609309907.db2.gz NMTCODZZPCMKNQ-VOTSOKGWSA-N -1 3 374.364 2.741 20 5 FFBDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000192712277 729456620 /nfs/dbraw/zinc/45/66/20/729456620.db2.gz YSFYCGQSISFIBZ-UHFFFAOYSA-N -1 3 351.384 2.603 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000813757857 741760272 /nfs/dbraw/zinc/76/02/72/741760272.db2.gz YUCKVVYEQVDZQT-UHFFFAOYSA-N -1 3 365.367 2.717 20 5 FFBDHM Cc1c(Cl)cnc(NCCc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826240293 743375340 /nfs/dbraw/zinc/37/53/40/743375340.db2.gz LSEJQEHZJVMJMT-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM Cc1c(Cl)cnc(NCCc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826240293 743375349 /nfs/dbraw/zinc/37/53/49/743375349.db2.gz LSEJQEHZJVMJMT-UHFFFAOYSA-N -1 3 359.777 2.786 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853296057 750045194 /nfs/dbraw/zinc/04/51/94/750045194.db2.gz ZNNKETXESSJNRK-NSHDSACASA-N -1 3 352.391 2.754 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCNc1ccccc1F ZINC000826497878 948411194 /nfs/dbraw/zinc/41/11/94/948411194.db2.gz XMMBKLIVTPFAAP-UHFFFAOYSA-N -1 3 357.349 2.828 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCNc1ccccc1F ZINC000826497878 948411199 /nfs/dbraw/zinc/41/11/99/948411199.db2.gz XMMBKLIVTPFAAP-UHFFFAOYSA-N -1 3 357.349 2.828 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000826498754 948412986 /nfs/dbraw/zinc/41/29/86/948412986.db2.gz IJQMHNHBXXSHRE-CQSZACIVSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000826498754 948412990 /nfs/dbraw/zinc/41/29/90/948412990.db2.gz IJQMHNHBXXSHRE-CQSZACIVSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000826497983 948413245 /nfs/dbraw/zinc/41/32/45/948413245.db2.gz BOKSPAMNOLSESB-UHFFFAOYSA-N -1 3 370.760 2.688 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000826497983 948413248 /nfs/dbraw/zinc/41/32/48/948413248.db2.gz BOKSPAMNOLSESB-UHFFFAOYSA-N -1 3 370.760 2.688 20 5 FFBDHM Cc1ccc(CC(=O)[N-]O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000178159210 964454654 /nfs/dbraw/zinc/45/46/54/964454654.db2.gz DMHGBZNIFYLEMN-CYBMUJFWSA-N -1 3 357.366 2.521 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC001211902857 979357029 /nfs/dbraw/zinc/35/70/29/979357029.db2.gz GZITUYCSRHBCAQ-RYUDHWBXSA-N -1 3 362.473 2.694 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1[O-])OCO2 ZINC000436525393 980155632 /nfs/dbraw/zinc/15/56/32/980155632.db2.gz AAOZYCHZQDTYMD-UHFFFAOYSA-N -1 3 358.350 2.782 20 5 FFBDHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000913298617 984227937 /nfs/dbraw/zinc/22/79/37/984227937.db2.gz OQXHWAAQYUTOKT-UHFFFAOYSA-N -1 3 374.284 2.513 20 5 FFBDHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000913298617 984227944 /nfs/dbraw/zinc/22/79/44/984227944.db2.gz OQXHWAAQYUTOKT-UHFFFAOYSA-N -1 3 374.284 2.513 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cn(Cc2cccc(F)c2)nn1 ZINC000152416291 987193719 /nfs/dbraw/zinc/19/37/19/987193719.db2.gz IKVXPAIBROJDAV-UHFFFAOYSA-N -1 3 359.292 2.765 20 5 FFBDHM COc1c(C)cccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001212326258 991688409 /nfs/dbraw/zinc/68/84/09/991688409.db2.gz CHXRSRLSQGTWQO-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM C[C@@](NCCC(=O)OCc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593262311 994553207 /nfs/dbraw/zinc/55/32/07/994553207.db2.gz RIMAAWZHRXZAQV-IBGZPJMESA-N -1 3 372.377 2.618 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001194682091 1004792676 /nfs/dbraw/zinc/79/26/76/1004792676.db2.gz QOSJIRSNOTXDMN-JTQLQIEISA-N -1 3 351.340 2.543 20 5 FFBDHM COc1ccc(C2=NO[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1C ZINC000853575087 1006455087 /nfs/dbraw/zinc/45/50/87/1006455087.db2.gz ZOTIVLGLFMGHSO-LBPRGKRZSA-N -1 3 358.354 2.618 20 5 FFBDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000853712207 1006512486 /nfs/dbraw/zinc/51/24/86/1006512486.db2.gz GTJWYNAZUMWLCM-NEPJUHHUSA-N -1 3 364.402 2.943 20 5 FFBDHM COc1cc(CNCc2cc([N+](=O)[O-])ccc2OC)c([N+](=O)[O-])cc1[O-] ZINC001178295639 1008942055 /nfs/dbraw/zinc/94/20/55/1008942055.db2.gz UELFGSNWEFYKTD-UHFFFAOYSA-N -1 3 363.326 2.516 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])nc21 ZINC000159310830 1022649577 /nfs/dbraw/zinc/64/95/77/1022649577.db2.gz LKOGLDQUARJIES-UHFFFAOYSA-N -1 3 372.312 2.958 20 5 FFBDHM CCN1CCN(c2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC000754884586 1023532711 /nfs/dbraw/zinc/53/27/11/1023532711.db2.gz WWEBZHWUPLHTHS-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM O=[N+]([O-])c1ccc[n-]c1=NNS(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000795329090 1025516069 /nfs/dbraw/zinc/51/60/69/1025516069.db2.gz ABHUMWJIKCXYBC-UHFFFAOYSA-N -1 3 370.390 2.962 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3ccnc3)cc2)no1 ZINC001212935841 1027435775 /nfs/dbraw/zinc/43/57/75/1027435775.db2.gz PUTJQOQIUHYJJS-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM CC(C)(C)OC(=O)NCC12CCC(CC1)N2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001163879298 1029101396 /nfs/dbraw/zinc/10/13/96/1029101396.db2.gz YGRKISQLQUYHCA-UHFFFAOYSA-N -1 3 364.402 2.722 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC001164130726 1029181330 /nfs/dbraw/zinc/18/13/30/1029181330.db2.gz BGKNXBCGUXVONZ-SNVBAGLBSA-N -1 3 365.340 2.758 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782141891 1029588384 /nfs/dbraw/zinc/58/83/84/1029588384.db2.gz CXFALNVJDOZONX-UHFFFAOYSA-N -1 3 371.305 2.716 20 5 FFBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000783436739 1030095347 /nfs/dbraw/zinc/09/53/47/1030095347.db2.gz JPRCWAVINQMQGK-UHFFFAOYSA-N -1 3 359.269 2.847 20 5 FFBDHM O=c1cc(-c2noc(-c3cc([N+](=O)[O-])ccc3N3CCCCC3)n2)nc[n-]1 ZINC000843026027 1031137942 /nfs/dbraw/zinc/13/79/42/1031137942.db2.gz HCLAUKCMPYTQLD-UHFFFAOYSA-N -1 3 368.353 2.798 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC001150415824 1031712390 /nfs/dbraw/zinc/71/23/90/1031712390.db2.gz AJKBHZMUTDLCGR-UHFFFAOYSA-N -1 3 366.761 2.719 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)c[n-]1 ZINC001150415824 1031712408 /nfs/dbraw/zinc/71/24/08/1031712408.db2.gz AJKBHZMUTDLCGR-UHFFFAOYSA-N -1 3 366.761 2.719 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@@H](F)CC1 ZINC001225660024 1034353626 /nfs/dbraw/zinc/35/36/26/1034353626.db2.gz BTOBNHFJOMLTTC-CMPLNLGQSA-N -1 3 371.365 2.812 20 5 FFBDHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC001227096862 1034933644 /nfs/dbraw/zinc/93/36/44/1034933644.db2.gz UGCBMYZTFHWOSN-AWEZNQCLSA-N -1 3 373.296 2.676 20 5 FFBDHM COC(=O)[C@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1 ZINC001227096863 1034933851 /nfs/dbraw/zinc/93/38/51/1034933851.db2.gz UGCBMYZTFHWOSN-CQSZACIVSA-N -1 3 373.296 2.676 20 5 FFBDHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744907 1035710148 /nfs/dbraw/zinc/71/01/48/1035710148.db2.gz KGLOIGNJPYHMOV-HNNXBMFYSA-N -1 3 369.381 2.813 20 5 FFBDHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744907 1035710162 /nfs/dbraw/zinc/71/01/62/1035710162.db2.gz KGLOIGNJPYHMOV-HNNXBMFYSA-N -1 3 369.381 2.813 20 5 FFBDHM Cc1nc(O[C@H]2CCN(Cc3ccccc3Cl)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378256 1036640518 /nfs/dbraw/zinc/64/05/18/1036640518.db2.gz JMNPNDOGSOSFKZ-LBPRGKRZSA-N -1 3 364.789 2.706 20 5 FFBDHM O=[N+]([O-])c1cc(F)ccc1[N-]c1nccnc1I ZINC001210952101 1039846530 /nfs/dbraw/zinc/84/65/30/1039846530.db2.gz VWVGKFBVHJZUHZ-UHFFFAOYSA-N -1 3 360.086 2.872 20 5 FFBDHM COc1ccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC001248001178 1040094932 /nfs/dbraw/zinc/09/49/32/1040094932.db2.gz ZZUYQHOQOCZBQY-UHFFFAOYSA-N -1 3 370.321 2.914 20 5 FFBDHM CC(C)(F)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)no1 ZINC001289940452 1047800272 /nfs/dbraw/zinc/80/02/72/1047800272.db2.gz ZZBFLKFQJTUEIA-UHFFFAOYSA-N -1 3 351.290 2.811 20 5 FFBDHM C[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC001301756379 1050974787 /nfs/dbraw/zinc/97/47/87/1050974787.db2.gz YFWDYMWGLOJCBL-JTQLQIEISA-N -1 3 374.372 2.917 20 5 FFBDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001309077327 1052550554 /nfs/dbraw/zinc/55/05/54/1052550554.db2.gz POOUBMNIBKNPIW-JTQLQIEISA-N -1 3 355.803 2.991 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])s1 ZINC001309217722 1052577054 /nfs/dbraw/zinc/57/70/54/1052577054.db2.gz OZWNHNIYOMBCCO-LBPRGKRZSA-N -1 3 362.473 2.574 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)c(F)cc1[N+](=O)[O-] ZINC001309347040 1052603266 /nfs/dbraw/zinc/60/32/66/1052603266.db2.gz HNAGDDNFUIVTPH-GFCCVEGCSA-N -1 3 374.434 2.509 20 5 FFBDHM C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001456381748 1060109079 /nfs/dbraw/zinc/10/90/79/1060109079.db2.gz HVHSEWRFRSIZQG-YFKPBYRVSA-N -1 3 363.683 2.876 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)C[C@@H](C)O3)c([N+](=O)[O-])s1 ZINC001475657301 1061184719 /nfs/dbraw/zinc/18/47/19/1061184719.db2.gz BXDBHVAHZHBKRH-SECBINFHSA-N -1 3 368.436 2.767 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCC3)CO2)c([N+](=O)[O-])s1 ZINC001475677717 1061200224 /nfs/dbraw/zinc/20/02/24/1061200224.db2.gz RSCVUJARJQRMOI-NSHDSACASA-N -1 3 360.457 2.592 20 5 FFBDHM COc1c([O-])ccc(CNc2ccc(F)c(NC(N)=O)c2)c1[N+](=O)[O-] ZINC001462286976 1061569501 /nfs/dbraw/zinc/56/95/01/1061569501.db2.gz VMRMGQGGCSMTCL-UHFFFAOYSA-N -1 3 350.306 2.551 20 5 FFBDHM CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccccc2C1 ZINC001464095908 1062423019 /nfs/dbraw/zinc/42/30/19/1062423019.db2.gz AWBATRNASXKEIE-MRXNPFEDSA-N -1 3 369.421 2.867 20 5 FFBDHM Cc1ccccc1C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464263709 1062513563 /nfs/dbraw/zinc/51/35/63/1062513563.db2.gz IUNFEGYHKBREBE-UHFFFAOYSA-N -1 3 368.798 2.718 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC001469322797 1064127664 /nfs/dbraw/zinc/12/76/64/1064127664.db2.gz GKTSYGUHRUXTLV-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1 ZINC001469322797 1064127670 /nfs/dbraw/zinc/12/76/70/1064127670.db2.gz GKTSYGUHRUXTLV-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001469700758 1064195760 /nfs/dbraw/zinc/19/57/60/1064195760.db2.gz VUJMAVJMQSPIKI-UHFFFAOYSA-N -1 3 350.762 2.717 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)c1 ZINC001472091161 1064926643 /nfs/dbraw/zinc/92/66/43/1064926643.db2.gz PZTHGEZQRVQLSY-UHFFFAOYSA-N -1 3 364.383 2.857 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)c1 ZINC001472091161 1064926655 /nfs/dbraw/zinc/92/66/55/1064926655.db2.gz PZTHGEZQRVQLSY-UHFFFAOYSA-N -1 3 364.383 2.857 20 5 FFBDHM C[C@]1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC001575792956 1078168807 /nfs/dbraw/zinc/16/88/07/1078168807.db2.gz OJWMKWVQNNOSOR-GDBMZVCRSA-N -1 3 362.365 2.531 20 5 FFBDHM C[C@]1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC001575792956 1078168810 /nfs/dbraw/zinc/16/88/10/1078168810.db2.gz OJWMKWVQNNOSOR-GDBMZVCRSA-N -1 3 362.365 2.531 20 5 FFBDHM CC[C@H](NC(=O)c1cscc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001578474073 1078478307 /nfs/dbraw/zinc/47/83/07/1078478307.db2.gz LVBPOHIEMAOXBT-ZDUSSCGKSA-N -1 3 358.383 2.718 20 5 FFBDHM CC[C@H](NC(=O)c1cscc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001578474073 1078478311 /nfs/dbraw/zinc/47/83/11/1078478311.db2.gz LVBPOHIEMAOXBT-ZDUSSCGKSA-N -1 3 358.383 2.718 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001578524982 1078488466 /nfs/dbraw/zinc/48/84/66/1078488466.db2.gz ZPOUAQWYLUACBY-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001578524982 1078488469 /nfs/dbraw/zinc/48/84/69/1078488469.db2.gz ZPOUAQWYLUACBY-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CSc1cc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])ccn1 ZINC001580230609 1078769337 /nfs/dbraw/zinc/76/93/37/1078769337.db2.gz IYFFKAKUORMSSN-UHFFFAOYSA-N -1 3 361.362 2.643 20 5 FFBDHM CSc1cc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])ccn1 ZINC001580230609 1078769342 /nfs/dbraw/zinc/76/93/42/1078769342.db2.gz IYFFKAKUORMSSN-UHFFFAOYSA-N -1 3 361.362 2.643 20 5 FFBDHM Cc1cc(N(C)Cc2nc3ccccc3[nH]2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001580949656 1078898737 /nfs/dbraw/zinc/89/87/37/1078898737.db2.gz JKPRDZKHKRZMJV-UHFFFAOYSA-N -1 3 364.369 2.596 20 5 FFBDHM Cc1cc(N(C)Cc2nc3ccccc3[nH]2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001580949656 1078898740 /nfs/dbraw/zinc/89/87/40/1078898740.db2.gz JKPRDZKHKRZMJV-UHFFFAOYSA-N -1 3 364.369 2.596 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001581213720 1078940059 /nfs/dbraw/zinc/94/00/59/1078940059.db2.gz HNRYELZLUMFOPI-UHFFFAOYSA-N -1 3 353.338 2.919 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001581213720 1078940063 /nfs/dbraw/zinc/94/00/63/1078940063.db2.gz HNRYELZLUMFOPI-UHFFFAOYSA-N -1 3 353.338 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3ccc(-c4nnn[n-]4)c(F)c3)cn2)cc1 ZINC001582803353 1079108276 /nfs/dbraw/zinc/10/82/76/1079108276.db2.gz DOYFUURMNCTUGE-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3ccc(-c4nn[n-]n4)c(F)c3)cn2)cc1 ZINC001582803353 1079108292 /nfs/dbraw/zinc/10/82/92/1079108292.db2.gz DOYFUURMNCTUGE-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccccc1-c1cnn(Cc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001582804346 1079110105 /nfs/dbraw/zinc/11/01/05/1079110105.db2.gz BQSGBHFZAVIRLH-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccccc1-c1cnn(Cc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001582804346 1079110109 /nfs/dbraw/zinc/11/01/09/1079110109.db2.gz BQSGBHFZAVIRLH-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM CCOC(=O)c1cc([N+](=O)[O-])c(NCc2nc(C(F)(F)F)n[n-]2)cc1C ZINC001559172564 1076131749 /nfs/dbraw/zinc/13/17/49/1076131749.db2.gz IKBFJQSLFAQADT-UHFFFAOYSA-N -1 3 373.291 2.829 20 5 FFBDHM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)s1 ZINC001561266528 1076354350 /nfs/dbraw/zinc/35/43/50/1076354350.db2.gz GOFXTCMHDKHUAU-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCc3cccnc32)c(Cl)c1 ZINC001561842470 1076432139 /nfs/dbraw/zinc/43/21/39/1076432139.db2.gz VLXXTMKLUWFKQD-NSHDSACASA-N -1 3 367.814 2.652 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccncc2)C2CC2)c(F)c1 ZINC001561998558 1076462938 /nfs/dbraw/zinc/46/29/38/1076462938.db2.gz JOFNKJBMMYROLQ-HNNXBMFYSA-N -1 3 351.359 2.559 20 5 FFBDHM CC(C)[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001589476688 1080552760 /nfs/dbraw/zinc/55/27/60/1080552760.db2.gz SXCVETAUPWPJEO-IAGOWNOFSA-N -1 3 368.397 2.945 20 5 FFBDHM CC(C)[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001589476688 1080552769 /nfs/dbraw/zinc/55/27/69/1080552769.db2.gz SXCVETAUPWPJEO-IAGOWNOFSA-N -1 3 368.397 2.945 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589803265 1080759902 /nfs/dbraw/zinc/75/99/02/1080759902.db2.gz MICLSAKPEXKFOK-QLJPJBMISA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589803265 1080759916 /nfs/dbraw/zinc/75/99/16/1080759916.db2.gz MICLSAKPEXKFOK-QLJPJBMISA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccccc1 ZINC001589875505 1080823642 /nfs/dbraw/zinc/82/36/42/1080823642.db2.gz GRGIQTQRNCHHCY-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccccc1 ZINC001589875505 1080823650 /nfs/dbraw/zinc/82/36/50/1080823650.db2.gz GRGIQTQRNCHHCY-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589977997 1080916464 /nfs/dbraw/zinc/91/64/64/1080916464.db2.gz DTOSIYRQGOUHIW-VIFPVBQESA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@H](Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589977997 1080916471 /nfs/dbraw/zinc/91/64/71/1080916471.db2.gz DTOSIYRQGOUHIW-VIFPVBQESA-N -1 3 355.314 2.856 20 5 FFBDHM C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(-c2nnn[n-]2)c1 ZINC001589991135 1080926495 /nfs/dbraw/zinc/92/64/95/1080926495.db2.gz WVVNAGPNLSAEKE-MRVPVSSYSA-N -1 3 368.382 2.953 20 5 FFBDHM C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1cccc(-c2nn[n-]n2)c1 ZINC001589991135 1080926499 /nfs/dbraw/zinc/92/64/99/1080926499.db2.gz WVVNAGPNLSAEKE-MRVPVSSYSA-N -1 3 368.382 2.953 20 5 FFBDHM C[C@@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(Cl)Cl ZINC001590126232 1081034238 /nfs/dbraw/zinc/03/42/38/1081034238.db2.gz AEWHMHMYEQPSMM-LLVKDONJSA-N -1 3 358.189 2.556 20 5 FFBDHM C[C@@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(Cl)Cl ZINC001590126232 1081034248 /nfs/dbraw/zinc/03/42/48/1081034248.db2.gz AEWHMHMYEQPSMM-LLVKDONJSA-N -1 3 358.189 2.556 20 5 FFBDHM C[C@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1(Cl)Cl ZINC001590126241 1081035194 /nfs/dbraw/zinc/03/51/94/1081035194.db2.gz AEWHMHMYEQPSMM-NSHDSACASA-N -1 3 358.189 2.556 20 5 FFBDHM C[C@]1(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1(Cl)Cl ZINC001590126241 1081035196 /nfs/dbraw/zinc/03/51/96/1081035196.db2.gz AEWHMHMYEQPSMM-NSHDSACASA-N -1 3 358.189 2.556 20 5 FFBDHM C[C@@H]1[C@@H](C)CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590261255 1081129122 /nfs/dbraw/zinc/12/91/22/1081129122.db2.gz LBAFCMDGGOLWIK-WDEREUQCSA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@@H]1[C@@H](C)CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590261255 1081129124 /nfs/dbraw/zinc/12/91/24/1081129124.db2.gz LBAFCMDGGOLWIK-WDEREUQCSA-N -1 3 353.386 2.948 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(CN3CCC[C@@H](C)C3)cs2)c1[N+](=O)[O-] ZINC000116206655 209345130 /nfs/dbraw/zinc/34/51/30/209345130.db2.gz BLQMIWPWPUMONK-SECBINFHSA-N -1 3 364.431 2.567 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2nccs2)c1C ZINC000290232968 257321503 /nfs/dbraw/zinc/32/15/03/257321503.db2.gz YEPRNQLENHPYIU-UHFFFAOYSA-N -1 3 355.441 2.579 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)cc1C ZINC000330626056 258166932 /nfs/dbraw/zinc/16/69/32/258166932.db2.gz IKQCLZGKELQXSN-HIFRSBDPSA-N -1 3 356.444 2.694 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(Br)c1 ZINC000331352822 258182925 /nfs/dbraw/zinc/18/29/25/258182925.db2.gz XLSXXFDRLUZKFS-VIFPVBQESA-N -1 3 361.217 2.744 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)N1CCC[C@H](C)C1 ZINC000064960294 506245765 /nfs/dbraw/zinc/24/57/65/506245765.db2.gz DGBVHYYVFXXYEE-ZDUSSCGKSA-N -1 3 369.487 2.692 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCCc1ccccc1 ZINC000032410402 506250530 /nfs/dbraw/zinc/25/05/30/506250530.db2.gz ZWPFIVTWUIJJER-UHFFFAOYSA-N -1 3 364.423 2.905 20 5 FFBDHM C[C@@H]1CN(Cc2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)C[C@H](C)O1 ZINC000042010661 506582294 /nfs/dbraw/zinc/58/22/94/506582294.db2.gz LFBBADLYVRKLFX-AOOOYVTPSA-N -1 3 366.399 2.506 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000007907907 506599911 /nfs/dbraw/zinc/59/99/11/506599911.db2.gz AYYFGLNIZXCNSG-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000055277051 506714982 /nfs/dbraw/zinc/71/49/82/506714982.db2.gz MKITZTPHUSNLHR-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000010683655 506750854 /nfs/dbraw/zinc/75/08/54/506750854.db2.gz WOVDUKKEOBMUDP-UHFFFAOYSA-N -1 3 365.392 2.790 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(OC(C)C)nc1 ZINC000056074038 506926491 /nfs/dbraw/zinc/92/64/91/506926491.db2.gz IHSKYAKFJLFBGF-UHFFFAOYSA-N -1 3 365.411 2.564 20 5 FFBDHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000056098834 506933606 /nfs/dbraw/zinc/93/36/06/506933606.db2.gz LVTHSBORXIFEKY-SNVBAGLBSA-N -1 3 354.359 2.782 20 5 FFBDHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc([N+](=O)[O-])cc3)nc2)n1 ZINC000068669782 507294886 /nfs/dbraw/zinc/29/48/86/507294886.db2.gz HPYAQWULJARQME-UHFFFAOYSA-N -1 3 365.393 2.957 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(C)c(F)c1 ZINC000024711607 507432306 /nfs/dbraw/zinc/43/23/06/507432306.db2.gz JYIBFOQIBMYKMM-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000063629403 507753837 /nfs/dbraw/zinc/75/38/37/507753837.db2.gz NLNZQZHEMKSRFZ-UHFFFAOYSA-N -1 3 371.440 2.709 20 5 FFBDHM CCN1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000092545921 508080775 /nfs/dbraw/zinc/08/07/75/508080775.db2.gz RYEYYEQAIBJGPK-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@@H]1C ZINC000111368224 508094352 /nfs/dbraw/zinc/09/43/52/508094352.db2.gz IKIKIRHYNVTXQD-APPDUMDISA-N -1 3 362.407 2.815 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000081187158 508146701 /nfs/dbraw/zinc/14/67/01/508146701.db2.gz PPJRZMMBDKDNEB-KBPBESRZSA-N -1 3 364.427 2.562 20 5 FFBDHM Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000098039029 508232737 /nfs/dbraw/zinc/23/27/37/508232737.db2.gz MAQXFDMOIBPVKY-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C ZINC000077400396 508311436 /nfs/dbraw/zinc/31/14/36/508311436.db2.gz OCQCGMXYLULZOK-LSDHHAIUSA-N -1 3 362.407 2.746 20 5 FFBDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152326254 508425160 /nfs/dbraw/zinc/42/51/60/508425160.db2.gz MWHOAPQYFJFZAE-JTQLQIEISA-N -1 3 354.409 2.596 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c1C ZINC000127704114 508488360 /nfs/dbraw/zinc/48/83/60/508488360.db2.gz NFMMKWZLAHWTQL-GOEBONIOSA-N -1 3 370.471 2.821 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000152759502 508510126 /nfs/dbraw/zinc/51/01/26/508510126.db2.gz PABIADOGISINSK-UHFFFAOYSA-N -1 3 362.835 2.652 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000134655513 508555923 /nfs/dbraw/zinc/55/59/23/508555923.db2.gz HVAJCLSQAROQCT-CYBMUJFWSA-N -1 3 354.428 2.673 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000123472409 508692513 /nfs/dbraw/zinc/69/25/13/508692513.db2.gz XIXCAADUWYXXQM-UHFFFAOYSA-N -1 3 351.409 2.925 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1cccc(F)c1F ZINC000119106715 508727532 /nfs/dbraw/zinc/72/75/32/508727532.db2.gz HYRRGVLLCLDRQM-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM C[C@@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000119188343 508744170 /nfs/dbraw/zinc/74/41/70/508744170.db2.gz ZYNNKEQWXAMUKV-CJNGLKHVSA-N -1 3 355.394 2.693 20 5 FFBDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000119327977 508773905 /nfs/dbraw/zinc/77/39/05/508773905.db2.gz NNSJPBMOLNQXJW-ZDUSSCGKSA-N -1 3 370.409 2.651 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CCO)CC(C)C)c1C ZINC000124108913 508784594 /nfs/dbraw/zinc/78/45/94/508784594.db2.gz IWCFDGWRKYFVNC-AWEZNQCLSA-N -1 3 358.460 2.535 20 5 FFBDHM COCc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000119603014 508826750 /nfs/dbraw/zinc/82/67/50/508826750.db2.gz BITAFLVWJCCJSN-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000131323064 508915648 /nfs/dbraw/zinc/91/56/48/508915648.db2.gz IQGDHTOMKAADGD-AWEZNQCLSA-N -1 3 367.452 2.930 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160170043 508949142 /nfs/dbraw/zinc/94/91/42/508949142.db2.gz XRSIQYWJYMGBEQ-VIFPVBQESA-N -1 3 356.787 2.993 20 5 FFBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000120464468 509002187 /nfs/dbraw/zinc/00/21/87/509002187.db2.gz XGXJOEYPORQIHF-UHFFFAOYSA-N -1 3 369.468 2.806 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1c(C)noc1C ZINC000125773503 509028084 /nfs/dbraw/zinc/02/80/84/509028084.db2.gz STWQWJQXHILPRX-SNVBAGLBSA-N -1 3 359.429 2.999 20 5 FFBDHM O=C([N-]c1nc2ccccn2n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132870358 509085373 /nfs/dbraw/zinc/08/53/73/509085373.db2.gz OWGMWXLUZDNQRB-UHFFFAOYSA-N -1 3 351.244 2.909 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000162833952 509309323 /nfs/dbraw/zinc/30/93/23/509309323.db2.gz XRPLXDCVHGGTAO-UHFFFAOYSA-N -1 3 356.313 2.555 20 5 FFBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179384162 509414538 /nfs/dbraw/zinc/41/45/38/509414538.db2.gz KQNOGGZOAWHVMR-UHFFFAOYSA-N -1 3 355.394 2.695 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000167320736 509630118 /nfs/dbraw/zinc/63/01/18/509630118.db2.gz UYPYIWQOWDWWOS-WQVCFCJDSA-N -1 3 366.439 2.529 20 5 FFBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173520775 509640345 /nfs/dbraw/zinc/64/03/45/509640345.db2.gz SCSFFYQAOYCYMV-SECBINFHSA-N -1 3 350.824 2.730 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000186337989 509654936 /nfs/dbraw/zinc/65/49/36/509654936.db2.gz ZUINHIGYCBJSLW-UHFFFAOYSA-N -1 3 362.407 2.657 20 5 FFBDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000179875922 509657878 /nfs/dbraw/zinc/65/78/78/509657878.db2.gz HDKHPENUMMTFCE-ZFWWWQNUSA-N -1 3 356.444 2.857 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000177012120 509817287 /nfs/dbraw/zinc/81/72/87/509817287.db2.gz UJTZRYLNCOJKNI-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174004347 509899785 /nfs/dbraw/zinc/89/97/85/509899785.db2.gz ZPEVBMGMBQLUPJ-JTQLQIEISA-N -1 3 356.350 2.955 20 5 FFBDHM CN1CCN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc21 ZINC000174456913 510122754 /nfs/dbraw/zinc/12/27/54/510122754.db2.gz PXAVDJDOZRTSHH-UHFFFAOYSA-N -1 3 355.329 2.707 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000171421331 510148143 /nfs/dbraw/zinc/14/81/43/510148143.db2.gz FGWDWYCJNKQNEM-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000184248216 510217002 /nfs/dbraw/zinc/21/70/02/510217002.db2.gz HJTSSWFQMUATDC-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM COc1cc(CNc2ccc(C(=O)NC3CC3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000195077081 510662273 /nfs/dbraw/zinc/66/22/73/510662273.db2.gz DKIKDNHHFGZMGY-UHFFFAOYSA-N -1 3 357.366 2.813 20 5 FFBDHM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c([O-])c1 ZINC000182005204 510702630 /nfs/dbraw/zinc/70/26/30/510702630.db2.gz PZMAXOVIFGAGGG-UHFFFAOYSA-N -1 3 357.366 2.698 20 5 FFBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C)ns1 ZINC000270698032 510955489 /nfs/dbraw/zinc/95/54/89/510955489.db2.gz DXLRVVGVQICHTC-UHFFFAOYSA-N -1 3 354.413 2.746 20 5 FFBDHM CC(C)c1nnc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)s1 ZINC000271296987 511154405 /nfs/dbraw/zinc/15/44/05/511154405.db2.gz HFZUMIAROBWQHW-UHFFFAOYSA-N -1 3 350.385 2.827 20 5 FFBDHM COc1cc(CNCc2ccccc2-c2cnn(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000362675731 511214403 /nfs/dbraw/zinc/21/44/03/511214403.db2.gz JFCICRACOXGHDD-UHFFFAOYSA-N -1 3 368.393 2.999 20 5 FFBDHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cn1 ZINC000295345093 511371136 /nfs/dbraw/zinc/37/11/36/511371136.db2.gz NTUBYFDIMQVPRM-JTQLQIEISA-N -1 3 372.834 2.813 20 5 FFBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000291896859 511381982 /nfs/dbraw/zinc/38/19/82/511381982.db2.gz IOEWYQBWTVVFFH-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000281213533 511761737 /nfs/dbraw/zinc/76/17/37/511761737.db2.gz JVKQBJGKRVJOHM-UHFFFAOYSA-N -1 3 359.348 2.794 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)CC1 ZINC000327799890 511882069 /nfs/dbraw/zinc/88/20/69/511882069.db2.gz UIEXKJIFJVXIFW-NWDGAFQWSA-N -1 3 370.427 2.629 20 5 FFBDHM O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275049808 512025932 /nfs/dbraw/zinc/02/59/32/512025932.db2.gz WWSCFGSEQOMGOV-UHFFFAOYSA-N -1 3 370.365 2.620 20 5 FFBDHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000293830924 512094097 /nfs/dbraw/zinc/09/40/97/512094097.db2.gz DVQYAPJOFGOWBN-MRVPVSSYSA-N -1 3 365.367 2.880 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000371960934 512655345 /nfs/dbraw/zinc/65/53/45/512655345.db2.gz POKXQHZWSDKJEY-CYBMUJFWSA-N -1 3 368.798 2.801 20 5 FFBDHM O=C([O-])c1cccc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000417638998 513130584 /nfs/dbraw/zinc/13/05/84/513130584.db2.gz QWAYERAHJKUEMR-UHFFFAOYSA-N -1 3 367.308 2.622 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2noc3c2C[C@H](C)CC3)cc([N+](=O)[O-])c1 ZINC000433983716 513207315 /nfs/dbraw/zinc/20/73/15/513207315.db2.gz CQGSHKYBLOHSQG-SECBINFHSA-N -1 3 359.338 2.747 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCN2C2CCCCC2)s1 ZINC000435637894 513646957 /nfs/dbraw/zinc/64/69/57/513646957.db2.gz QMAPHWGPBKJAAB-CYBMUJFWSA-N -1 3 373.500 2.732 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1c[nH]nc1-c1ccoc1 ZINC000448113856 513679695 /nfs/dbraw/zinc/67/96/95/513679695.db2.gz NOLPKOBOZRNXTQ-UHFFFAOYSA-N -1 3 364.321 2.642 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)c1ccco1 ZINC000416454212 513780623 /nfs/dbraw/zinc/78/06/23/513780623.db2.gz HXLUBLFSJSQANE-ZDUSSCGKSA-N -1 3 368.411 2.861 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C2CCC2)CCC1 ZINC000416500143 513804086 /nfs/dbraw/zinc/80/40/86/513804086.db2.gz BPAJXCLPNYLDBH-UHFFFAOYSA-N -1 3 354.428 2.852 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc2c(s1)CCC2 ZINC000416536100 513822544 /nfs/dbraw/zinc/82/25/44/513822544.db2.gz KZOGGNJLUPBEHY-SSDOTTSWSA-N -1 3 359.454 2.641 20 5 FFBDHM COc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)ccc1[N+](=O)[O-] ZINC000431618916 513944952 /nfs/dbraw/zinc/94/49/52/513944952.db2.gz RCKYIPFMYLYBPF-AWEZNQCLSA-N -1 3 372.349 2.888 20 5 FFBDHM CC1(C)Cc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c([O-])c2O1 ZINC000436778579 513975638 /nfs/dbraw/zinc/97/56/38/513975638.db2.gz RLRKGHBZBYXYCV-UHFFFAOYSA-N -1 3 371.393 2.856 20 5 FFBDHM CC[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000451796867 513986497 /nfs/dbraw/zinc/98/64/97/513986497.db2.gz NEJRUUZYARNUHT-LBPRGKRZSA-N -1 3 370.349 2.707 20 5 FFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccn(-c2ccccc2)n1 ZINC000426787791 514042528 /nfs/dbraw/zinc/04/25/28/514042528.db2.gz HUKCFLFDPDGDIE-SFHVURJKSA-N -1 3 366.377 2.566 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436968166 514054981 /nfs/dbraw/zinc/05/49/81/514054981.db2.gz SSFNVSSEJBAXPN-ZFWWWQNUSA-N -1 3 355.394 2.866 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000420711408 514254491 /nfs/dbraw/zinc/25/44/91/514254491.db2.gz YDWCAEOKFABIMJ-GFCCVEGCSA-N -1 3 356.469 2.715 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C ZINC000445725254 514510771 /nfs/dbraw/zinc/51/07/71/514510771.db2.gz PGCBVFNUBSQNTC-SNVBAGLBSA-N -1 3 370.349 2.859 20 5 FFBDHM CC(C)N(C)c1ccccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000445737130 514512309 /nfs/dbraw/zinc/51/23/09/514512309.db2.gz ZHMYUNKAAAIRBK-UHFFFAOYSA-N -1 3 363.439 2.918 20 5 FFBDHM Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(=O)[n-]1 ZINC000452895119 514539635 /nfs/dbraw/zinc/53/96/35/514539635.db2.gz YHVYMVUMWRMOHG-OAHLLOKOSA-N -1 3 370.409 2.656 20 5 FFBDHM Cc1cc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])ccc1OCCN(C)C ZINC000458212388 514633664 /nfs/dbraw/zinc/63/36/64/514633664.db2.gz NHZWWFFNBJKDIZ-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000480193962 514873904 /nfs/dbraw/zinc/87/39/04/514873904.db2.gz LPZJFCJCXOYJAX-UHFFFAOYSA-N -1 3 357.775 2.766 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(F)cc1 ZINC000467075828 514889950 /nfs/dbraw/zinc/88/99/50/514889950.db2.gz RDFNRTWMTKOJQP-GFCCVEGCSA-N -1 3 374.415 2.770 20 5 FFBDHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000462117953 514894253 /nfs/dbraw/zinc/89/42/53/514894253.db2.gz MYATXAVQAVTYOM-UHFFFAOYSA-N -1 3 350.371 2.898 20 5 FFBDHM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000467134114 514912264 /nfs/dbraw/zinc/91/22/64/514912264.db2.gz RKJRGIUCNSRXGX-OAHLLOKOSA-N -1 3 370.427 2.613 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCN2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000467423372 515002464 /nfs/dbraw/zinc/00/24/64/515002464.db2.gz MLVGPKFYWDICTK-PHIMTYICSA-N -1 3 361.489 2.506 20 5 FFBDHM COc1cc(Br)cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000499068550 515187273 /nfs/dbraw/zinc/18/72/73/515187273.db2.gz PPIWSPULLCNMNS-UHFFFAOYSA-N -1 3 368.143 2.719 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000462700826 515197762 /nfs/dbraw/zinc/19/77/62/515197762.db2.gz NPSPXXUIFIROFP-YNEHKIRRSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)Oc1ccccc1F ZINC000462710431 515205767 /nfs/dbraw/zinc/20/57/67/515205767.db2.gz WIGWJYNIJXOKDJ-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)c([N+](=O)[O-])c1 ZINC000462712747 515207283 /nfs/dbraw/zinc/20/72/83/515207283.db2.gz ZYLXHCIJPKFFDR-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000490624416 515264441 /nfs/dbraw/zinc/26/44/41/515264441.db2.gz AIXYGFIPZWGFDO-WDEREUQCSA-N -1 3 360.407 2.847 20 5 FFBDHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000509634222 515265085 /nfs/dbraw/zinc/26/50/85/515265085.db2.gz OCYRMVLULOVVJU-UHFFFAOYSA-N -1 3 369.830 2.863 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000491602612 515460168 /nfs/dbraw/zinc/46/01/68/515460168.db2.gz VZDDPONELJNOPS-SNVBAGLBSA-N -1 3 360.407 2.990 20 5 FFBDHM CC(C)(c1nnc([N-]C(=O)c2cc([N+](=O)[O-])n[nH]2)s1)c1ccccc1 ZINC000510350406 515512252 /nfs/dbraw/zinc/51/22/52/515512252.db2.gz IMMKFQYIOXXBNI-UHFFFAOYSA-N -1 3 358.383 2.748 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)cc1C ZINC000487081167 515748589 /nfs/dbraw/zinc/74/85/89/515748589.db2.gz WZMNGMNGAUUNFP-PBHICJAKSA-N -1 3 370.471 2.941 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)cc1C ZINC000487081168 515749794 /nfs/dbraw/zinc/74/97/94/515749794.db2.gz WZMNGMNGAUUNFP-RHSMWYFYSA-N -1 3 370.471 2.941 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)c1C ZINC000511037410 515753424 /nfs/dbraw/zinc/75/34/24/515753424.db2.gz YUKKWBQVKHDMLJ-JTQLQIEISA-N -1 3 371.365 2.924 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473855173 515777329 /nfs/dbraw/zinc/77/73/29/515777329.db2.gz HYCOAURUXFIPNQ-YGRLFVJLSA-N -1 3 362.411 2.711 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000511359573 515877321 /nfs/dbraw/zinc/87/73/21/515877321.db2.gz IRBATQXWVRZVLQ-UHFFFAOYSA-N -1 3 352.334 2.914 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479160305 516084426 /nfs/dbraw/zinc/08/44/26/516084426.db2.gz OTUAIQGYWKMWSG-GFCCVEGCSA-N -1 3 368.333 2.613 20 5 FFBDHM CCOc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1OC ZINC000512142058 516170018 /nfs/dbraw/zinc/17/00/18/516170018.db2.gz GMMYXEANRULJBD-UHFFFAOYSA-N -1 3 372.424 2.542 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000479405042 516183734 /nfs/dbraw/zinc/18/37/34/516183734.db2.gz HBHDHBZBQDBQGI-JSGCOSHPSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000507508980 516227104 /nfs/dbraw/zinc/22/71/04/516227104.db2.gz ZXKAUDJNVWFZMC-UHFFFAOYSA-N -1 3 350.396 2.569 20 5 FFBDHM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484182988 516311649 /nfs/dbraw/zinc/31/16/49/516311649.db2.gz VWUFSJQZUUCCSA-UHFFFAOYSA-N -1 3 358.335 2.777 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)c1C ZINC000513314536 516566266 /nfs/dbraw/zinc/56/62/66/516566266.db2.gz LJLRVYZRWSSGLP-UHFFFAOYSA-N -1 3 373.394 2.798 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000524290194 516686636 /nfs/dbraw/zinc/68/66/36/516686636.db2.gz PQRFUHDEQCFOBL-LBPRGKRZSA-N -1 3 352.416 2.720 20 5 FFBDHM CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000561698790 516721975 /nfs/dbraw/zinc/72/19/75/516721975.db2.gz GBHYKMJWFPZLJC-UHFFFAOYSA-N -1 3 357.366 2.924 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc2ccccc2n1 ZINC000524518824 516742068 /nfs/dbraw/zinc/74/20/68/516742068.db2.gz VKNDTIYGTCVBNP-UHFFFAOYSA-N -1 3 357.391 2.930 20 5 FFBDHM CC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1Cl ZINC000518709763 516747699 /nfs/dbraw/zinc/74/76/99/516747699.db2.gz GLACTKHBNWOTCN-UHFFFAOYSA-N -1 3 350.718 2.560 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)c1C ZINC000555413975 516916234 /nfs/dbraw/zinc/91/62/34/516916234.db2.gz UTVGEOOVMQNHPC-OAHLLOKOSA-N -1 3 370.471 2.679 20 5 FFBDHM CCN(CCN1CCCCCC1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514732839 517029214 /nfs/dbraw/zinc/02/92/14/517029214.db2.gz LUKDOGOKASRSHL-UHFFFAOYSA-N -1 3 350.419 2.699 20 5 FFBDHM O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552197571 517136509 /nfs/dbraw/zinc/13/65/09/517136509.db2.gz SKFQMOPCTZCIDT-NSHDSACASA-N -1 3 370.394 2.890 20 5 FFBDHM O=C(c1cccc2[n-]nnc21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000526115300 517352377 /nfs/dbraw/zinc/35/23/77/517352377.db2.gz FCDOBIBSBVFWDA-INIZCTEOSA-N -1 3 355.379 2.754 20 5 FFBDHM O=C(c1cccc2nn[n-]c21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000526115300 517352384 /nfs/dbraw/zinc/35/23/84/517352384.db2.gz FCDOBIBSBVFWDA-INIZCTEOSA-N -1 3 355.379 2.754 20 5 FFBDHM O=C(c1cccc2n[n-]nc21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000526115300 517352390 /nfs/dbraw/zinc/35/23/90/517352390.db2.gz FCDOBIBSBVFWDA-INIZCTEOSA-N -1 3 355.379 2.754 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)c1C ZINC000538281817 517538787 /nfs/dbraw/zinc/53/87/87/517538787.db2.gz FRLBGSIRSPCCGT-CYBMUJFWSA-N -1 3 370.471 2.679 20 5 FFBDHM COCC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000549865163 517754091 /nfs/dbraw/zinc/75/40/91/517754091.db2.gz CNNQLPAUIJISJD-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)OCCO3)s1 ZINC000543032641 517875886 /nfs/dbraw/zinc/87/58/86/517875886.db2.gz AQYKKDCHYCXBEP-UHFFFAOYSA-N -1 3 356.381 2.575 20 5 FFBDHM O=C([N-]c1nncn1C1CC1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000560752783 518006842 /nfs/dbraw/zinc/00/68/42/518006842.db2.gz GQSRZUIYHOMFFX-UHFFFAOYSA-N -1 3 371.275 2.715 20 5 FFBDHM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000534710406 518008550 /nfs/dbraw/zinc/00/85/50/518008550.db2.gz XCPZJWBLXOSVNC-SNVBAGLBSA-N -1 3 367.793 2.825 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000522587295 518131491 /nfs/dbraw/zinc/13/14/91/518131491.db2.gz DLXWESXOIQSZHP-UHFFFAOYSA-N -1 3 356.425 2.879 20 5 FFBDHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)[nH][n-]2)c1 ZINC000522634369 518137725 /nfs/dbraw/zinc/13/77/25/518137725.db2.gz WXFZBSBODZSERC-UHFFFAOYSA-N -1 3 369.356 2.997 20 5 FFBDHM CCc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)ccc1[O-] ZINC000578535933 518256766 /nfs/dbraw/zinc/25/67/66/518256766.db2.gz RHVLMUSEGZONRD-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM CC(=O)c1cc(NCCCNC(=O)c2cccc([O-])c2)ccc1[N+](=O)[O-] ZINC000570067317 518426733 /nfs/dbraw/zinc/42/67/33/518426733.db2.gz PQEKECQIUIAKEK-UHFFFAOYSA-N -1 3 357.366 2.735 20 5 FFBDHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000572969130 518444827 /nfs/dbraw/zinc/44/48/27/518444827.db2.gz LCKMPNZOURWXRO-SJCJKPOMSA-N -1 3 362.407 2.579 20 5 FFBDHM C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000584783356 518476258 /nfs/dbraw/zinc/47/62/58/518476258.db2.gz QSLNKKISIWUCIF-BETUJISGSA-N -1 3 351.403 2.594 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(CCC(C)(C)C)CC2)n1 ZINC000565038568 518756034 /nfs/dbraw/zinc/75/60/34/518756034.db2.gz HCMYREXJMDQCKW-UHFFFAOYSA-N -1 3 350.419 2.555 20 5 FFBDHM COCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000589301995 518976975 /nfs/dbraw/zinc/97/69/75/518976975.db2.gz BQMANTLDFJKXEU-UHFFFAOYSA-N -1 3 362.473 2.840 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000590590575 519278231 /nfs/dbraw/zinc/27/82/31/519278231.db2.gz ZJHSSFNKKDBQNV-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594475265 519985685 /nfs/dbraw/zinc/98/56/85/519985685.db2.gz UJJOGIRWCQXHHQ-HIFRSBDPSA-N -1 3 374.846 2.874 20 5 FFBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc([O-])cc1Cl ZINC000597858357 520287431 /nfs/dbraw/zinc/28/74/31/520287431.db2.gz SKMCIUBRNGYAJJ-NSHDSACASA-N -1 3 367.793 2.825 20 5 FFBDHM CCOC(=O)c1sc2[n-]c(Cc3ccccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000603824708 520368531 /nfs/dbraw/zinc/36/85/31/520368531.db2.gz TZJIERALFJROOJ-UHFFFAOYSA-N -1 3 373.390 2.969 20 5 FFBDHM O=C([O-])[C@]12CN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@H]1CCCC2 ZINC000595279408 520383401 /nfs/dbraw/zinc/38/34/01/520383401.db2.gz JVMILXYESAPUHN-FZKQIMNGSA-N -1 3 372.381 2.722 20 5 FFBDHM CCCOc1cncc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000600670011 520387493 /nfs/dbraw/zinc/38/74/93/520387493.db2.gz HTSQJESGOFHART-UHFFFAOYSA-N -1 3 351.384 2.721 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000604017958 520427471 /nfs/dbraw/zinc/42/74/71/520427471.db2.gz REHUCQDSLYGWOC-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM COC(=O)c1cc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)cc([N+](=O)[O-])c1 ZINC000609814257 520442284 /nfs/dbraw/zinc/44/22/84/520442284.db2.gz RVPWAYXQNSZXDS-UHFFFAOYSA-N -1 3 370.321 2.787 20 5 FFBDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610136415 520555180 /nfs/dbraw/zinc/55/51/80/520555180.db2.gz OOAVLTXHWHJBBT-VXGBXAGGSA-N -1 3 370.427 2.613 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](Cn1cccn1)c1ccccc1 ZINC000610161994 520564322 /nfs/dbraw/zinc/56/43/22/520564322.db2.gz YKKMMEJBVAHHBX-OAHLLOKOSA-N -1 3 372.406 2.511 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C12CCC2 ZINC000610267048 520612969 /nfs/dbraw/zinc/61/29/69/520612969.db2.gz TZHJRHCCCLEFCU-CABCVRRESA-N -1 3 354.428 2.529 20 5 FFBDHM COc1cccc([C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])N(C)C)c1 ZINC000592967124 520662703 /nfs/dbraw/zinc/66/27/03/520662703.db2.gz OTQGTBBXHVUAJT-GOSISDBHSA-N -1 3 373.409 2.945 20 5 FFBDHM CSc1ccncc1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000610544204 520733114 /nfs/dbraw/zinc/73/31/14/520733114.db2.gz WRUBZMJLJLVGEN-UHFFFAOYSA-N -1 3 370.394 2.853 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598623019 520748802 /nfs/dbraw/zinc/74/88/02/520748802.db2.gz SQOSUPDVFPYOPW-MRVPVSSYSA-N -1 3 354.762 2.880 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c([N+](=O)[O-])s1 ZINC000601444587 520788398 /nfs/dbraw/zinc/78/83/98/520788398.db2.gz UYFAJJOCVJQPFO-LBPRGKRZSA-N -1 3 354.409 2.515 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000610711787 520808221 /nfs/dbraw/zinc/80/82/21/520808221.db2.gz IGXFASDJMSIICB-LLVKDONJSA-N -1 3 354.771 2.660 20 5 FFBDHM CCc1cc(=O)[n-]c(CSCc2cc(C(=O)OC)ccc2[N+](=O)[O-])n1 ZINC000593190475 520814530 /nfs/dbraw/zinc/81/45/30/520814530.db2.gz KLOKYHNLWJFPBZ-UHFFFAOYSA-N -1 3 363.395 2.873 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1csc(C)c1C ZINC000601498205 520814974 /nfs/dbraw/zinc/81/49/74/520814974.db2.gz TWNDZOCKESJYER-UHFFFAOYSA-N -1 3 356.425 2.760 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)cc1[N+](=O)[O-] ZINC000618180357 520921157 /nfs/dbraw/zinc/92/11/57/520921157.db2.gz XNJLIWUAVSIBKL-LBPRGKRZSA-N -1 3 368.436 2.506 20 5 FFBDHM C[C@@H]1C[C@@H]1c1noc(CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596292479 521013176 /nfs/dbraw/zinc/01/31/76/521013176.db2.gz IWJCCXPJRHMAFL-PWSUYJOCSA-N -1 3 359.386 2.661 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](Cc3ccccc3)C2)nc1 ZINC000593588919 521093826 /nfs/dbraw/zinc/09/38/26/521093826.db2.gz OHJJUGQUFXAMOM-HUUCEWRRSA-N -1 3 361.423 2.680 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)nc1 ZINC000593592585 521095667 /nfs/dbraw/zinc/09/56/67/521095667.db2.gz WBTVDBVEVRDGJG-OCCSQVGLSA-N -1 3 365.386 2.744 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCCC(=O)OC(C)(C)C ZINC000611343192 521107664 /nfs/dbraw/zinc/10/76/64/521107664.db2.gz WLRZLJCIZSWQTJ-UHFFFAOYSA-N -1 3 372.443 2.694 20 5 FFBDHM CCC([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)(C1CC1)C1CC1 ZINC000599395519 521196468 /nfs/dbraw/zinc/19/64/68/521196468.db2.gz FPZOSBUKWBVXHB-UHFFFAOYSA-N -1 3 354.428 2.851 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1Cc2ccc(F)cc21 ZINC000619473429 521586612 /nfs/dbraw/zinc/58/66/12/521586612.db2.gz QKXJZKRPMQAZFN-HNNXBMFYSA-N -1 3 352.325 2.824 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000619477646 521588825 /nfs/dbraw/zinc/58/88/25/521588825.db2.gz SDMNWEBTPUVUBB-JQWIXIFHSA-N -1 3 366.395 2.798 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cs1 ZINC000619483098 521591630 /nfs/dbraw/zinc/59/16/30/521591630.db2.gz OFJUOCDGIORVCO-SECBINFHSA-N -1 3 371.440 2.662 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H]1C1CCCCC1 ZINC000619486858 521594006 /nfs/dbraw/zinc/59/40/06/521594006.db2.gz DDJANVHGYFIREX-STQMWFEESA-N -1 3 354.428 2.851 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000619492354 521595964 /nfs/dbraw/zinc/59/59/64/521595964.db2.gz LWSWWLRAKUZHNY-XOKHGSTOSA-N -1 3 374.418 2.610 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)CCn2cc([N+](=O)[O-])nc2C)[nH][n-]1 ZINC000604533278 553885208 /nfs/dbraw/zinc/88/52/08/553885208.db2.gz MFBZHRPCZQPWNM-UHFFFAOYSA-N -1 3 370.369 2.527 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1cc([N+](=O)[O-])ccc1C ZINC000737032071 598938407 /nfs/dbraw/zinc/93/84/07/598938407.db2.gz HGJGIFRUXKIIED-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1cc([N+](=O)[O-])ccc1C ZINC000737032071 598938408 /nfs/dbraw/zinc/93/84/08/598938408.db2.gz HGJGIFRUXKIIED-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)c1 ZINC000737369352 599185959 /nfs/dbraw/zinc/18/59/59/599185959.db2.gz RWFHOEDRHQKZPD-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)c1 ZINC000737369352 599185962 /nfs/dbraw/zinc/18/59/62/599185962.db2.gz RWFHOEDRHQKZPD-UHFFFAOYSA-N -1 3 369.385 2.892 20 5 FFBDHM Cc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822248318 599236722 /nfs/dbraw/zinc/23/67/22/599236722.db2.gz AQNVTQIJSRWJFH-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822248318 599236724 /nfs/dbraw/zinc/23/67/24/599236724.db2.gz AQNVTQIJSRWJFH-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccccc1C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737415801 598246920 /nfs/dbraw/zinc/24/69/20/598246920.db2.gz UYQAEWDHNOEZPN-UHFFFAOYSA-N -1 3 353.386 2.868 20 5 FFBDHM Cc1ccccc1C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737415801 598246921 /nfs/dbraw/zinc/24/69/21/598246921.db2.gz UYQAEWDHNOEZPN-UHFFFAOYSA-N -1 3 353.386 2.868 20 5 FFBDHM CC(C)N(C)c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735859033 598592246 /nfs/dbraw/zinc/59/22/46/598592246.db2.gz LNRDUNDWAOMMKW-UHFFFAOYSA-N -1 3 354.374 2.758 20 5 FFBDHM CC(C)N(C)c1cccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735859033 598592248 /nfs/dbraw/zinc/59/22/48/598592248.db2.gz LNRDUNDWAOMMKW-UHFFFAOYSA-N -1 3 354.374 2.758 20 5 FFBDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000736822035 598617149 /nfs/dbraw/zinc/61/71/49/598617149.db2.gz KTEHFBWPNSMZOW-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000736822035 598617151 /nfs/dbraw/zinc/61/71/51/598617151.db2.gz KTEHFBWPNSMZOW-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736116809 598628726 /nfs/dbraw/zinc/62/87/26/598628726.db2.gz NALZEHBVXFFTNL-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736116809 598628727 /nfs/dbraw/zinc/62/87/27/598628727.db2.gz NALZEHBVXFFTNL-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000737946306 598649468 /nfs/dbraw/zinc/64/94/68/598649468.db2.gz AFAHEEBENROTPF-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000737946306 598649470 /nfs/dbraw/zinc/64/94/70/598649470.db2.gz AFAHEEBENROTPF-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM CC[C@@H](C[C@H](C)CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820882362 599360447 /nfs/dbraw/zinc/36/04/47/599360447.db2.gz PQUYYFMENFTKLG-QWRGUYRKSA-N -1 3 371.401 2.532 20 5 FFBDHM CC[C@@H](C[C@H](C)CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820882362 599360448 /nfs/dbraw/zinc/36/04/48/599360448.db2.gz PQUYYFMENFTKLG-QWRGUYRKSA-N -1 3 371.401 2.532 20 5 FFBDHM COc1ccccc1[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737147113 599537187 /nfs/dbraw/zinc/53/71/87/599537187.db2.gz KESBRTVEXDYTHN-LBPRGKRZSA-N -1 3 366.381 2.777 20 5 FFBDHM COc1ccccc1[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737147113 599537190 /nfs/dbraw/zinc/53/71/90/599537190.db2.gz KESBRTVEXDYTHN-LBPRGKRZSA-N -1 3 366.381 2.777 20 5 FFBDHM CC(C)(C)C[C@@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907893 599561643 /nfs/dbraw/zinc/56/16/43/599561643.db2.gz SDJQQGULKCWSQB-LLVKDONJSA-N -1 3 371.401 2.532 20 5 FFBDHM CC(C)(C)C[C@@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907893 599561644 /nfs/dbraw/zinc/56/16/44/599561644.db2.gz SDJQQGULKCWSQB-LLVKDONJSA-N -1 3 371.401 2.532 20 5 FFBDHM CO[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC000821677562 599687399 /nfs/dbraw/zinc/68/73/99/599687399.db2.gz ZTRPMDFNBDPISX-CQSZACIVSA-N -1 3 371.401 2.796 20 5 FFBDHM CO[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)(C)C ZINC000821677562 599687400 /nfs/dbraw/zinc/68/74/00/599687400.db2.gz ZTRPMDFNBDPISX-CQSZACIVSA-N -1 3 371.401 2.796 20 5 FFBDHM Cc1c(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826236406 607390889 /nfs/dbraw/zinc/39/08/89/607390889.db2.gz KQRXZBMFQDCRDP-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1c(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826236406 607390890 /nfs/dbraw/zinc/39/08/90/607390890.db2.gz KQRXZBMFQDCRDP-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1c(CC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000826236182 607443238 /nfs/dbraw/zinc/44/32/38/607443238.db2.gz AVYODOHAFHSEIA-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1c(CC(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000826236182 607443240 /nfs/dbraw/zinc/44/32/40/607443240.db2.gz AVYODOHAFHSEIA-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM O=C([O-])N1CCC(N(Cn2ncc3cc([N+](=O)[O-])ccc32)C2CC2)CC1 ZINC000740508560 601913770 /nfs/dbraw/zinc/91/37/70/601913770.db2.gz TWOWMOVALJXRHO-UHFFFAOYSA-N -1 3 359.386 2.509 20 5 FFBDHM C[C@]1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCC[C@@H]1C(=O)[O-] ZINC000833568719 604812563 /nfs/dbraw/zinc/81/25/63/604812563.db2.gz IBDMJZVDKLDCLS-DYVFJYSZSA-N -1 3 360.370 2.768 20 5 FFBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824394580 607733039 /nfs/dbraw/zinc/73/30/39/607733039.db2.gz YCEHHFAYHRHHJX-TVQRCGJNSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@@H](C[C@@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824394580 607733040 /nfs/dbraw/zinc/73/30/40/607733040.db2.gz YCEHHFAYHRHHJX-TVQRCGJNSA-N -1 3 360.399 2.761 20 5 FFBDHM Cc1nn(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000833921577 605326456 /nfs/dbraw/zinc/32/64/56/605326456.db2.gz UVCOSKADJMAKOX-VBNZEHGJSA-N -1 3 373.413 2.579 20 5 FFBDHM CCN(Cc1ccoc1)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821230768 606123914 /nfs/dbraw/zinc/12/39/14/606123914.db2.gz QTSIDQRRJXWLFF-UHFFFAOYSA-N -1 3 365.353 2.943 20 5 FFBDHM CCN(Cc1ccoc1)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821230768 606123916 /nfs/dbraw/zinc/12/39/16/606123916.db2.gz QTSIDQRRJXWLFF-UHFFFAOYSA-N -1 3 365.353 2.943 20 5 FFBDHM CCCN(CCc1ccccn1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821099193 606240303 /nfs/dbraw/zinc/24/03/03/606240303.db2.gz BEIGFNIZVNBASR-UHFFFAOYSA-N -1 3 353.386 2.629 20 5 FFBDHM CCCN(CCc1ccccn1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821099193 606240305 /nfs/dbraw/zinc/24/03/05/606240305.db2.gz BEIGFNIZVNBASR-UHFFFAOYSA-N -1 3 353.386 2.629 20 5 FFBDHM CCN(C[C@@H](O)c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821170981 606241626 /nfs/dbraw/zinc/24/16/26/606241626.db2.gz YSMUATZBOYZFNG-QGZVFWFLSA-N -1 3 368.397 2.643 20 5 FFBDHM CCN(C[C@@H](O)c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821170981 606241627 /nfs/dbraw/zinc/24/16/27/606241627.db2.gz YSMUATZBOYZFNG-QGZVFWFLSA-N -1 3 368.397 2.643 20 5 FFBDHM C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820502708 606344452 /nfs/dbraw/zinc/34/44/52/606344452.db2.gz UKHSRHVAQSMNDA-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820502708 606344454 /nfs/dbraw/zinc/34/44/54/606344454.db2.gz UKHSRHVAQSMNDA-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM CNc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821637874 606397966 /nfs/dbraw/zinc/39/79/66/606397966.db2.gz XEYIHEYBGQEVBX-SNVBAGLBSA-N -1 3 368.353 2.735 20 5 FFBDHM CNc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821637874 606397967 /nfs/dbraw/zinc/39/79/67/606397967.db2.gz XEYIHEYBGQEVBX-SNVBAGLBSA-N -1 3 368.353 2.735 20 5 FFBDHM CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820921269 606588653 /nfs/dbraw/zinc/58/86/53/606588653.db2.gz XRTALNWUPLXFBS-HNNXBMFYSA-N -1 3 352.354 2.656 20 5 FFBDHM CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820921269 606588655 /nfs/dbraw/zinc/58/86/55/606588655.db2.gz XRTALNWUPLXFBS-HNNXBMFYSA-N -1 3 352.354 2.656 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820461278 606591827 /nfs/dbraw/zinc/59/18/27/606591827.db2.gz GQVOMMFTMHFWEO-AMJWSMQMSA-N -1 3 367.369 2.535 20 5 FFBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000820461278 606591829 /nfs/dbraw/zinc/59/18/29/606591829.db2.gz GQVOMMFTMHFWEO-AMJWSMQMSA-N -1 3 367.369 2.535 20 5 FFBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1sccc1-c1nnn[n-]1 ZINC000823356511 606623235 /nfs/dbraw/zinc/62/32/35/606623235.db2.gz NPZZIZKDPLSFST-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1sccc1-c1nn[n-]n1 ZINC000823356511 606623237 /nfs/dbraw/zinc/62/32/37/606623237.db2.gz NPZZIZKDPLSFST-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM CCN(Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821222631 606644850 /nfs/dbraw/zinc/64/48/50/606644850.db2.gz VQEXRLJKWLWQNL-UHFFFAOYSA-N -1 3 368.353 2.530 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821477111 607001779 /nfs/dbraw/zinc/00/17/79/607001779.db2.gz YSVMBLVEOOJUGK-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM CCc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821477111 607001780 /nfs/dbraw/zinc/00/17/80/607001780.db2.gz YSVMBLVEOOJUGK-UHFFFAOYSA-N -1 3 371.328 2.833 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc(F)c(-c4nnn[n-]4)c3)c2)cc1 ZINC000823634495 607008955 /nfs/dbraw/zinc/00/89/55/607008955.db2.gz IDDIDRDEVZJXJL-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3ccc(F)c(-c4nn[n-]n4)c3)c2)cc1 ZINC000823634495 607008957 /nfs/dbraw/zinc/00/89/57/607008957.db2.gz IDDIDRDEVZJXJL-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1cc(CSc2cccc(-c3nnn[n-]3)c2)c2c(c1)COCO2 ZINC000823634687 607012651 /nfs/dbraw/zinc/01/26/51/607012651.db2.gz JWWSHGJIGPNMSR-UHFFFAOYSA-N -1 3 371.378 2.934 20 5 FFBDHM O=[N+]([O-])c1cc(CSc2cccc(-c3nn[n-]n3)c2)c2c(c1)COCO2 ZINC000823634687 607012653 /nfs/dbraw/zinc/01/26/53/607012653.db2.gz JWWSHGJIGPNMSR-UHFFFAOYSA-N -1 3 371.378 2.934 20 5 FFBDHM C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820392714 607232513 /nfs/dbraw/zinc/23/25/13/607232513.db2.gz ZOZSKDFAVUDGMS-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@H](NC(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820392714 607232514 /nfs/dbraw/zinc/23/25/14/607232514.db2.gz ZOZSKDFAVUDGMS-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379120 607797463 /nfs/dbraw/zinc/79/74/63/607797463.db2.gz AVFICALDLBFBFA-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379120 607797464 /nfs/dbraw/zinc/79/74/64/607797464.db2.gz AVFICALDLBFBFA-UHFFFAOYSA-N -1 3 352.354 2.750 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000826242997 607874101 /nfs/dbraw/zinc/87/41/01/607874101.db2.gz PJEZZQBOSYHVCJ-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM CC(=O)c1ccc(N2CCc3ccc(-c4nnn[n-]4)cc32)c([N+](=O)[O-])c1 ZINC000824024745 607935378 /nfs/dbraw/zinc/93/53/78/607935378.db2.gz NTDBZGUHRBPZGT-UHFFFAOYSA-N -1 3 350.338 2.672 20 5 FFBDHM CC(=O)c1ccc(N2CCc3ccc(-c4nn[n-]n4)cc32)c([N+](=O)[O-])c1 ZINC000824024745 607935379 /nfs/dbraw/zinc/93/53/79/607935379.db2.gz NTDBZGUHRBPZGT-UHFFFAOYSA-N -1 3 350.338 2.672 20 5 FFBDHM O=[N+]([O-])c1cccc(CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC000826499602 607968607 /nfs/dbraw/zinc/96/86/07/607968607.db2.gz PBVTUPLLOXLSCG-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1cccc(CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC000826499602 607968608 /nfs/dbraw/zinc/96/86/08/607968608.db2.gz PBVTUPLLOXLSCG-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC000824046209 608162458 /nfs/dbraw/zinc/16/24/58/608162458.db2.gz RDVZNPFKAFWQOU-BYPYZUCNSA-N -1 3 364.671 2.565 20 5 FFBDHM C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C(F)(F)F ZINC000824046209 608162460 /nfs/dbraw/zinc/16/24/60/608162460.db2.gz RDVZNPFKAFWQOU-BYPYZUCNSA-N -1 3 364.671 2.565 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(Cc2cccnc2)CC1 ZINC000826497561 608194841 /nfs/dbraw/zinc/19/48/41/608194841.db2.gz LJUJSSPSSNBWGS-UHFFFAOYSA-N -1 3 365.397 2.629 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(Cc2cccnc2)CC1 ZINC000826497561 608194843 /nfs/dbraw/zinc/19/48/43/608194843.db2.gz LJUJSSPSSNBWGS-UHFFFAOYSA-N -1 3 365.397 2.629 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc3cc(-c4nnn[n-]4)ccc3n1)C2 ZINC000826500206 608235141 /nfs/dbraw/zinc/23/51/41/608235141.db2.gz OGKPYTBSQYXHPY-UHFFFAOYSA-N -1 3 373.376 2.886 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc3cc(-c4nn[n-]n4)ccc3n1)C2 ZINC000826500206 608235143 /nfs/dbraw/zinc/23/51/43/608235143.db2.gz OGKPYTBSQYXHPY-UHFFFAOYSA-N -1 3 373.376 2.886 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000826173343 608325727 /nfs/dbraw/zinc/32/57/27/608325727.db2.gz ZFCHRWGHTGHSEK-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000826173343 608325728 /nfs/dbraw/zinc/32/57/28/608325728.db2.gz ZFCHRWGHTGHSEK-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826145945 608414837 /nfs/dbraw/zinc/41/48/37/608414837.db2.gz NWIMZBYPRNHYAB-BMIGLBTASA-N -1 3 369.385 2.550 20 5 FFBDHM CO[C@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826145945 608414839 /nfs/dbraw/zinc/41/48/39/608414839.db2.gz NWIMZBYPRNHYAB-BMIGLBTASA-N -1 3 369.385 2.550 20 5 FFBDHM Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000826269173 608441842 /nfs/dbraw/zinc/44/18/42/608441842.db2.gz CJYWWFYFUXIVNH-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ncc1[N+](=O)[O-] ZINC000826269173 608441843 /nfs/dbraw/zinc/44/18/43/608441843.db2.gz CJYWWFYFUXIVNH-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826293161 608449935 /nfs/dbraw/zinc/44/99/35/608449935.db2.gz CZXHHHCKUWLWBD-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826293161 608449937 /nfs/dbraw/zinc/44/99/37/608449937.db2.gz CZXHHHCKUWLWBD-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826212201 608527808 /nfs/dbraw/zinc/52/78/08/608527808.db2.gz JTUATACIAWPXJK-UHFFFAOYSA-N -1 3 366.381 2.562 20 5 FFBDHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000091012458 728452615 /nfs/dbraw/zinc/45/26/15/728452615.db2.gz ONCZZGOFVXZFSO-UHFFFAOYSA-N -1 3 351.384 2.765 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccnc(Cl)c2F)cc([N+](=O)[O-])c1 ZINC000123684800 728661447 /nfs/dbraw/zinc/66/14/47/728661447.db2.gz BYJJBULMQNJFQS-UHFFFAOYSA-N -1 3 353.693 2.821 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)c(F)c1 ZINC000125688520 728686279 /nfs/dbraw/zinc/68/62/79/728686279.db2.gz PVZWDQUTFVJQBK-UHFFFAOYSA-N -1 3 368.390 2.524 20 5 FFBDHM O=C1NC(=O)C(=CNc2cc(Cl)c([N+](=O)[O-])cc2[O-])c2ccccc21 ZINC000128874930 728709805 /nfs/dbraw/zinc/70/98/05/728709805.db2.gz ZZERDWMMWINQDF-JXMROGBWSA-N -1 3 359.725 2.677 20 5 FFBDHM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000177539649 729138386 /nfs/dbraw/zinc/13/83/86/729138386.db2.gz WLFUSSBDOZFEEU-UHFFFAOYSA-N -1 3 363.233 2.968 20 5 FFBDHM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000178615688 729166225 /nfs/dbraw/zinc/16/62/25/729166225.db2.gz JRBNFTMRWNYEBS-SNVBAGLBSA-N -1 3 370.814 2.780 20 5 FFBDHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]OCCC(F)(F)F ZINC000867551026 731199133 /nfs/dbraw/zinc/19/91/33/731199133.db2.gz ZCBWKVJDISBHQV-UHFFFAOYSA-N -1 3 371.109 2.900 20 5 FFBDHM Cc1cc(COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000781471500 738629587 /nfs/dbraw/zinc/62/95/87/738629587.db2.gz WVLZQUIKCPQTFY-UHFFFAOYSA-N -1 3 364.379 2.632 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCN(c3c(C)cc([N+](=O)[O-])cc3Cl)CC2)n1 ZINC000884705028 733552146 /nfs/dbraw/zinc/55/21/46/733552146.db2.gz CLCPCOHTFHTVRH-UHFFFAOYSA-N -1 3 363.805 2.687 20 5 FFBDHM O=C([N-]C[C@@H]1CC[C@@H](C(F)(F)F)O1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000927567973 738751193 /nfs/dbraw/zinc/75/11/93/738751193.db2.gz DDNRCUMVCIKHNS-QWRGUYRKSA-N -1 3 368.258 2.913 20 5 FFBDHM COc1c([O-])ccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1[N+](=O)[O-] ZINC000895219064 734975325 /nfs/dbraw/zinc/97/53/25/734975325.db2.gz QGIQUHAXLBHCBT-PWSUYJOCSA-N -1 3 364.320 2.899 20 5 FFBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742267086 735216031 /nfs/dbraw/zinc/21/60/31/735216031.db2.gz WDDBTUKIECICEY-MRVPVSSYSA-N -1 3 351.222 2.824 20 5 FFBDHM O=C([N-]c1cc(C(F)(F)F)no1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000748354050 735637737 /nfs/dbraw/zinc/63/77/37/735637737.db2.gz AXYBVSRDXDBPDN-UHFFFAOYSA-N -1 3 359.216 2.625 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(C(C)=O)cc3s2)n1 ZINC000756759643 736359539 /nfs/dbraw/zinc/35/95/39/736359539.db2.gz IUVWLVBYFBHUML-UHFFFAOYSA-N -1 3 359.367 2.876 20 5 FFBDHM O=C1[N-]C(=O)C(=CNCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000756773550 736360633 /nfs/dbraw/zinc/36/06/33/736360633.db2.gz AMQHBXDCCDXAKA-ZROIWOOFSA-N -1 3 357.753 2.649 20 5 FFBDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1OC ZINC000763086135 736900626 /nfs/dbraw/zinc/90/06/26/736900626.db2.gz LDANQRJWJRWKMZ-UHFFFAOYSA-N -1 3 370.358 2.860 20 5 FFBDHM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770440501 737627446 /nfs/dbraw/zinc/62/74/46/737627446.db2.gz NZZBHTYWPIIRPB-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM CCOC(=O)[C@H](CC1CC1)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778023173 738344133 /nfs/dbraw/zinc/34/41/33/738344133.db2.gz GGAYPSAVVOEDFY-ZDUSSCGKSA-N -1 3 356.325 2.535 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000931313357 739243600 /nfs/dbraw/zinc/24/36/00/739243600.db2.gz HMLRPULCHHNZCP-UHFFFAOYSA-N -1 3 365.187 2.677 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC[C@]2(C)C[C@@]2(F)Cl)c([N+](=O)[O-])c1 ZINC000845982538 748372425 /nfs/dbraw/zinc/37/24/25/748372425.db2.gz RBUCHKYHJSBTQU-OLZOCXBDSA-N -1 3 366.798 2.586 20 5 FFBDHM Cc1nc(C)c(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)s1 ZINC000848583771 748966142 /nfs/dbraw/zinc/96/61/42/748966142.db2.gz GFJVBFXXUKJCQM-UHFFFAOYSA-N -1 3 357.338 2.956 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853251245 750038174 /nfs/dbraw/zinc/03/81/74/750038174.db2.gz QINDENCFUFMUSE-NSHDSACASA-N -1 3 352.391 2.754 20 5 FFBDHM CC(C)(C)OC(=O)NCC1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853711859 750141316 /nfs/dbraw/zinc/14/13/16/750141316.db2.gz IPLCWBNTSFZRFL-UHFFFAOYSA-N -1 3 352.391 2.802 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1[N+](=O)[O-] ZINC000821475929 945705286 /nfs/dbraw/zinc/70/52/86/945705286.db2.gz DINGKGPKFGFULE-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1[N+](=O)[O-] ZINC000821475929 945705290 /nfs/dbraw/zinc/70/52/90/945705290.db2.gz DINGKGPKFGFULE-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823241722 946356057 /nfs/dbraw/zinc/35/60/57/946356057.db2.gz DWUWGEAFNRGCGX-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823241722 946356068 /nfs/dbraw/zinc/35/60/68/946356068.db2.gz DWUWGEAFNRGCGX-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCCOc2ccccc2F)c(-c2nnn[n-]2)c1 ZINC000826499101 948412959 /nfs/dbraw/zinc/41/29/59/948412959.db2.gz VWFNQRIOWMNFKA-UHFFFAOYSA-N -1 3 358.333 2.795 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCCOc2ccccc2F)c(-c2nn[n-]n2)c1 ZINC000826499101 948412969 /nfs/dbraw/zinc/41/29/69/948412969.db2.gz VWFNQRIOWMNFKA-UHFFFAOYSA-N -1 3 358.333 2.795 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](COc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826498324 948413397 /nfs/dbraw/zinc/41/33/97/948413397.db2.gz PREJMCOMJOGXRG-ZDUSSCGKSA-N -1 3 366.381 2.680 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](COc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826498324 948413400 /nfs/dbraw/zinc/41/34/00/948413400.db2.gz PREJMCOMJOGXRG-ZDUSSCGKSA-N -1 3 366.381 2.680 20 5 FFBDHM COc1cc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC001594056906 958045294 /nfs/dbraw/zinc/04/52/94/958045294.db2.gz CQKLICKQVVCEOV-MWLCHTKSSA-N -1 3 374.340 2.685 20 5 FFBDHM COc1cc(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])cc1[O-] ZINC001594058373 958061446 /nfs/dbraw/zinc/06/14/46/958061446.db2.gz RIOWWKBVAFSFTB-ZMLRMANQSA-N -1 3 352.387 2.534 20 5 FFBDHM Cc1ccc(CN2CC[C@H](NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)C2)cc1 ZINC001174833727 1013311787 /nfs/dbraw/zinc/31/17/87/1013311787.db2.gz WBLOPWMXWGLARK-INIZCTEOSA-N -1 3 355.394 2.613 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)c([N+](=O)[O-])s1 ZINC001211794097 977906773 /nfs/dbraw/zinc/90/67/73/977906773.db2.gz KKZPPFZPUZCJPM-ZETCQYMHSA-N -1 3 363.367 2.677 20 5 FFBDHM Cc1nc(C)c(CCC(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(=O)[n-]1 ZINC001127962762 985404887 /nfs/dbraw/zinc/40/48/87/985404887.db2.gz LRPKVYSMWKYOIO-UHFFFAOYSA-N -1 3 367.365 2.827 20 5 FFBDHM O=C1[N-]C(=O)C(=CNCCCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000172486615 985569365 /nfs/dbraw/zinc/56/93/65/985569365.db2.gz QSAZZECUAVUEPG-QGOAFFKASA-N -1 3 365.389 2.818 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])c(CO[N-]C(=O)CCCc2ccccc2)c1 ZINC000844763365 998127592 /nfs/dbraw/zinc/12/75/92/998127592.db2.gz ITNIRVHUSOACSB-UHFFFAOYSA-N -1 3 372.377 2.952 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ncnc2ccsc21 ZINC001182600912 1001978256 /nfs/dbraw/zinc/97/82/56/1001978256.db2.gz UUNBBDHPFLQZKE-UHFFFAOYSA-N -1 3 367.350 2.637 20 5 FFBDHM O=C([N-]c1ccnc(Cl)c1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001129621682 1003726936 /nfs/dbraw/zinc/72/69/36/1003726936.db2.gz FTPWFULNCMKOMT-UHFFFAOYSA-N -1 3 353.693 2.806 20 5 FFBDHM CC(C)(C)OC(=O)N1CCCC2(CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001187478936 1006107882 /nfs/dbraw/zinc/10/78/82/1006107882.db2.gz JPKUNKHFSJNANS-UHFFFAOYSA-N -1 3 364.402 2.533 20 5 FFBDHM O=c1[n-]ccc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)c1[N+](=O)[O-] ZINC001187717922 1006213355 /nfs/dbraw/zinc/21/33/55/1006213355.db2.gz ZWDVVRIYUFAZHU-UHFFFAOYSA-N -1 3 357.292 2.821 20 5 FFBDHM C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nc(C(F)(F)F)n[n-]1 ZINC001179176681 1009280548 /nfs/dbraw/zinc/28/05/48/1009280548.db2.gz IBLWUIARYNTFJJ-ZCFIWIBFSA-N -1 3 368.275 2.704 20 5 FFBDHM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001116637873 1021323893 /nfs/dbraw/zinc/32/38/93/1021323893.db2.gz OXOYQUNTJCSIFK-UHFFFAOYSA-N -1 3 370.409 2.613 20 5 FFBDHM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nnc2ccccc2c1[O-] ZINC000778464500 1022011848 /nfs/dbraw/zinc/01/18/48/1022011848.db2.gz VDEKIBCLTBBYLL-UHFFFAOYSA-N -1 3 372.768 2.870 20 5 FFBDHM C[C@H]1CC[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C[NH2+]1 ZINC001218408453 1033141259 /nfs/dbraw/zinc/14/12/59/1033141259.db2.gz QUZDWHNZMIWERS-GXSJLCMTSA-N -1 3 357.362 2.582 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001212937038 1027444112 /nfs/dbraw/zinc/44/41/12/1027444112.db2.gz KLJJPZWQIVHXKB-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM CCOC(=O)c1[n-]cnc1NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155805899 1028921405 /nfs/dbraw/zinc/92/14/05/1028921405.db2.gz OKVVXCKFIQWNAS-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM CCOC(=O)c1nc[n-]c1NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155805899 1028921411 /nfs/dbraw/zinc/92/14/11/1028921411.db2.gz OKVVXCKFIQWNAS-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM O=C(N=c1ncnc2[nH][n-]cc1-2)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155989747 1029003806 /nfs/dbraw/zinc/00/38/06/1029003806.db2.gz CRPKEWWBFAGLDL-UHFFFAOYSA-N -1 3 373.401 2.689 20 5 FFBDHM O=C(N[C@H]1CCCN2CCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001164035880 1029151948 /nfs/dbraw/zinc/15/19/48/1029151948.db2.gz BYOQUCFZYLSNDM-STQMWFEESA-N -1 3 353.806 2.701 20 5 FFBDHM O=C(CNc1ccccc1[N+](=O)[O-])OCc1noc(-c2ccccc2[O-])n1 ZINC000783134314 1029915306 /nfs/dbraw/zinc/91/53/06/1029915306.db2.gz YWJXSFGGLYUYFZ-UHFFFAOYSA-N -1 3 370.321 2.506 20 5 FFBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000784124431 1030474627 /nfs/dbraw/zinc/47/46/27/1030474627.db2.gz YCZAASPGQAXIKG-UHFFFAOYSA-N -1 3 359.269 2.847 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225662119 1034354810 /nfs/dbraw/zinc/35/48/10/1034354810.db2.gz QTVBQGZDJPAMBG-LLVKDONJSA-N -1 3 353.375 2.864 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@H](F)C1 ZINC001225660849 1034355553 /nfs/dbraw/zinc/35/55/53/1034355553.db2.gz HJUWWURBNNJNEV-ZYHUDNBSSA-N -1 3 371.365 2.812 20 5 FFBDHM O=[N+]([O-])C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccc2c(c1)OCO2 ZINC001226118858 1034532357 /nfs/dbraw/zinc/53/23/57/1034532357.db2.gz JQARBUBYUADRLG-AWEZNQCLSA-N -1 3 361.379 2.768 20 5 FFBDHM O=[N+]([O-])c1ccc([O-])c(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001229396221 1036650111 /nfs/dbraw/zinc/65/01/11/1036650111.db2.gz RKOZGCRLPHJWFZ-QGZVFWFLSA-N -1 3 358.394 2.970 20 5 FFBDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229952317 1036996412 /nfs/dbraw/zinc/99/64/12/1036996412.db2.gz AOKXOZPMCMDPSP-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229952317 1036996425 /nfs/dbraw/zinc/99/64/25/1036996425.db2.gz AOKXOZPMCMDPSP-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)COc2cccc(F)c2)c([N+](=O)[O-])s1 ZINC001208481520 1038347561 /nfs/dbraw/zinc/34/75/61/1038347561.db2.gz UUOZFOYDMMDSQW-SECBINFHSA-N -1 3 374.415 2.850 20 5 FFBDHM COCOc1ccccc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001247999230 1040093037 /nfs/dbraw/zinc/09/30/37/1040093037.db2.gz IYVOAOJUUDTGOU-UHFFFAOYSA-N -1 3 370.321 2.880 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CCC1)[C@H]1CCOC1 ZINC001213450550 1040563682 /nfs/dbraw/zinc/56/36/82/1040563682.db2.gz CFVOBISEWMUBHA-NHYWBVRUSA-N -1 3 374.846 2.732 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2c(Cl)nn(C)c2Cl)cc([N+](=O)[O-])c1 ZINC001538672190 1070471984 /nfs/dbraw/zinc/47/19/84/1070471984.db2.gz VCQAIFULHJVZOJ-UHFFFAOYSA-N -1 3 373.152 2.674 20 5 FFBDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309675167 1043478315 /nfs/dbraw/zinc/47/83/15/1043478315.db2.gz OGSCXZMPTXHTOJ-LBPRGKRZSA-N -1 3 360.407 2.526 20 5 FFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC001309778295 1043521489 /nfs/dbraw/zinc/52/14/89/1043521489.db2.gz BJIXUURXROXPAZ-UHFFFAOYSA-N -1 3 360.313 2.799 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001310595506 1043710618 /nfs/dbraw/zinc/71/06/18/1043710618.db2.gz WROJDZGVNZTGLT-ZCFIWIBFSA-N -1 3 374.279 2.623 20 5 FFBDHM COc1cccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1[N+](=O)[O-] ZINC001299813591 1050613920 /nfs/dbraw/zinc/61/39/20/1050613920.db2.gz MATWBTJSGGXAIA-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM COc1cccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1[N+](=O)[O-] ZINC001299813591 1050613929 /nfs/dbraw/zinc/61/39/29/1050613929.db2.gz MATWBTJSGGXAIA-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309084928 1052551499 /nfs/dbraw/zinc/55/14/99/1052551499.db2.gz DZNXSCSZIXQEKT-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001309297861 1052594454 /nfs/dbraw/zinc/59/44/54/1052594454.db2.gz VVTULICBFJVRSD-SNVBAGLBSA-N -1 3 368.436 2.905 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)F)c(Br)c1 ZINC001350876572 1055979907 /nfs/dbraw/zinc/97/99/07/1055979907.db2.gz NULHJLABWHKPNH-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001454415332 1059533109 /nfs/dbraw/zinc/53/31/09/1059533109.db2.gz FVQHOWOVAJSEBR-UHFFFAOYSA-N -1 3 365.353 2.602 20 5 FFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001454415332 1059533131 /nfs/dbraw/zinc/53/31/31/1059533131.db2.gz FVQHOWOVAJSEBR-UHFFFAOYSA-N -1 3 365.353 2.602 20 5 FFBDHM COC(=O)c1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c([O-])c(OC)c1 ZINC001456748112 1060187078 /nfs/dbraw/zinc/18/70/78/1060187078.db2.gz QTXPNIWDGXFIIK-UHFFFAOYSA-N -1 3 374.349 2.585 20 5 FFBDHM O=c1[n-]c(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])nc2c1COCC2 ZINC001458544716 1060617501 /nfs/dbraw/zinc/61/75/01/1060617501.db2.gz FUMCCMBYNQSRFO-UHFFFAOYSA-N -1 3 370.287 2.794 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])s1 ZINC001475136758 1060961173 /nfs/dbraw/zinc/96/11/73/1060961173.db2.gz WMGPWZMJSPPXOS-NEPJUHHUSA-N -1 3 362.473 2.837 20 5 FFBDHM COc1cc(CNc2ccc(N3CCOC3=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC001461096912 1061210149 /nfs/dbraw/zinc/21/01/49/1061210149.db2.gz PVXSOMNSGWJVHK-UHFFFAOYSA-N -1 3 359.338 2.878 20 5 FFBDHM CC(C)C[C@@H](CN1CCCC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001463753988 1062243861 /nfs/dbraw/zinc/24/38/61/1062243861.db2.gz SEYVBWVHUJUPTR-ZDUSSCGKSA-N -1 3 373.450 2.523 20 5 FFBDHM C=C/C=C/CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001464406315 1062592549 /nfs/dbraw/zinc/59/25/49/1062592549.db2.gz YZCKICLDVMPFAP-ONEGZZNKSA-N -1 3 361.217 2.768 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1(C)CC1 ZINC001464729495 1062787060 /nfs/dbraw/zinc/78/70/60/1062787060.db2.gz HXCLTUVAKSHKFF-QMMMGPOBSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOCC23CCCC3)c([N+](=O)[O-])s1 ZINC001464837242 1062859122 /nfs/dbraw/zinc/85/91/22/1062859122.db2.gz LBOSXXXAKCPWGX-LBPRGKRZSA-N -1 3 360.457 2.592 20 5 FFBDHM CCOc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(C(=O)OC)c1F ZINC001440030037 1063252471 /nfs/dbraw/zinc/25/24/71/1063252471.db2.gz VBHAZGLXVCXJRC-UHFFFAOYSA-N -1 3 352.274 2.765 20 5 FFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1noc(-c2ccc(F)cc2)n1 ZINC001466635614 1063503705 /nfs/dbraw/zinc/50/37/05/1063503705.db2.gz LEIINTWLCPCLQK-UHFFFAOYSA-N -1 3 368.284 2.913 20 5 FFBDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001575486642 1078145190 /nfs/dbraw/zinc/14/51/90/1078145190.db2.gz SEKHMURTJBAMQZ-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001575486642 1078145193 /nfs/dbraw/zinc/14/51/93/1078145193.db2.gz SEKHMURTJBAMQZ-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM COCc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001579832924 1078694242 /nfs/dbraw/zinc/69/42/42/1078694242.db2.gz CPCHEOJOHMBQQY-UHFFFAOYSA-N -1 3 358.383 2.655 20 5 FFBDHM COCc1ccc(Sc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001579832924 1078694243 /nfs/dbraw/zinc/69/42/43/1078694243.db2.gz CPCHEOJOHMBQQY-UHFFFAOYSA-N -1 3 358.383 2.655 20 5 FFBDHM CON(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[C@H]1CCC[C@H](C)C1 ZINC001579847236 1078696988 /nfs/dbraw/zinc/69/69/88/1078696988.db2.gz DZHQKAWRCWASMK-STQMWFEESA-N -1 3 360.418 2.965 20 5 FFBDHM CON(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[C@H]1CCC[C@H](C)C1 ZINC001579847236 1078696992 /nfs/dbraw/zinc/69/69/92/1078696992.db2.gz DZHQKAWRCWASMK-STQMWFEESA-N -1 3 360.418 2.965 20 5 FFBDHM Cc1cc(NC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)cc([N+](=O)[O-])c1 ZINC001580985041 1078903541 /nfs/dbraw/zinc/90/35/41/1078903541.db2.gz KQVOCZKXMJHZRX-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM Cc1cc(NC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)cc([N+](=O)[O-])c1 ZINC001580985041 1078903543 /nfs/dbraw/zinc/90/35/43/1078903543.db2.gz KQVOCZKXMJHZRX-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM Cc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)ncc1-c1nnn[n-]1 ZINC001581026088 1078908305 /nfs/dbraw/zinc/90/83/05/1078908305.db2.gz BHFQRBCXLWNJSA-UHFFFAOYSA-N -1 3 353.386 2.913 20 5 FFBDHM Cc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)ncc1-c1nn[n-]n1 ZINC001581026088 1078908313 /nfs/dbraw/zinc/90/83/13/1078908313.db2.gz BHFQRBCXLWNJSA-UHFFFAOYSA-N -1 3 353.386 2.913 20 5 FFBDHM Cc1cc(Oc2ccc(C=O)cc2[N+](=O)[O-])c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581043766 1078910277 /nfs/dbraw/zinc/91/02/77/1078910277.db2.gz HRHBCIFSCYETJX-UHFFFAOYSA-N -1 3 370.281 2.596 20 5 FFBDHM Cc1cc(Oc2ccc(C=O)cc2[N+](=O)[O-])c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581043766 1078910288 /nfs/dbraw/zinc/91/02/88/1078910288.db2.gz HRHBCIFSCYETJX-UHFFFAOYSA-N -1 3 370.281 2.596 20 5 FFBDHM Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1-c1nnn[n-]1 ZINC001581196598 1078933728 /nfs/dbraw/zinc/93/37/28/1078933728.db2.gz CMIAHRRTNXSUPW-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cc1-c1nn[n-]n1 ZINC001581196598 1078933732 /nfs/dbraw/zinc/93/37/32/1078933732.db2.gz CMIAHRRTNXSUPW-UHFFFAOYSA-N -1 3 367.369 2.713 20 5 FFBDHM CC(=O)c1ccc(N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001559223668 1076136602 /nfs/dbraw/zinc/13/66/02/1076136602.db2.gz LTABVIVXBULWAT-MNOVXSKESA-N -1 3 372.381 2.973 20 5 FFBDHM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC001568296055 1077084244 /nfs/dbraw/zinc/08/42/44/1077084244.db2.gz MNMPNXZJERUPBO-UHFFFAOYSA-N -1 3 364.745 2.868 20 5 FFBDHM CC(C)CSCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001574233112 1077934006 /nfs/dbraw/zinc/93/40/06/1077934006.db2.gz QLDSNWYJSANQGJ-UHFFFAOYSA-N -1 3 351.436 2.548 20 5 FFBDHM CC(C)CSCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001574233112 1077934009 /nfs/dbraw/zinc/93/40/09/1077934009.db2.gz QLDSNWYJSANQGJ-UHFFFAOYSA-N -1 3 351.436 2.548 20 5 FFBDHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001586482682 1079636914 /nfs/dbraw/zinc/63/69/14/1079636914.db2.gz BPDAVPGODCBYIX-RDTXWAMCSA-N -1 3 369.421 2.941 20 5 FFBDHM CC(C)CCOC1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CC1 ZINC001589606804 1080631953 /nfs/dbraw/zinc/63/19/53/1080631953.db2.gz JSBBTPOCCGOBIB-UHFFFAOYSA-N -1 3 360.418 2.806 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589936074 1080880393 /nfs/dbraw/zinc/88/03/93/1080880393.db2.gz DGRFSLOPZHCSGH-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589936074 1080880403 /nfs/dbraw/zinc/88/04/03/1080880403.db2.gz DGRFSLOPZHCSGH-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(-c2nnn[n-]2)cc1 ZINC001589990680 1080924961 /nfs/dbraw/zinc/92/49/61/1080924961.db2.gz TYAIQDZDOQAZAE-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)c1ccc(-c2nn[n-]n2)cc1 ZINC001589990680 1080924965 /nfs/dbraw/zinc/92/49/65/1080924965.db2.gz TYAIQDZDOQAZAE-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@@H](O)C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589999619 1080928692 /nfs/dbraw/zinc/92/86/92/1080928692.db2.gz YJHQYMONPLYLLC-TZMCWYRMSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@@H](O)C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589999619 1080928697 /nfs/dbraw/zinc/92/86/97/1080928697.db2.gz YJHQYMONPLYLLC-TZMCWYRMSA-N -1 3 368.397 2.742 20 5 FFBDHM CC1(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)CCC2(CC1)OCCO2 ZINC001590134035 1081039725 /nfs/dbraw/zinc/03/97/25/1081039725.db2.gz LLGIBLNUGVMIAS-UHFFFAOYSA-N -1 3 374.401 2.510 20 5 FFBDHM C[C@H]1CC(CCNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590188462 1081078292 /nfs/dbraw/zinc/07/82/92/1081078292.db2.gz DZQBSQDBVKRFKW-UWVGGRQHSA-N -1 3 364.381 2.920 20 5 FFBDHM C[C@H]1CC(CCNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC001590188462 1081078299 /nfs/dbraw/zinc/07/82/99/1081078299.db2.gz DZQBSQDBVKRFKW-UWVGGRQHSA-N -1 3 364.381 2.920 20 5 FFBDHM Cc1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000102889623 250126404 /nfs/dbraw/zinc/12/64/04/250126404.db2.gz GUGOXQOKSOHJTG-UHFFFAOYSA-N -1 3 374.235 2.509 20 5 FFBDHM Cc1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000102889623 250126406 /nfs/dbraw/zinc/12/64/06/250126406.db2.gz GUGOXQOKSOHJTG-UHFFFAOYSA-N -1 3 374.235 2.509 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1 ZINC000272461068 252043723 /nfs/dbraw/zinc/04/37/23/252043723.db2.gz LMTYPQKSFFGWMV-LLVKDONJSA-N -1 3 374.846 2.937 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272485314 252049715 /nfs/dbraw/zinc/04/97/15/252049715.db2.gz ZMGCIFLVLNOPNC-GFCCVEGCSA-N -1 3 354.384 2.552 20 5 FFBDHM Nc1ccc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000286176642 257024182 /nfs/dbraw/zinc/02/41/82/257024182.db2.gz PUUXTSNXKHBWHW-UHFFFAOYSA-N -1 3 356.382 2.738 20 5 FFBDHM O=C(NC[C@H]1CCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000311797462 258115360 /nfs/dbraw/zinc/11/53/60/258115360.db2.gz MWKIZOWHVCMISY-OAHLLOKOSA-N -1 3 355.394 2.552 20 5 FFBDHM CCOc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000301890715 258073081 /nfs/dbraw/zinc/07/30/81/258073081.db2.gz UJJSQQNGEBBOLN-UHFFFAOYSA-N -1 3 371.393 2.662 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000330838838 258171674 /nfs/dbraw/zinc/17/16/74/258171674.db2.gz LRFQEDWLFMBBKB-PWSUYJOCSA-N -1 3 360.457 2.556 20 5 FFBDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032590798 506269103 /nfs/dbraw/zinc/26/91/03/506269103.db2.gz XYGJMHSWJPTRNQ-UHFFFAOYSA-N -1 3 367.358 2.802 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)Cc1ccccc1F ZINC000053671185 506427025 /nfs/dbraw/zinc/42/70/25/506427025.db2.gz FKWCEXVJBPWKNL-GFCCVEGCSA-N -1 3 352.387 2.952 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1F ZINC000053671290 506427425 /nfs/dbraw/zinc/42/74/25/506427425.db2.gz CFGIEOWYAGOTFO-NSHDSACASA-N -1 3 368.386 2.652 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCN(c2ccccc2)CC1 ZINC000053672453 506428573 /nfs/dbraw/zinc/42/85/73/506428573.db2.gz WCSSFCIZTYVZFQ-UHFFFAOYSA-N -1 3 361.423 2.542 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067433561 506879151 /nfs/dbraw/zinc/87/91/51/506879151.db2.gz NCEWBGMCWORRPR-KGLIPLIRSA-N -1 3 350.371 2.877 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000015001597 507011913 /nfs/dbraw/zinc/01/19/13/507011913.db2.gz ZVGZZGPQTCVDNT-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2F ZINC000057020536 507152109 /nfs/dbraw/zinc/15/21/09/507152109.db2.gz BWCDKWZDLBPAKM-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000068940354 507366867 /nfs/dbraw/zinc/36/68/67/507366867.db2.gz RWCVIFJKVXRAHH-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cccc(F)c2)cc1C ZINC000060497949 507553300 /nfs/dbraw/zinc/55/33/00/507553300.db2.gz JFLZENYMGYBUAY-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000060509822 507555044 /nfs/dbraw/zinc/55/50/44/507555044.db2.gz GYLIKZJYOAEBLE-JTQLQIEISA-N -1 3 356.425 2.574 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc(OC(F)F)c1 ZINC000051157295 507743755 /nfs/dbraw/zinc/74/37/55/507743755.db2.gz HOQZWPSBWOCZKG-UHFFFAOYSA-N -1 3 372.349 2.983 20 5 FFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000064244212 507787408 /nfs/dbraw/zinc/78/74/08/507787408.db2.gz ONMBYLCUVJWIEK-QMMMGPOBSA-N -1 3 360.388 2.844 20 5 FFBDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000030530300 507809927 /nfs/dbraw/zinc/80/99/27/507809927.db2.gz CYDYJSDFXRDLNY-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000079269679 507949553 /nfs/dbraw/zinc/94/95/53/507949553.db2.gz LPIQKULCBQETIR-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000111368420 508094936 /nfs/dbraw/zinc/09/49/36/508094936.db2.gz HGPMSDQCQWIPPG-GTNSWQLSSA-N -1 3 362.407 2.815 20 5 FFBDHM Cc1[nH]nc2cc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccc12 ZINC000093909413 508160156 /nfs/dbraw/zinc/16/01/56/508160156.db2.gz XHZTUDILYHJIBR-UHFFFAOYSA-N -1 3 360.395 2.764 20 5 FFBDHM Cc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000083981947 508261992 /nfs/dbraw/zinc/26/19/92/508261992.db2.gz BOSJFQLAEFIDMK-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000129026513 508672925 /nfs/dbraw/zinc/67/29/25/508672925.db2.gz RMBXFSIEYOJFOX-JTQLQIEISA-N -1 3 350.824 2.732 20 5 FFBDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000129026724 508673075 /nfs/dbraw/zinc/67/30/75/508673075.db2.gz RMBXFSIEYOJFOX-SNVBAGLBSA-N -1 3 350.824 2.732 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000158750566 508747887 /nfs/dbraw/zinc/74/78/87/508747887.db2.gz UMHDNPCEVDIZQG-MRVPVSSYSA-N -1 3 373.818 2.935 20 5 FFBDHM CCCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000123865129 508750731 /nfs/dbraw/zinc/75/07/31/508750731.db2.gz ZXUNHFYMZHDPTL-UHFFFAOYSA-N -1 3 371.440 2.627 20 5 FFBDHM Cc1c(C(=O)Nc2ccc([O-])cc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000124325288 508816039 /nfs/dbraw/zinc/81/60/39/508816039.db2.gz NHURGJHMTBCUEY-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FFBDHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000154993350 508899895 /nfs/dbraw/zinc/89/98/95/508899895.db2.gz CFKBBXATLVIJJO-CYBMUJFWSA-N -1 3 364.851 2.570 20 5 FFBDHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000131941432 508983449 /nfs/dbraw/zinc/98/34/49/508983449.db2.gz PFBGKKIWOHKQNV-AWEZNQCLSA-N -1 3 362.407 2.878 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125711371 509020213 /nfs/dbraw/zinc/02/02/13/509020213.db2.gz UTXPEGLTPNCZFR-SSDOTTSWSA-N -1 3 359.429 2.652 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1nccs1 ZINC000151457487 509020592 /nfs/dbraw/zinc/02/05/92/509020592.db2.gz JALPXHIXUQASOQ-AWEZNQCLSA-N -1 3 371.440 2.664 20 5 FFBDHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3ccc([N+](=O)[O-])cc3)c[n-]c12 ZINC000155714539 509058289 /nfs/dbraw/zinc/05/82/89/509058289.db2.gz AMRGUOFZPDNQIG-UHFFFAOYSA-N -1 3 355.325 2.814 20 5 FFBDHM Cn1ccnc1-c1csc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC000161262583 509094062 /nfs/dbraw/zinc/09/40/62/509094062.db2.gz HHNLENVYPCDLEU-UHFFFAOYSA-N -1 3 365.321 2.982 20 5 FFBDHM COc1ccccc1-c1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC000162574398 509254491 /nfs/dbraw/zinc/25/44/91/509254491.db2.gz PSWVWJSDFRYMRC-UHFFFAOYSA-N -1 3 367.365 2.878 20 5 FFBDHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185849612 509385061 /nfs/dbraw/zinc/38/50/61/509385061.db2.gz YPVVMUMYUMNWFO-SNVBAGLBSA-N -1 3 354.359 2.782 20 5 FFBDHM CC(=O)c1sc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000179366654 509404382 /nfs/dbraw/zinc/40/43/82/509404382.db2.gz JDIUATMZPPHEDG-UHFFFAOYSA-N -1 3 357.351 2.896 20 5 FFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000267590353 509555382 /nfs/dbraw/zinc/55/53/82/509555382.db2.gz ADHPSHPDBUWIPR-SNVBAGLBSA-N -1 3 371.440 2.546 20 5 FFBDHM COc1cc(CNCc2csc([C@H](C)OC)n2)c([N+](=O)[O-])cc1[O-] ZINC000267671415 509591177 /nfs/dbraw/zinc/59/11/77/509591177.db2.gz ZDXVNXCYAIAPKF-VIFPVBQESA-N -1 3 353.400 2.763 20 5 FFBDHM Cc1c([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cnn1C ZINC000176666381 509632604 /nfs/dbraw/zinc/63/26/04/509632604.db2.gz MFHQIUDONKNGSO-VIFPVBQESA-N -1 3 372.834 2.638 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000186585282 509785379 /nfs/dbraw/zinc/78/53/79/509785379.db2.gz VRRNGDGNBLTBFT-CXAGYDPISA-N -1 3 363.439 2.565 20 5 FFBDHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000171087596 509932698 /nfs/dbraw/zinc/93/26/98/509932698.db2.gz IZVFRFGIXOTKNC-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM COc1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000268945565 510152412 /nfs/dbraw/zinc/15/24/12/510152412.db2.gz HLGJCLUKSUTOCX-UHFFFAOYSA-N -1 3 362.289 2.812 20 5 FFBDHM COCCNc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000191253408 510571849 /nfs/dbraw/zinc/57/18/49/510571849.db2.gz OBJVUQNDMRXNAU-UHFFFAOYSA-N -1 3 355.354 2.782 20 5 FFBDHM Cn1c2ccccc2nc1C(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185126424 510699785 /nfs/dbraw/zinc/69/97/85/510699785.db2.gz HYJPGLVHRQAKRA-UHFFFAOYSA-N -1 3 374.422 2.695 20 5 FFBDHM C[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1nncn1C ZINC000271623097 511266598 /nfs/dbraw/zinc/26/65/98/511266598.db2.gz MMNARIIMXPKOOD-ZCFIWIBFSA-N -1 3 360.252 2.823 20 5 FFBDHM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000295441630 511406415 /nfs/dbraw/zinc/40/64/15/511406415.db2.gz WSVYWUQYTQHIKD-SECBINFHSA-N -1 3 358.807 2.504 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000292106407 511468116 /nfs/dbraw/zinc/46/81/16/511468116.db2.gz VACRLKOBKBXEFB-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280847551 511627173 /nfs/dbraw/zinc/62/71/73/511627173.db2.gz AAONBYFJEAIYBR-CZUORRHYSA-N -1 3 355.394 2.551 20 5 FFBDHM CCOc1cc(NC([O-])=NO[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC ZINC000274846454 511962102 /nfs/dbraw/zinc/96/21/02/511962102.db2.gz WXISIPGDSLLJGS-HNNXBMFYSA-N -1 3 369.374 2.972 20 5 FFBDHM CCOc1cc(NC(=O)[N-]O[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCC ZINC000274846454 511962110 /nfs/dbraw/zinc/96/21/10/511962110.db2.gz WXISIPGDSLLJGS-HNNXBMFYSA-N -1 3 369.374 2.972 20 5 FFBDHM CC(C)c1ccc(CN[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000417666226 513149417 /nfs/dbraw/zinc/14/94/17/513149417.db2.gz QSZGRROXLWWUSD-AWEZNQCLSA-N -1 3 366.414 2.993 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@@H](C)C2)cc1C ZINC000440077454 513240919 /nfs/dbraw/zinc/24/09/19/513240919.db2.gz LFWFUPGXMAVFSJ-DOMZBBRYSA-N -1 3 369.487 2.610 20 5 FFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccccc1[N+](=O)[O-] ZINC000430132701 513563864 /nfs/dbraw/zinc/56/38/64/513563864.db2.gz OOIBEDMQOPGJIJ-UHFFFAOYSA-N -1 3 361.155 2.679 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000442777245 513778524 /nfs/dbraw/zinc/77/85/24/513778524.db2.gz CZIQJFGMIFCXFQ-MNOVXSKESA-N -1 3 360.407 2.990 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000416504982 513805686 /nfs/dbraw/zinc/80/56/86/513805686.db2.gz ZORQIGUJHIENAQ-CYBMUJFWSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000416563620 513836415 /nfs/dbraw/zinc/83/64/15/513836415.db2.gz PWETWYNRJWRITD-UHFFFAOYSA-N -1 3 364.370 2.706 20 5 FFBDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CS1 ZINC000416578121 513845777 /nfs/dbraw/zinc/84/57/77/513845777.db2.gz BRYSBFMKUGUZEB-JGVFFNPUSA-N -1 3 370.374 2.786 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C1CC1 ZINC000416588413 513851463 /nfs/dbraw/zinc/85/14/63/513851463.db2.gz QXKHAVPORIENNN-OCCSQVGLSA-N -1 3 354.428 2.708 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c([N+](=O)[O-])c1 ZINC000451642068 513881836 /nfs/dbraw/zinc/88/18/36/513881836.db2.gz PIQNPTKNCZSBQG-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)cc1C ZINC000443210522 513902352 /nfs/dbraw/zinc/90/23/52/513902352.db2.gz IFYNSOUCOKQRQB-CQSZACIVSA-N -1 3 362.407 2.883 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(O)cc1[O-] ZINC000436707652 513949843 /nfs/dbraw/zinc/94/98/43/513949843.db2.gz YBDHUGOPYCDIGW-UHFFFAOYSA-N -1 3 356.256 2.955 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000443377812 513955388 /nfs/dbraw/zinc/95/53/88/513955388.db2.gz BPVFYDWBKXWDAP-LBPRGKRZSA-N -1 3 350.396 2.518 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(C)(C)C ZINC000451784905 513979191 /nfs/dbraw/zinc/97/91/91/513979191.db2.gz UVYWZVRPGXSJFA-CQSZACIVSA-N -1 3 372.443 2.875 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3sc(C)nc3cc2OC)n1 ZINC000427443561 514219005 /nfs/dbraw/zinc/21/90/05/514219005.db2.gz LZOBQPYVGSNICV-UHFFFAOYSA-N -1 3 361.383 2.990 20 5 FFBDHM CCOc1cc(Br)c(F)cc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000428000307 514370756 /nfs/dbraw/zinc/37/07/56/514370756.db2.gz JHPPHTFCQLXMML-UHFFFAOYSA-N -1 3 373.138 2.871 20 5 FFBDHM O=C(Nc1nnc(C=Cc2ccco2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445147622 514429384 /nfs/dbraw/zinc/42/93/84/514429384.db2.gz UMOSZJPYSCFGAI-ARJAWSKDSA-N -1 3 359.323 2.563 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2noc3ccccc32)cc1C ZINC000439184742 514505011 /nfs/dbraw/zinc/50/50/11/514505011.db2.gz BORKPRMBLCTEOZ-UHFFFAOYSA-N -1 3 361.379 2.831 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000445743770 514513219 /nfs/dbraw/zinc/51/32/19/514513219.db2.gz YJDKCSQHXWJOBK-INIZCTEOSA-N -1 3 356.444 2.513 20 5 FFBDHM COc1ccccc1-c1nc([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)n[nH]1 ZINC000475122080 514564300 /nfs/dbraw/zinc/56/43/00/514564300.db2.gz SZONOBOZEZVHJJ-UHFFFAOYSA-N -1 3 369.337 2.649 20 5 FFBDHM COc1cc(C(=O)N=c2cc(-c3ccccc3)[n-][nH]2)c([N+](=O)[O-])cc1OC ZINC000497872006 514666370 /nfs/dbraw/zinc/66/63/70/514666370.db2.gz NWMCUWZJNFLAIB-UHFFFAOYSA-N -1 3 368.349 2.676 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)cc1C ZINC000466532619 514678962 /nfs/dbraw/zinc/67/89/62/514678962.db2.gz UCJJLFKFNKRWAE-CYBMUJFWSA-N -1 3 366.370 2.763 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467083049 514892937 /nfs/dbraw/zinc/89/29/37/514892937.db2.gz DYRPUGHBCNGLNP-CHWSQXEVSA-N -1 3 352.437 2.874 20 5 FFBDHM CCOC(=O)c1cc(NCc2nnc(C(F)(F)F)[n-]2)ccc1[N+](=O)[O-] ZINC000480310569 514916583 /nfs/dbraw/zinc/91/65/83/514916583.db2.gz OUBSHLQVRAUXAT-UHFFFAOYSA-N -1 3 359.264 2.521 20 5 FFBDHM CCOC(=O)c1cc(NCc2n[n-]c(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000480310569 514916590 /nfs/dbraw/zinc/91/65/90/514916590.db2.gz OUBSHLQVRAUXAT-UHFFFAOYSA-N -1 3 359.264 2.521 20 5 FFBDHM CCOC(=O)c1cc(NCc2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC000480310569 514916600 /nfs/dbraw/zinc/91/66/00/514916600.db2.gz OUBSHLQVRAUXAT-UHFFFAOYSA-N -1 3 359.264 2.521 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000467395833 514994265 /nfs/dbraw/zinc/99/42/65/514994265.db2.gz VJWJYTHWZSEMEQ-QMMMGPOBSA-N -1 3 370.408 2.733 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467422475 515002578 /nfs/dbraw/zinc/00/25/78/515002578.db2.gz CGYBMBJVELKCMW-UHFFFAOYSA-N -1 3 374.415 2.851 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CN2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000480699835 515048563 /nfs/dbraw/zinc/04/85/63/515048563.db2.gz PJLIRYHJBRACAJ-IUODEOHRSA-N -1 3 369.487 2.610 20 5 FFBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480701671 515051032 /nfs/dbraw/zinc/05/10/32/515051032.db2.gz GNOUGIYHUAVOKT-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM COCc1nnc(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[n-]1 ZINC000462481854 515075071 /nfs/dbraw/zinc/07/50/71/515075071.db2.gz COBQOXVJHBHGGJ-UHFFFAOYSA-N -1 3 373.394 2.985 20 5 FFBDHM COCc1nc(Sc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n[n-]1 ZINC000462481854 515075077 /nfs/dbraw/zinc/07/50/77/515075077.db2.gz COBQOXVJHBHGGJ-UHFFFAOYSA-N -1 3 373.394 2.985 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000462492871 515083622 /nfs/dbraw/zinc/08/36/22/515083622.db2.gz VVDXWXMVEIMFAC-ZIAGYGMSSA-N -1 3 354.428 2.851 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000462499826 515088222 /nfs/dbraw/zinc/08/82/22/515088222.db2.gz GRTZKYQVYJBNSA-UKRRQHHQSA-N -1 3 362.407 2.513 20 5 FFBDHM Cc1c(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000480862010 515114111 /nfs/dbraw/zinc/11/41/11/515114111.db2.gz HOHNAPYMBFJIOU-UHFFFAOYSA-N -1 3 360.313 2.799 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C12CCC2 ZINC000480978554 515158198 /nfs/dbraw/zinc/15/81/98/515158198.db2.gz JASYFMKPPPWIQG-HUUCEWRRSA-N -1 3 368.455 2.838 20 5 FFBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)o1 ZINC000490519724 515235215 /nfs/dbraw/zinc/23/52/15/515235215.db2.gz HKSZSDNVRWNXJO-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509603882 515252852 /nfs/dbraw/zinc/25/28/52/515252852.db2.gz URASWTZBVREANL-UHFFFAOYSA-N -1 3 362.429 2.996 20 5 FFBDHM Cc1cccc(CCC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000509625536 515261494 /nfs/dbraw/zinc/26/14/94/515261494.db2.gz LCFYXHLUWWSLRN-UHFFFAOYSA-N -1 3 363.439 2.826 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000476980169 515275207 /nfs/dbraw/zinc/27/52/07/515275207.db2.gz NBUCAUZUNOXEQJ-AWEZNQCLSA-N -1 3 362.407 2.932 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000476980172 515275727 /nfs/dbraw/zinc/27/57/27/515275727.db2.gz NBUCAUZUNOXEQJ-CQSZACIVSA-N -1 3 362.407 2.932 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000463176090 515387153 /nfs/dbraw/zinc/38/71/53/515387153.db2.gz KHDFVUKWMNMOQI-SCLBCKFNSA-N -1 3 355.394 2.551 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000491583134 515456889 /nfs/dbraw/zinc/45/68/89/515456889.db2.gz GPFJJZLLWKEEBF-TZMCWYRMSA-N -1 3 372.418 2.990 20 5 FFBDHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000510363013 515517087 /nfs/dbraw/zinc/51/70/87/515517087.db2.gz JWPZDOOHQRRIEJ-WDEREUQCSA-N -1 3 373.456 2.657 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000510581771 515594158 /nfs/dbraw/zinc/59/41/58/515594158.db2.gz AWXREQWMNFISDT-OAHLLOKOSA-N -1 3 358.460 2.941 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000477838902 515612264 /nfs/dbraw/zinc/61/22/64/515612264.db2.gz VOXLZVPJTRHLTF-GUTXKFCHSA-N -1 3 361.398 2.559 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC000510982638 515736013 /nfs/dbraw/zinc/73/60/13/515736013.db2.gz GHAGMFFNUTUTIN-UHFFFAOYSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000511025032 515749500 /nfs/dbraw/zinc/74/95/00/515749500.db2.gz CYNIUJDBHHJCJS-LLVKDONJSA-N -1 3 360.395 2.819 20 5 FFBDHM COc1cc(CNc2ccc(C)c(N3CCNC3=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000487176611 515787733 /nfs/dbraw/zinc/78/77/33/515787733.db2.gz YQKUJRNKGDDOFX-UHFFFAOYSA-N -1 3 372.381 2.759 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507285498 516156613 /nfs/dbraw/zinc/15/66/13/516156613.db2.gz VDXAAVBWHNIRGJ-AUUYWEPGSA-N -1 3 369.421 2.941 20 5 FFBDHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000507285926 516158763 /nfs/dbraw/zinc/15/87/63/516158763.db2.gz VVQAYHBELADXFU-XJKSGUPXSA-N -1 3 355.394 2.693 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000507505876 516226355 /nfs/dbraw/zinc/22/63/55/516226355.db2.gz LSIDYXLDRURSNG-HIFRSBDPSA-N -1 3 355.394 2.866 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cccc([N+](=O)[O-])c1OC ZINC000483967297 516264994 /nfs/dbraw/zinc/26/49/94/516264994.db2.gz SETBLDOAFIQUOI-UHFFFAOYSA-N -1 3 363.326 2.583 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Br)c(F)c2)n1 ZINC000543735256 516400666 /nfs/dbraw/zinc/40/06/66/516400666.db2.gz SDIANXLJDYSNPH-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000561156782 516415358 /nfs/dbraw/zinc/41/53/58/516415358.db2.gz DFHRISIXRQYWOF-UHFFFAOYSA-N -1 3 361.155 2.679 20 5 FFBDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000540484261 516577016 /nfs/dbraw/zinc/57/70/16/516577016.db2.gz CEDJLEGVBNCNSU-ZBEGNZNMSA-N -1 3 368.386 2.788 20 5 FFBDHM C[C@H](Oc1cccc(F)c1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523834731 516589275 /nfs/dbraw/zinc/58/92/75/516589275.db2.gz HKJWKNOESSQRAO-NSHDSACASA-N -1 3 370.340 2.952 20 5 FFBDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000545386465 517213559 /nfs/dbraw/zinc/21/35/59/517213559.db2.gz SSIFJYPVBHXPBL-SMDDNHRTSA-N -1 3 350.396 2.931 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncn(-c2ccccc2)n1 ZINC000520459654 517401562 /nfs/dbraw/zinc/40/15/62/517401562.db2.gz BHSGBGSZOGFCGB-UHFFFAOYSA-N -1 3 353.338 2.827 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1ccc2c(c1)OCO2 ZINC000515714992 517456354 /nfs/dbraw/zinc/45/63/54/517456354.db2.gz HNXNYXLTVDEHNH-NSHDSACASA-N -1 3 364.379 2.671 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)nc1 ZINC000546073628 517528295 /nfs/dbraw/zinc/52/82/95/517528295.db2.gz WTNGPOUJPWGUOQ-UHFFFAOYSA-N -1 3 365.411 2.520 20 5 FFBDHM COCCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000546075162 517530832 /nfs/dbraw/zinc/53/08/32/517530832.db2.gz TZBFHICTGQAASR-UHFFFAOYSA-N -1 3 370.349 2.707 20 5 FFBDHM CC[C@H]1C[C@H](CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CCO1 ZINC000542885003 517798547 /nfs/dbraw/zinc/79/85/47/517798547.db2.gz VWKFLNAUBODKKN-DOMZBBRYSA-N -1 3 358.398 2.941 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000547107559 517987645 /nfs/dbraw/zinc/98/76/45/517987645.db2.gz XQLMEZBJJYJMPR-UHFFFAOYSA-N -1 3 374.378 2.992 20 5 FFBDHM CCC(=O)c1ccc(NCCCN2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000581887172 518487551 /nfs/dbraw/zinc/48/75/51/518487551.db2.gz HGZIHYKSUQNNCQ-UHFFFAOYSA-N -1 3 363.414 2.786 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c(F)cc1[N+](=O)[O-] ZINC000590591182 519277288 /nfs/dbraw/zinc/27/72/88/519277288.db2.gz PGNCRIOKVKASDD-LBPRGKRZSA-N -1 3 369.418 2.680 20 5 FFBDHM O=C([O-])c1ccnc(NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000574759884 519317560 /nfs/dbraw/zinc/31/75/60/519317560.db2.gz QLVGPMXIMQRJHV-LBPRGKRZSA-N -1 3 362.411 2.999 20 5 FFBDHM O=C([O-])C1(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000574995719 519442805 /nfs/dbraw/zinc/44/28/05/519442805.db2.gz JCMWUKCUZFITES-UHFFFAOYSA-N -1 3 373.331 2.600 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc2[nH]c(=O)oc2c1 ZINC000608789198 520129850 /nfs/dbraw/zinc/12/98/50/520129850.db2.gz JVGKMZAMPKWADR-UHFFFAOYSA-N -1 3 365.305 2.506 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccn1 ZINC000609197315 520228916 /nfs/dbraw/zinc/22/89/16/520228916.db2.gz POIPBOTWPVELHN-CQSZACIVSA-N -1 3 365.411 2.818 20 5 FFBDHM CCCCn1c(=O)[n-]nc1SCC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600515087 520302122 /nfs/dbraw/zinc/30/21/22/520302122.db2.gz RNOABZNCAHEELC-UHFFFAOYSA-N -1 3 354.363 2.806 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N(C)c1ccccc1 ZINC000603956456 520414240 /nfs/dbraw/zinc/41/42/40/520414240.db2.gz OPIAJWVXLNNNEP-GFCCVEGCSA-N -1 3 367.402 2.537 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)c(F)c1 ZINC000604019672 520429456 /nfs/dbraw/zinc/42/94/56/520429456.db2.gz MGDDGJNQPJTNOW-ZDUSSCGKSA-N -1 3 350.371 2.570 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000595381718 520438675 /nfs/dbraw/zinc/43/86/75/520438675.db2.gz ZBPIPBWOOPYSFV-NILFDRSVSA-N -1 3 368.411 2.720 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)N=c2[nH][n-]c(C)c2-c2cccc(Cl)c2)n1 ZINC000617422565 520490011 /nfs/dbraw/zinc/49/00/11/520490011.db2.gz USUSHJIIVVKYJR-UHFFFAOYSA-N -1 3 374.788 2.837 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000604490771 520577487 /nfs/dbraw/zinc/57/74/87/520577487.db2.gz OONWGPSAVRKDNJ-UHFFFAOYSA-N -1 3 361.423 2.692 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000598603680 520736951 /nfs/dbraw/zinc/73/69/51/520736951.db2.gz YSYHDOXVLIFIRQ-HNNXBMFYSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598623020 520748092 /nfs/dbraw/zinc/74/80/92/520748092.db2.gz SQOSUPDVFPYOPW-QMMMGPOBSA-N -1 3 354.762 2.880 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c(F)c1 ZINC000610711757 520808267 /nfs/dbraw/zinc/80/82/67/520808267.db2.gz CIYAXHLWYRNOIL-GFCCVEGCSA-N -1 3 372.761 2.799 20 5 FFBDHM O=c1[n-]ccc(NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)c1[N+](=O)[O-] ZINC000599138031 521049584 /nfs/dbraw/zinc/04/95/84/521049584.db2.gz DOGTURGCABRTNN-ZDUSSCGKSA-N -1 3 364.789 2.666 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000599362235 521175409 /nfs/dbraw/zinc/17/54/09/521175409.db2.gz IOHYIHWQSBCXJG-UPJWGTAASA-N -1 3 361.423 2.858 20 5 FFBDHM O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555622 521217149 /nfs/dbraw/zinc/21/71/49/521217149.db2.gz KHQGRHJKSNKFOF-INIZCTEOSA-N -1 3 369.421 2.942 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1 ZINC000611619191 521252522 /nfs/dbraw/zinc/25/25/22/521252522.db2.gz JQXPOWIMGHYJLS-QMMMGPOBSA-N -1 3 359.766 2.822 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000619475591 521587591 /nfs/dbraw/zinc/58/75/91/521587591.db2.gz QLKJUCGVDMWQJH-UHFFFAOYSA-N -1 3 362.816 2.797 20 5 FFBDHM Cn1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(C(F)F)n1 ZINC000533675994 562515943 /nfs/dbraw/zinc/51/59/43/562515943.db2.gz QLMDSVMVOQXFSU-UHFFFAOYSA-N -1 3 362.296 2.908 20 5 FFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1F)Nc1ccccc1[N+](=O)[O-] ZINC000737946867 599063903 /nfs/dbraw/zinc/06/39/03/599063903.db2.gz HLNJKROSMZTMQR-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1F)Nc1ccccc1[N+](=O)[O-] ZINC000737946867 599063905 /nfs/dbraw/zinc/06/39/05/599063905.db2.gz HLNJKROSMZTMQR-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1OCCc2sccc21 ZINC000823630279 599076986 /nfs/dbraw/zinc/07/69/86/599076986.db2.gz VKXZOVSPHBSLBM-ZDUSSCGKSA-N -1 3 358.383 2.562 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1OCCc2sccc21 ZINC000823630279 599076989 /nfs/dbraw/zinc/07/69/89/599076989.db2.gz VKXZOVSPHBSLBM-ZDUSSCGKSA-N -1 3 358.383 2.562 20 5 FFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1ccccc1 ZINC000735671352 599230436 /nfs/dbraw/zinc/23/04/36/599230436.db2.gz VISVSKHCURFSKB-UHFFFAOYSA-N -1 3 353.386 2.851 20 5 FFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Cc1ccccc1 ZINC000735671352 599230439 /nfs/dbraw/zinc/23/04/39/599230439.db2.gz VISVSKHCURFSKB-UHFFFAOYSA-N -1 3 353.386 2.851 20 5 FFBDHM CCOc1cccc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000821427251 607331958 /nfs/dbraw/zinc/33/19/58/607331958.db2.gz PUMHXYXFFVNNBA-UHFFFAOYSA-N -1 3 354.370 2.828 20 5 FFBDHM CCOc1cccc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000821427251 607331959 /nfs/dbraw/zinc/33/19/59/607331959.db2.gz PUMHXYXFFVNNBA-UHFFFAOYSA-N -1 3 354.370 2.828 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](c2cccc(F)c2)C1 ZINC000738357667 598246381 /nfs/dbraw/zinc/24/63/81/598246381.db2.gz IILGKFROEPKGSW-ZDUSSCGKSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](c2cccc(F)c2)C1 ZINC000738357667 598246383 /nfs/dbraw/zinc/24/63/83/598246383.db2.gz IILGKFROEPKGSW-ZDUSSCGKSA-N -1 3 354.345 2.908 20 5 FFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000735660738 598487834 /nfs/dbraw/zinc/48/78/34/598487834.db2.gz OPPUAYVWXOHHDV-UHFFFAOYSA-N -1 3 369.385 2.513 20 5 FFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000735660738 598487836 /nfs/dbraw/zinc/48/78/36/598487836.db2.gz OPPUAYVWXOHHDV-UHFFFAOYSA-N -1 3 369.385 2.513 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000738360575 598609389 /nfs/dbraw/zinc/60/93/89/598609389.db2.gz QYUKBABDKHBQLJ-JXMROGBWSA-N -1 3 361.321 2.995 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000738360575 598609391 /nfs/dbraw/zinc/60/93/91/598609391.db2.gz QYUKBABDKHBQLJ-JXMROGBWSA-N -1 3 361.321 2.995 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737373739 598649163 /nfs/dbraw/zinc/64/91/63/598649163.db2.gz UTZDOMCFAKGYOA-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737373739 598649165 /nfs/dbraw/zinc/64/91/65/598649165.db2.gz UTZDOMCFAKGYOA-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1ccc(OCCN(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822262892 599365799 /nfs/dbraw/zinc/36/57/99/599365799.db2.gz GFRDJBWDFZUARR-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1ccc(OCCN(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822262892 599365802 /nfs/dbraw/zinc/36/58/02/599365802.db2.gz GFRDJBWDFZUARR-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738233151 599501072 /nfs/dbraw/zinc/50/10/72/599501072.db2.gz DMUGPRYHPVMFEC-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738233151 599501074 /nfs/dbraw/zinc/50/10/74/599501074.db2.gz DMUGPRYHPVMFEC-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC000826450818 607523648 /nfs/dbraw/zinc/52/36/48/607523648.db2.gz FHUPYPVQPMXLIT-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccs1 ZINC000826450818 607523650 /nfs/dbraw/zinc/52/36/50/607523650.db2.gz FHUPYPVQPMXLIT-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM Cc1c(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826236538 607654411 /nfs/dbraw/zinc/65/44/11/607654411.db2.gz QLIOFHIHMYLIKP-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1c(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826236538 607654413 /nfs/dbraw/zinc/65/44/13/607654413.db2.gz QLIOFHIHMYLIKP-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1nn(CN(C2CC2)C2CCN(C(=O)[O-])CC2)c2ccc([N+](=O)[O-])cc12 ZINC000830871466 604733331 /nfs/dbraw/zinc/73/33/31/604733331.db2.gz TYMXBSKMXQFVSW-UHFFFAOYSA-N -1 3 373.413 2.817 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3C[C@@H]4CCCC[C@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645589 606106083 /nfs/dbraw/zinc/10/60/83/606106083.db2.gz UMJNHAIOWGEZNY-RYUDHWBXSA-N -1 3 365.397 2.950 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3C[C@@H]4CCCC[C@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645589 606106086 /nfs/dbraw/zinc/10/60/86/606106086.db2.gz UMJNHAIOWGEZNY-RYUDHWBXSA-N -1 3 365.397 2.950 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821695098 606137727 /nfs/dbraw/zinc/13/77/27/606137727.db2.gz JOQDXKHFXJXDHC-UHFFFAOYSA-N -1 3 358.333 2.673 20 5 FFBDHM COCc1cc([N+](=O)[O-])ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821695098 606137729 /nfs/dbraw/zinc/13/77/29/606137729.db2.gz JOQDXKHFXJXDHC-UHFFFAOYSA-N -1 3 358.333 2.673 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821427740 606156957 /nfs/dbraw/zinc/15/69/57/606156957.db2.gz YZYHZXMTOUWQKP-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821427740 606156959 /nfs/dbraw/zinc/15/69/59/606156959.db2.gz YZYHZXMTOUWQKP-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823066298 606264058 /nfs/dbraw/zinc/26/40/58/606264058.db2.gz UARWJHYPHPOGGI-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823066298 606264060 /nfs/dbraw/zinc/26/40/60/606264060.db2.gz UARWJHYPHPOGGI-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823346080 606271196 /nfs/dbraw/zinc/27/11/96/606271196.db2.gz IAIBCLYJZISTLE-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823346080 606271198 /nfs/dbraw/zinc/27/11/98/606271198.db2.gz IAIBCLYJZISTLE-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM CCCCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(C)C ZINC000821072178 606402998 /nfs/dbraw/zinc/40/29/98/606402998.db2.gz RNFAWSYZTMMSCP-STQMWFEESA-N -1 3 361.406 2.566 20 5 FFBDHM CCCCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(C)C ZINC000821072178 606402999 /nfs/dbraw/zinc/40/29/99/606402999.db2.gz RNFAWSYZTMMSCP-STQMWFEESA-N -1 3 361.406 2.566 20 5 FFBDHM CC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820915219 606588451 /nfs/dbraw/zinc/58/84/51/606588451.db2.gz UGYSXFLYJGNSRA-MRXNPFEDSA-N -1 3 366.381 2.585 20 5 FFBDHM CC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820915219 606588453 /nfs/dbraw/zinc/58/84/53/606588453.db2.gz UGYSXFLYJGNSRA-MRXNPFEDSA-N -1 3 366.381 2.585 20 5 FFBDHM O=[N+]([O-])c1cc(NC[C@H]2CCN(c3ccccc3)C2)ccc1-c1nnn[n-]1 ZINC000823634175 606645212 /nfs/dbraw/zinc/64/52/12/606645212.db2.gz BRRJUNRHTDRPDC-CYBMUJFWSA-N -1 3 365.397 2.713 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000820449700 606791020 /nfs/dbraw/zinc/79/10/20/606791020.db2.gz AVEDWYVZYJHVAG-SNVBAGLBSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000820449700 606791021 /nfs/dbraw/zinc/79/10/21/606791021.db2.gz AVEDWYVZYJHVAG-SNVBAGLBSA-N -1 3 369.385 2.550 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCC(F)(F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823644621 606882870 /nfs/dbraw/zinc/88/28/70/606882870.db2.gz JMDMUBAFPKEVGD-QMMMGPOBSA-N -1 3 361.312 2.923 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCC(F)(F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823644621 606882872 /nfs/dbraw/zinc/88/28/72/606882872.db2.gz JMDMUBAFPKEVGD-QMMMGPOBSA-N -1 3 361.312 2.923 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(CCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823643782 606948058 /nfs/dbraw/zinc/94/80/58/606948058.db2.gz ARSVXCPXBYFUIS-UHFFFAOYSA-N -1 3 351.370 2.704 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(CCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823643782 606948059 /nfs/dbraw/zinc/94/80/59/606948059.db2.gz ARSVXCPXBYFUIS-UHFFFAOYSA-N -1 3 351.370 2.704 20 5 FFBDHM C[C@H](O)C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820473878 607045894 /nfs/dbraw/zinc/04/58/94/607045894.db2.gz NKMLSFNWPHRIFL-JSGCOSHPSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@H](O)C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820473878 607045896 /nfs/dbraw/zinc/04/58/96/607045896.db2.gz NKMLSFNWPHRIFL-JSGCOSHPSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@H](O)C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820474485 607046242 /nfs/dbraw/zinc/04/62/42/607046242.db2.gz RTYGEOBDXLYQFO-SWLSCSKDSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@H](O)C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820474485 607046243 /nfs/dbraw/zinc/04/62/43/607046243.db2.gz RTYGEOBDXLYQFO-SWLSCSKDSA-N -1 3 368.397 2.742 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826498107 607872370 /nfs/dbraw/zinc/87/23/70/607872370.db2.gz HSXSHFWINSCMDE-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826498107 607872371 /nfs/dbraw/zinc/87/23/71/607872371.db2.gz HSXSHFWINSCMDE-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000826465106 607929027 /nfs/dbraw/zinc/92/90/27/607929027.db2.gz ZBSFCDIPYQJBRX-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000826465106 607929028 /nfs/dbraw/zinc/92/90/28/607929028.db2.gz ZBSFCDIPYQJBRX-UHFFFAOYSA-N -1 3 364.321 2.613 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826454289 608157280 /nfs/dbraw/zinc/15/72/80/608157280.db2.gz QJUTURQKFZJLGC-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826454289 608157282 /nfs/dbraw/zinc/15/72/82/608157282.db2.gz QJUTURQKFZJLGC-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM CCOc1cc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000825616171 608178656 /nfs/dbraw/zinc/17/86/56/608178656.db2.gz YTABDHMZWHYURB-UHFFFAOYSA-N -1 3 372.297 2.874 20 5 FFBDHM CCOc1cc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000825616171 608178657 /nfs/dbraw/zinc/17/86/57/608178657.db2.gz YTABDHMZWHYURB-UHFFFAOYSA-N -1 3 372.297 2.874 20 5 FFBDHM Cc1cccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000826297461 608194408 /nfs/dbraw/zinc/19/44/08/608194408.db2.gz IQYDBABOIYMKLH-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1cccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)c1 ZINC000826297461 608194409 /nfs/dbraw/zinc/19/44/09/608194409.db2.gz IQYDBABOIYMKLH-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM CC[C@@H](CSC)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825125962 608296958 /nfs/dbraw/zinc/29/69/58/608296958.db2.gz GCTLOUUWCJRZLH-JTQLQIEISA-N -1 3 373.442 2.901 20 5 FFBDHM CC[C@@H](CSC)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000825125962 608296960 /nfs/dbraw/zinc/29/69/60/608296960.db2.gz GCTLOUUWCJRZLH-JTQLQIEISA-N -1 3 373.442 2.901 20 5 FFBDHM O=[N+]([O-])c1cccc(CCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826499772 608302559 /nfs/dbraw/zinc/30/25/59/608302559.db2.gz WYJVLOWCJNXBDT-UHFFFAOYSA-N -1 3 365.397 2.703 20 5 FFBDHM O=[N+]([O-])c1cccc(CCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000826499772 608302561 /nfs/dbraw/zinc/30/25/61/608302561.db2.gz WYJVLOWCJNXBDT-UHFFFAOYSA-N -1 3 365.397 2.703 20 5 FFBDHM Cc1cnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000826318832 608442035 /nfs/dbraw/zinc/44/20/35/608442035.db2.gz BETKDGGROMBMEW-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1cnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000826318832 608442037 /nfs/dbraw/zinc/44/20/37/608442037.db2.gz BETKDGGROMBMEW-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)C=Cc1ccccc1Cl ZINC000125473716 728683888 /nfs/dbraw/zinc/68/38/88/728683888.db2.gz UTJHVTYHNNLMPW-VQHVLOKHSA-N -1 3 354.775 2.560 20 5 FFBDHM Cc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(=O)[n-]1 ZINC000135494483 728738470 /nfs/dbraw/zinc/73/84/70/728738470.db2.gz MBVXCQBLEVSDIP-UHFFFAOYSA-N -1 3 364.789 2.828 20 5 FFBDHM C[C@H](O)c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000178615677 729166075 /nfs/dbraw/zinc/16/60/75/729166075.db2.gz JRBNFTMRWNYEBS-JTQLQIEISA-N -1 3 370.814 2.780 20 5 FFBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000731170009 734669505 /nfs/dbraw/zinc/66/95/05/734669505.db2.gz AXUAAGWZBSNRPZ-UHFFFAOYSA-N -1 3 363.370 2.954 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCOC2)c(Cl)c1 ZINC000921854932 738056995 /nfs/dbraw/zinc/05/69/95/738056995.db2.gz NXILTJAHWFPYIJ-ABAIWWIYSA-N -1 3 374.846 2.732 20 5 FFBDHM Cc1c(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000852757879 749945809 /nfs/dbraw/zinc/94/58/09/749945809.db2.gz OZVWERVIAPXZAJ-MFKMUULPSA-N -1 3 359.348 2.792 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1 ZINC000028782123 845049739 /nfs/dbraw/zinc/04/97/39/845049739.db2.gz WLKFFCUGDUIWFX-UHFFFAOYSA-N -1 3 356.743 2.778 20 5 FFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001575509019 949113201 /nfs/dbraw/zinc/11/32/01/949113201.db2.gz BESJUJKZUMIFFL-NSHDSACASA-N -1 3 352.354 2.608 20 5 FFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC001575509019 949113212 /nfs/dbraw/zinc/11/32/12/949113212.db2.gz BESJUJKZUMIFFL-NSHDSACASA-N -1 3 352.354 2.608 20 5 FFBDHM O=C1[N-]C(=O)C(=CNCCCCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000157976151 984731155 /nfs/dbraw/zinc/73/11/55/984731155.db2.gz QSAZZECUAVUEPG-AQTBWJFISA-N -1 3 365.389 2.818 20 5 FFBDHM CCCCc1nc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(C(=O)OCC)[n-]1 ZINC001128073890 986443900 /nfs/dbraw/zinc/44/39/00/986443900.db2.gz MRXRJNNZRVCSAO-UHFFFAOYSA-N -1 3 354.407 2.703 20 5 FFBDHM COC(=O)c1c(F)ccc(Cl)c1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001129256160 990666457 /nfs/dbraw/zinc/66/64/57/990666457.db2.gz UFXAMZNNIODESQ-UHFFFAOYSA-N -1 3 353.693 2.821 20 5 FFBDHM C[C@](NCCC(=O)Nc1ccccc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593262609 994555936 /nfs/dbraw/zinc/55/59/36/994555936.db2.gz ULQCVTOGYKGTGX-GOSISDBHSA-N -1 3 357.366 2.513 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000811917453 995289107 /nfs/dbraw/zinc/28/91/07/995289107.db2.gz GOCKXKJDUTYRNS-UHFFFAOYSA-N -1 3 367.361 2.833 20 5 FFBDHM COC(=O)Nc1ccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1[O-] ZINC000745652964 999924162 /nfs/dbraw/zinc/92/41/62/999924162.db2.gz OJMSHTIRGZEIDD-UHFFFAOYSA-N -1 3 360.322 2.878 20 5 FFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001148159087 1001048840 /nfs/dbraw/zinc/04/88/40/1001048840.db2.gz GGLOFQCRJCYCIO-UHFFFAOYSA-N -1 3 358.310 2.587 20 5 FFBDHM C[C@H](NC(=O)OC(C)(C)C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853295361 1006361635 /nfs/dbraw/zinc/36/16/35/1006361635.db2.gz QLQPGBWSEMOXKW-NSHDSACASA-N -1 3 366.418 2.825 20 5 FFBDHM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001179183363 1009272368 /nfs/dbraw/zinc/27/23/68/1009272368.db2.gz RLJDCIUUILESJL-WHGOUJPWSA-N -1 3 369.303 2.713 20 5 FFBDHM C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1nc(C(F)(F)F)n[n-]1 ZINC001179177106 1009280953 /nfs/dbraw/zinc/28/09/53/1009280953.db2.gz PECZXILZUWXSLA-ZCFIWIBFSA-N -1 3 369.259 2.969 20 5 FFBDHM Cc1ccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)nc1 ZINC001212837869 1009473497 /nfs/dbraw/zinc/47/34/97/1009473497.db2.gz CSXUFPXAHCZKFO-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1ccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)nc1 ZINC001212837869 1009473505 /nfs/dbraw/zinc/47/35/05/1009473505.db2.gz CSXUFPXAHCZKFO-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001137441306 1018471850 /nfs/dbraw/zinc/47/18/50/1018471850.db2.gz AWFVLFAAMXMLRK-UHFFFAOYSA-N -1 3 356.313 2.760 20 5 FFBDHM CCOc1cc(COC(=O)c2cc(F)cc3[n-]nnc32)ccc1[N+](=O)[O-] ZINC000800259063 1020166741 /nfs/dbraw/zinc/16/67/41/1020166741.db2.gz JKIMGTBRVLMDCQ-UHFFFAOYSA-N -1 3 360.301 2.761 20 5 FFBDHM CCOc1cc(COC(=O)c2cc(F)cc3nn[n-]c32)ccc1[N+](=O)[O-] ZINC000800259063 1020166744 /nfs/dbraw/zinc/16/67/44/1020166744.db2.gz JKIMGTBRVLMDCQ-UHFFFAOYSA-N -1 3 360.301 2.761 20 5 FFBDHM CCOc1cc(COC(=O)c2cc(F)cc3n[n-]nc32)ccc1[N+](=O)[O-] ZINC000800259063 1020166757 /nfs/dbraw/zinc/16/67/57/1020166757.db2.gz JKIMGTBRVLMDCQ-UHFFFAOYSA-N -1 3 360.301 2.761 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc(-n2cccc2)ccn1 ZINC000493344853 1020623670 /nfs/dbraw/zinc/62/36/70/1020623670.db2.gz SVUKTRYYHXOCRD-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM Cc1ccc(CN2CCCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)cc1 ZINC001118222395 1022129068 /nfs/dbraw/zinc/12/90/68/1022129068.db2.gz ZZKMLHNYKACCCD-UHFFFAOYSA-N -1 3 370.409 2.709 20 5 FFBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 ZINC001122988589 1023586175 /nfs/dbraw/zinc/58/61/75/1023586175.db2.gz CJLZDNKEEKRRPT-VXGBXAGGSA-N -1 3 358.402 2.507 20 5 FFBDHM COc1cc(CN(CCc2ccccc2)CC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000840995269 1029966965 /nfs/dbraw/zinc/96/69/65/1029966965.db2.gz ZORMNFQUQMPELN-UHFFFAOYSA-N -1 3 374.393 2.741 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001138247570 1034016718 /nfs/dbraw/zinc/01/67/18/1034016718.db2.gz RZBJUBVWWSHLFW-UHFFFAOYSA-N -1 3 360.391 2.926 20 5 FFBDHM C[C@H](C[N+](C)(C)C)Oc1cc([O-])cc2oc3c(O)ccc(=O)c-3c([O-])c12 ZINC001234125189 1036928785 /nfs/dbraw/zinc/92/87/85/1036928785.db2.gz OJIRGOMXNILBPW-SNVBAGLBSA-O -1 3 360.386 2.537 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c(F)cc1[N+](=O)[O-] ZINC001210768196 1039721059 /nfs/dbraw/zinc/72/10/59/1039721059.db2.gz VPHPFYODGNCLTI-UHFFFAOYSA-N -1 3 366.370 2.551 20 5 FFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cnccc2C(F)(F)F)cs1 ZINC001213183568 1040315996 /nfs/dbraw/zinc/31/59/96/1040315996.db2.gz AGXDOBCXYVUIBP-UHFFFAOYSA-N -1 3 367.330 2.549 20 5 FFBDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309642275 1043466211 /nfs/dbraw/zinc/46/62/11/1043466211.db2.gz AVHRPNCHCQSFKS-NXEZZACHSA-N -1 3 350.487 2.917 20 5 FFBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c(Cl)n1 ZINC001309807478 1043535976 /nfs/dbraw/zinc/53/59/76/1043535976.db2.gz QSHMOOQEFNQWSH-UHFFFAOYSA-N -1 3 373.793 2.878 20 5 FFBDHM Cc1c(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cccc1[N+](=O)[O-] ZINC001296420600 1050057235 /nfs/dbraw/zinc/05/72/35/1050057235.db2.gz MBXHSSOTKWAOJK-UHFFFAOYSA-N -1 3 373.315 2.953 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001301884958 1051011581 /nfs/dbraw/zinc/01/15/81/1051011581.db2.gz MUCHOQZEUWVOLO-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001301884958 1051011592 /nfs/dbraw/zinc/01/15/92/1051011592.db2.gz MUCHOQZEUWVOLO-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC)c([O-])c1 ZINC001337090216 1054470899 /nfs/dbraw/zinc/47/08/99/1054470899.db2.gz HESYMDPOPKJGKW-UHFFFAOYSA-N -1 3 359.338 2.771 20 5 FFBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001450049801 1058965137 /nfs/dbraw/zinc/96/51/37/1058965137.db2.gz ICNGZEJKMKWLCI-UHFFFAOYSA-N -1 3 370.321 2.590 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)c([N+](=O)[O-])s1 ZINC001475268003 1061025148 /nfs/dbraw/zinc/02/51/48/1061025148.db2.gz KNBIGLKTGHNHKP-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM COc1cc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c([N+](=O)[O-])cc1F ZINC001460727814 1061078061 /nfs/dbraw/zinc/07/80/61/1061078061.db2.gz RYFZDXWMVSAVOB-UHFFFAOYSA-N -1 3 360.345 2.631 20 5 FFBDHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC001475565604 1061140633 /nfs/dbraw/zinc/14/06/33/1061140633.db2.gz DLAZLUKAVMJBDM-MRVPVSSYSA-N -1 3 359.404 2.847 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCc2c(=O)[n-]cnc21 ZINC001462319573 1061581198 /nfs/dbraw/zinc/58/11/98/1061581198.db2.gz MUKICRUMZGQDGF-UHFFFAOYSA-N -1 3 368.271 2.702 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCC3)c([N+](=O)[O-])s1 ZINC001462832835 1061795265 /nfs/dbraw/zinc/79/52/65/1061795265.db2.gz JKCGRRSSBNVUKY-UHFFFAOYSA-N -1 3 352.437 2.932 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528506999 1061939402 /nfs/dbraw/zinc/93/94/02/1061939402.db2.gz VBLARZTUOBDEGP-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528506999 1061939422 /nfs/dbraw/zinc/93/94/22/1061939422.db2.gz VBLARZTUOBDEGP-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM CCNC(=O)Oc1cccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC001530186163 1062509526 /nfs/dbraw/zinc/50/95/26/1062509526.db2.gz SULMBKNQRSBRSQ-UHFFFAOYSA-N -1 3 370.321 2.799 20 5 FFBDHM CC(C)c1nnc(CC2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)[nH]1 ZINC001469724638 1064200498 /nfs/dbraw/zinc/20/04/98/1064200498.db2.gz ROKLBGJIOJHCQZ-UHFFFAOYSA-N -1 3 373.413 2.637 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001470787504 1064450967 /nfs/dbraw/zinc/45/09/67/1064450967.db2.gz MCFNLPBSHFYRSE-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001470787504 1064450981 /nfs/dbraw/zinc/45/09/81/1064450981.db2.gz MCFNLPBSHFYRSE-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CCC(=O)N(C)c1ccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001576412783 1078226594 /nfs/dbraw/zinc/22/65/94/1078226594.db2.gz YQURSQNGBSAYRI-UHFFFAOYSA-N -1 3 367.369 2.891 20 5 FFBDHM CCC(=O)N(C)c1ccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001576412783 1078226597 /nfs/dbraw/zinc/22/65/97/1078226597.db2.gz YQURSQNGBSAYRI-UHFFFAOYSA-N -1 3 367.369 2.891 20 5 FFBDHM CN(CCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC001579128700 1078573394 /nfs/dbraw/zinc/57/33/94/1078573394.db2.gz XRUUOEZCXBFQDM-UHFFFAOYSA-N -1 3 371.376 2.852 20 5 FFBDHM CN(CCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001579128700 1078573401 /nfs/dbraw/zinc/57/34/01/1078573401.db2.gz XRUUOEZCXBFQDM-UHFFFAOYSA-N -1 3 371.376 2.852 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001580904912 1078890006 /nfs/dbraw/zinc/89/00/06/1078890006.db2.gz VQTPENURWFSUBW-UHFFFAOYSA-N -1 3 374.307 2.922 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001580904912 1078890015 /nfs/dbraw/zinc/89/00/15/1078890015.db2.gz VQTPENURWFSUBW-UHFFFAOYSA-N -1 3 374.307 2.922 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001581213839 1078940489 /nfs/dbraw/zinc/94/04/89/1078940489.db2.gz MUBQTRYKCGJFHJ-UHFFFAOYSA-N -1 3 365.353 2.631 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001581213839 1078940490 /nfs/dbraw/zinc/94/04/90/1078940490.db2.gz MUBQTRYKCGJFHJ-UHFFFAOYSA-N -1 3 365.353 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1F ZINC001582804394 1079110214 /nfs/dbraw/zinc/11/02/14/1079110214.db2.gz RSPSFQFSAWOTMA-UHFFFAOYSA-N -1 3 351.244 2.771 20 5 FFBDHM O=[N+]([O-])c1ccc(OCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1F ZINC001582804394 1079110219 /nfs/dbraw/zinc/11/02/19/1079110219.db2.gz RSPSFQFSAWOTMA-UHFFFAOYSA-N -1 3 351.244 2.771 20 5 FFBDHM CSc1cc2c(cc1[N-]C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)OCCO2 ZINC001584014572 1079295790 /nfs/dbraw/zinc/29/57/90/1079295790.db2.gz BJACEBPICJGSNH-UHFFFAOYSA-N -1 3 370.774 2.717 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001557791826 1075892620 /nfs/dbraw/zinc/89/26/20/1075892620.db2.gz VRXQXTIZWVLUPH-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001557791826 1075892624 /nfs/dbraw/zinc/89/26/24/1075892624.db2.gz VRXQXTIZWVLUPH-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001558572701 1076037105 /nfs/dbraw/zinc/03/71/05/1076037105.db2.gz IQCRFZCZDKKAQK-JGVFFNPUSA-N -1 3 357.292 2.713 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](CF)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001561854604 1076434457 /nfs/dbraw/zinc/43/44/57/1076434457.db2.gz BDYJZNSVJBQWEJ-CYBMUJFWSA-N -1 3 372.349 2.732 20 5 FFBDHM C[C@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001588942517 1080275809 /nfs/dbraw/zinc/27/58/09/1080275809.db2.gz BJIYXASBCQUBIN-JTQLQIEISA-N -1 3 370.344 2.681 20 5 FFBDHM C[C@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001588942517 1080275818 /nfs/dbraw/zinc/27/58/18/1080275818.db2.gz BJIYXASBCQUBIN-JTQLQIEISA-N -1 3 370.344 2.681 20 5 FFBDHM CC(C)(C)n1cc(CSCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])nn1 ZINC001589258415 1080450517 /nfs/dbraw/zinc/45/05/17/1080450517.db2.gz AGUXXCCIYNIVPG-UHFFFAOYSA-N -1 3 374.430 2.555 20 5 FFBDHM CC(C)(C)n1cc(CSCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])nn1 ZINC001589258415 1080450518 /nfs/dbraw/zinc/45/05/18/1080450518.db2.gz AGUXXCCIYNIVPG-UHFFFAOYSA-N -1 3 374.430 2.555 20 5 FFBDHM CC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC001590134237 1081040163 /nfs/dbraw/zinc/04/01/63/1081040163.db2.gz RLZKWAKMUHPZFW-UHFFFAOYSA-N -1 3 350.382 2.992 20 5 FFBDHM CC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC001590134237 1081040169 /nfs/dbraw/zinc/04/01/69/1081040169.db2.gz RLZKWAKMUHPZFW-UHFFFAOYSA-N -1 3 350.382 2.992 20 5 FFBDHM C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590239892 1081114128 /nfs/dbraw/zinc/11/41/28/1081114128.db2.gz NOJXTGGTHKHIKJ-CYHLAULCSA-N -1 3 372.429 2.541 20 5 FFBDHM CC(C)(C)N1C[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1=O ZINC000523830993 539623889 /nfs/dbraw/zinc/62/38/89/539623889.db2.gz IEPVQAYXMVMGKQ-LBPRGKRZSA-N -1 3 371.397 2.570 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(C2CCCC2)C1 ZINC000106891400 250296916 /nfs/dbraw/zinc/29/69/16/250296916.db2.gz AZNBMNWLDZCWHU-LLVKDONJSA-N -1 3 373.862 2.543 20 5 FFBDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000272424172 252035027 /nfs/dbraw/zinc/03/50/27/252035027.db2.gz XUFFYHQBPUQXPO-VXGBXAGGSA-N -1 3 369.368 2.592 20 5 FFBDHM COc1cc(C[NH2+]C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000277148150 256165669 /nfs/dbraw/zinc/16/56/69/256165669.db2.gz CKSTWMSAJFQSRM-OAHLLOKOSA-N -1 3 374.393 2.651 20 5 FFBDHM Cc1c(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000289513439 257284978 /nfs/dbraw/zinc/28/49/78/257284978.db2.gz RCOQFJPKHVKQJP-GFCCVEGCSA-N -1 3 359.348 2.794 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2nccs2)cc1C ZINC000290107471 257315693 /nfs/dbraw/zinc/31/56/93/257315693.db2.gz JGLGVIJVGPZAPV-UHFFFAOYSA-N -1 3 355.441 2.579 20 5 FFBDHM Nc1nc([N-][C@@H](C(=O)Nc2ccccc2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000301167320 258030685 /nfs/dbraw/zinc/03/06/85/258030685.db2.gz RXQCFDGITGAEKP-OAHLLOKOSA-N -1 3 364.365 2.759 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c1C ZINC000330646905 258167444 /nfs/dbraw/zinc/16/74/44/258167444.db2.gz ZJZXHUJHKGZPEM-UKRRQHHQSA-N -1 3 356.444 2.694 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000330842415 258171703 /nfs/dbraw/zinc/17/17/03/258171703.db2.gz MSYYSQPJMWBSRX-JQWIXIFHSA-N -1 3 360.457 2.556 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000331142403 258178438 /nfs/dbraw/zinc/17/84/38/258178438.db2.gz FMUNDRSDWDURFB-DGCLKSJQSA-N -1 3 374.484 2.946 20 5 FFBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000066106234 506424541 /nfs/dbraw/zinc/42/45/41/506424541.db2.gz IVENUEWRAOWBKW-UHFFFAOYSA-N -1 3 369.468 2.969 20 5 FFBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067156422 506777458 /nfs/dbraw/zinc/77/74/58/506777458.db2.gz ZKFVKZDIKOPASU-UHFFFAOYSA-N -1 3 350.714 2.977 20 5 FFBDHM CC(C)(C)c1nnc([N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)s1 ZINC000055975571 506901813 /nfs/dbraw/zinc/90/18/13/506901813.db2.gz BPECYQBCVHAPLS-UHFFFAOYSA-N -1 3 373.398 2.577 20 5 FFBDHM CCOCc1ccccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000056041164 506915733 /nfs/dbraw/zinc/91/57/33/506915733.db2.gz QQCUINWCXWFTHL-UHFFFAOYSA-N -1 3 364.423 2.918 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c(F)c1 ZINC000056039921 506916468 /nfs/dbraw/zinc/91/64/68/506916468.db2.gz ANYVKROCACBCKY-UHFFFAOYSA-N -1 3 350.780 2.927 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000045808494 507024956 /nfs/dbraw/zinc/02/49/56/507024956.db2.gz YRZNPKJZKOJCMC-UHFFFAOYSA-N -1 3 362.407 2.961 20 5 FFBDHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000023762032 507371857 /nfs/dbraw/zinc/37/18/57/507371857.db2.gz YHKPOQFNDADEIS-SNVBAGLBSA-N -1 3 365.415 2.730 20 5 FFBDHM CCCCn1c(=O)[n-]nc1S[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000025108428 507467575 /nfs/dbraw/zinc/46/75/75/507467575.db2.gz WENTYWUHRWDDAZ-SNVBAGLBSA-N -1 3 365.415 2.811 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOc2ccccc2)cc1C ZINC000060498131 507552322 /nfs/dbraw/zinc/55/23/22/507552322.db2.gz YLKDKXGOUIDKEA-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000028082319 507707777 /nfs/dbraw/zinc/70/77/77/507707777.db2.gz ZDKUEQBMUNJDDT-UHFFFAOYSA-N -1 3 358.379 2.890 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000028753706 507740600 /nfs/dbraw/zinc/74/06/00/507740600.db2.gz IPJZQQSOPQPBSW-UHFFFAOYSA-N -1 3 360.347 2.944 20 5 FFBDHM CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccccc2C1 ZINC000029911573 507795665 /nfs/dbraw/zinc/79/56/65/507795665.db2.gz YQBAOHGBLMWIHR-KRWDZBQOSA-N -1 3 369.421 2.867 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000111358402 508093726 /nfs/dbraw/zinc/09/37/26/508093726.db2.gz JLMPDGCJSKKPMH-UKRRQHHQSA-N -1 3 362.407 2.685 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000111363726 508094165 /nfs/dbraw/zinc/09/41/65/508094165.db2.gz KICVEQFPYRJSOV-SNVBAGLBSA-N -1 3 355.441 2.962 20 5 FFBDHM Cc1c(CN2CCN(C(=O)c3ccccc3[O-])CC2)cccc1[N+](=O)[O-] ZINC000080929771 508113327 /nfs/dbraw/zinc/11/33/27/508113327.db2.gz SMOVDUCWQLCUBM-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(C)C)nc2)c([N+](=O)[O-])c1 ZINC000101572366 508247934 /nfs/dbraw/zinc/24/79/34/508247934.db2.gz XEPYBBXBIUVEKW-UHFFFAOYSA-N -1 3 365.411 2.564 20 5 FFBDHM Cc1cccnc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000104753396 508345268 /nfs/dbraw/zinc/34/52/68/508345268.db2.gz JWJWWEIOIVGSQH-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000157032042 508512975 /nfs/dbraw/zinc/51/29/75/508512975.db2.gz XPPIXQRXAZLPMQ-UHFFFAOYSA-N -1 3 360.313 2.997 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000134671122 508557773 /nfs/dbraw/zinc/55/77/73/508557773.db2.gz JBNADCRYXLJYIA-CYBMUJFWSA-N -1 3 354.428 2.755 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)c1cccc(C)c1 ZINC000153458472 508585517 /nfs/dbraw/zinc/58/55/17/508585517.db2.gz KRMKIIRTMWZHAI-ZDUSSCGKSA-N -1 3 364.423 2.994 20 5 FFBDHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000158215701 508673251 /nfs/dbraw/zinc/67/32/51/508673251.db2.gz MHEHLDFSZGLZQN-CABZTGNLSA-N -1 3 374.415 2.586 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCCC1 ZINC000124982397 508914188 /nfs/dbraw/zinc/91/41/88/508914188.db2.gz JGKMSYVHRFNSIJ-UHFFFAOYSA-N -1 3 356.444 2.778 20 5 FFBDHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000131997981 508987978 /nfs/dbraw/zinc/98/79/78/508987978.db2.gz XNLCVESMUQXHLO-NSHDSACASA-N -1 3 354.409 2.631 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000126465306 509087660 /nfs/dbraw/zinc/08/76/60/509087660.db2.gz MRANZWPUXVLYSX-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000121417961 509172790 /nfs/dbraw/zinc/17/27/90/509172790.db2.gz JVIDUKNALMBEOD-HNNXBMFYSA-N -1 3 364.423 2.695 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1ncc(C)s1 ZINC000175887051 509199191 /nfs/dbraw/zinc/19/91/91/509199191.db2.gz PSBJZWPHDWIMCP-UHFFFAOYSA-N -1 3 371.440 2.582 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c1C ZINC000182491620 509267599 /nfs/dbraw/zinc/26/75/99/509267599.db2.gz RQMVVGHPZLUGLX-UHFFFAOYSA-N -1 3 370.471 2.823 20 5 FFBDHM O=C(Nc1ccccc1O[C@H]1CCOC1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000162963914 509324506 /nfs/dbraw/zinc/32/45/06/509324506.db2.gz AQDVFKNIHNBCJZ-LBPRGKRZSA-N -1 3 368.349 2.891 20 5 FFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000173057584 509372308 /nfs/dbraw/zinc/37/23/08/509372308.db2.gz MBSZUUSHBVDDMM-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000248608094 509388292 /nfs/dbraw/zinc/38/82/92/509388292.db2.gz VWHLQTZXCJDQBM-UGFHNGPFSA-N -1 3 372.381 2.863 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000186158868 509551440 /nfs/dbraw/zinc/55/14/40/509551440.db2.gz ZZIJGOLCGHMQJX-LBPRGKRZSA-N -1 3 362.835 2.876 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000186169489 509557572 /nfs/dbraw/zinc/55/75/72/509557572.db2.gz KMVOYMLLQVVELX-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173595728 509666133 /nfs/dbraw/zinc/66/61/33/509666133.db2.gz CWRGGCUPFASQCI-QMMMGPOBSA-N -1 3 360.388 2.844 20 5 FFBDHM Nc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193391404 509894425 /nfs/dbraw/zinc/89/44/25/509894425.db2.gz LTSWXXNHHUFCAW-GFCCVEGCSA-N -1 3 353.425 2.594 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1C ZINC000269524784 510446475 /nfs/dbraw/zinc/44/64/75/510446475.db2.gz QZGGWGCKBQEIEC-UHFFFAOYSA-N -1 3 367.387 2.635 20 5 FFBDHM O=C(O[C@@H]([C@@H]1CCCO1)C(F)(F)F)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000270249789 510734707 /nfs/dbraw/zinc/73/47/07/510734707.db2.gz OZSDFXXWPTXFMY-JQWIXIFHSA-N -1 3 359.260 2.738 20 5 FFBDHM O=C(O[C@@H]([C@@H]1CCCO1)C(F)(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000270249789 510734713 /nfs/dbraw/zinc/73/47/13/510734713.db2.gz OZSDFXXWPTXFMY-JQWIXIFHSA-N -1 3 359.260 2.738 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000195351787 510797294 /nfs/dbraw/zinc/79/72/94/510797294.db2.gz TZHHKMDELUPIKA-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM C[C@H]1[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291938641 511398295 /nfs/dbraw/zinc/39/82/95/511398295.db2.gz UEVLNQCSIFQCIF-BBRMVZONSA-N -1 3 355.394 2.693 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000273811487 511617335 /nfs/dbraw/zinc/61/73/35/511617335.db2.gz DNRXWWJHKOGJRN-FMKPAKJESA-N -1 3 370.352 2.529 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1cc(C)cc(C)c1 ZINC000303788358 511751241 /nfs/dbraw/zinc/75/12/41/511751241.db2.gz DYDUPQSAFSUPPW-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000325676088 511850402 /nfs/dbraw/zinc/85/04/02/511850402.db2.gz DEJNYNFKDLEZDN-UHFFFAOYSA-N -1 3 352.368 2.524 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000375878941 512549952 /nfs/dbraw/zinc/54/99/52/512549952.db2.gz WNFPIZDGUPRGRZ-WMLDXEAASA-N -1 3 362.407 2.651 20 5 FFBDHM O=C(c1ccc(O)cc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000369828821 512632055 /nfs/dbraw/zinc/63/20/55/512632055.db2.gz HGCGSNQPZCDFAE-UHFFFAOYSA-N -1 3 358.350 2.690 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CN2CCC[C@H](C)C2)c1C ZINC000440080057 513243639 /nfs/dbraw/zinc/24/36/39/513243639.db2.gz QJAMHRIVIRAFSB-GXTWGEPZSA-N -1 3 369.487 2.610 20 5 FFBDHM CCCc1[nH]nc(C(=O)N=c2cc(-c3ccccc3F)o[n-]2)c1[N+](=O)[O-] ZINC000448491341 513768240 /nfs/dbraw/zinc/76/82/40/513768240.db2.gz HBMNWBQKWWZFAF-UHFFFAOYSA-N -1 3 359.317 2.739 20 5 FFBDHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416440254 513773295 /nfs/dbraw/zinc/77/32/95/513773295.db2.gz CNZVAPKALCULAO-SSDOTTSWSA-N -1 3 358.363 2.643 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000416514048 513812680 /nfs/dbraw/zinc/81/26/80/513812680.db2.gz YXSROILZDVHSSI-AWEZNQCLSA-N -1 3 358.391 2.600 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CCCc1cccnc1 ZINC000416542184 513824807 /nfs/dbraw/zinc/82/48/07/513824807.db2.gz XDTXPUGIZZOAPT-CQSZACIVSA-N -1 3 363.439 2.988 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000431165225 513843148 /nfs/dbraw/zinc/84/31/48/513843148.db2.gz CGLOKJBZQXHFRX-UHFFFAOYSA-N -1 3 362.285 2.822 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCC2CCOCC2)c1[N+](=O)[O-] ZINC000451607411 513862521 /nfs/dbraw/zinc/86/25/21/513862521.db2.gz KWCCOLKNDADQGN-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c(Cl)c1 ZINC000443268465 513915031 /nfs/dbraw/zinc/91/50/31/513915031.db2.gz KMARHAZIOVVITH-UHFFFAOYSA-N -1 3 370.814 2.865 20 5 FFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccc2O1 ZINC000451722009 513937445 /nfs/dbraw/zinc/93/74/45/513937445.db2.gz YIXUGJLKIVBVEG-QMTHXVAHSA-N -1 3 366.370 2.925 20 5 FFBDHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000431595310 513937894 /nfs/dbraw/zinc/93/78/94/513937894.db2.gz IWGUXSJZPPLVEF-UHFFFAOYSA-N -1 3 372.443 2.717 20 5 FFBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436673366 513938219 /nfs/dbraw/zinc/93/82/19/513938219.db2.gz JJBGKWNEDFNZEI-QGZVFWFLSA-N -1 3 355.394 2.867 20 5 FFBDHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CC1 ZINC000431592601 513938642 /nfs/dbraw/zinc/93/86/42/513938642.db2.gz PXYKHXWTXYECBS-XYPYZODXSA-N -1 3 360.407 2.990 20 5 FFBDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000443380317 513954914 /nfs/dbraw/zinc/95/49/14/513954914.db2.gz FULIKCIQXQOYGI-JTQLQIEISA-N -1 3 370.814 2.863 20 5 FFBDHM Cc1ccnc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000436732381 513960694 /nfs/dbraw/zinc/96/06/94/513960694.db2.gz CZHVEEIRJGFUBH-UHFFFAOYSA-N -1 3 356.382 2.721 20 5 FFBDHM C[C@@H]1[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000436748887 513967102 /nfs/dbraw/zinc/96/71/02/513967102.db2.gz HYOFLUNRNVOODQ-CZUORRHYSA-N -1 3 355.394 2.693 20 5 FFBDHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436965881 514054114 /nfs/dbraw/zinc/05/41/14/514054114.db2.gz UNNPKWRDQBCQTJ-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)cc2F)c([N+](=O)[O-])c1 ZINC000414398404 514092731 /nfs/dbraw/zinc/09/27/31/514092731.db2.gz TXCNVJDWTRMQEA-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000451956906 514093977 /nfs/dbraw/zinc/09/39/77/514093977.db2.gz DNKLXQBOPFOMAM-DZGCQCFKSA-N -1 3 366.370 2.577 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000452048542 514160313 /nfs/dbraw/zinc/16/03/13/514160313.db2.gz PVATYTVBYIDIMZ-ONGXEEELSA-N -1 3 364.345 2.938 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)c(F)c(C(=O)OC)c2)n1 ZINC000427350239 514190025 /nfs/dbraw/zinc/19/00/25/514190025.db2.gz QJULGPUCSGHPLH-UHFFFAOYSA-N -1 3 370.724 2.643 20 5 FFBDHM CC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000420699897 514248102 /nfs/dbraw/zinc/24/81/02/514248102.db2.gz CEXASQCZMWPYEP-MRVPVSSYSA-N -1 3 351.222 2.682 20 5 FFBDHM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)n1C ZINC000445601146 514497781 /nfs/dbraw/zinc/49/77/81/514497781.db2.gz NCRQFVABZVDKIU-UHFFFAOYSA-N -1 3 355.354 2.938 20 5 FFBDHM O=C(CCCOc1cccnc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000439148742 514500794 /nfs/dbraw/zinc/50/07/94/514500794.db2.gz UJUOMCXZMKUVIJ-UHFFFAOYSA-N -1 3 367.365 2.600 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(O)CCCC(C)(C)C1 ZINC000445752882 514515863 /nfs/dbraw/zinc/51/58/63/514515863.db2.gz RMVLYOIAPXFSHS-MRXNPFEDSA-N -1 3 356.444 2.513 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)cc1C ZINC000461799333 514748056 /nfs/dbraw/zinc/74/80/56/514748056.db2.gz YLGNITBITYOBRV-HNNXBMFYSA-N -1 3 370.471 2.679 20 5 FFBDHM COc1c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)cccc1[N+](=O)[O-] ZINC000475904920 514849568 /nfs/dbraw/zinc/84/95/68/514849568.db2.gz XKBIEZIZQIKKLQ-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCSCC(F)(F)F)cc1[N+](=O)[O-] ZINC000467077435 514889094 /nfs/dbraw/zinc/88/90/94/514889094.db2.gz BHTXPLURCZVRJN-UHFFFAOYSA-N -1 3 364.392 2.539 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467083051 514892110 /nfs/dbraw/zinc/89/21/10/514892110.db2.gz DYRPUGHBCNGLNP-QWHCGFSZSA-N -1 3 352.437 2.874 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000467409382 514998988 /nfs/dbraw/zinc/99/89/88/514998988.db2.gz WSBVLWHOGLXQKL-GHMZBOCLSA-N -1 3 361.489 2.506 20 5 FFBDHM C[C@@H]1CN(c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000485371547 515011999 /nfs/dbraw/zinc/01/19/99/515011999.db2.gz QNGAVOZKAWOXBK-VXGBXAGGSA-N -1 3 372.381 2.561 20 5 FFBDHM CCN(CC)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462484047 515076928 /nfs/dbraw/zinc/07/69/28/515076928.db2.gz PKLLDDFFCIAUOB-UHFFFAOYSA-N -1 3 370.258 2.522 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000462488214 515080413 /nfs/dbraw/zinc/08/04/13/515080413.db2.gz VKROLPZJEXJSQO-KGLIPLIRSA-N -1 3 354.428 2.851 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C12CCC2 ZINC000480978539 515159387 /nfs/dbraw/zinc/15/93/87/515159387.db2.gz JASYFMKPPPWIQG-CABCVRRESA-N -1 3 368.455 2.838 20 5 FFBDHM O=C(COc1ccc(F)cc1F)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499042826 515177472 /nfs/dbraw/zinc/17/74/72/515177472.db2.gz HJSZZTQJAZPREJ-UHFFFAOYSA-N -1 3 374.303 2.703 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000481039720 515183230 /nfs/dbraw/zinc/18/32/30/515183230.db2.gz OBDLGICHQJMMJN-LSDHHAIUSA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)Oc1cccc(F)c1 ZINC000462697899 515195727 /nfs/dbraw/zinc/19/57/27/515195727.db2.gz JDKOFWPDZGMNDU-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1F ZINC000490462548 515222107 /nfs/dbraw/zinc/22/21/07/515222107.db2.gz CVFSGLDJRJPNDH-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000481335475 515295089 /nfs/dbraw/zinc/29/50/89/515295089.db2.gz FDWOKXQOIRQLQG-YPMHNXCESA-N -1 3 360.457 2.556 20 5 FFBDHM Cn1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc2c1cccc2F ZINC000468341965 515319092 /nfs/dbraw/zinc/31/90/92/515319092.db2.gz WYQWTBCNMGSJIY-UHFFFAOYSA-N -1 3 354.301 2.749 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c1C ZINC000481485575 515343013 /nfs/dbraw/zinc/34/30/13/515343013.db2.gz YYGUNQJUPHDEQR-ZDUSSCGKSA-N -1 3 358.460 2.677 20 5 FFBDHM O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]CCCC1CCCC1)OCCO2 ZINC000477151216 515348976 /nfs/dbraw/zinc/34/89/76/515348976.db2.gz OSDMEZJMQLNEOG-UHFFFAOYSA-N -1 3 370.427 2.615 20 5 FFBDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000510693501 515639255 /nfs/dbraw/zinc/63/92/55/515639255.db2.gz RBHBUAKGNTWAJS-UHFFFAOYSA-N -1 3 353.400 2.722 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000463867928 515648187 /nfs/dbraw/zinc/64/81/87/515648187.db2.gz UICZKVBEGODODE-KBPBESRZSA-N -1 3 356.444 2.774 20 5 FFBDHM CC(C)c1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c([O-])c1 ZINC000457115872 515662264 /nfs/dbraw/zinc/66/22/64/515662264.db2.gz CHZSMPNMZOWPRR-UHFFFAOYSA-N -1 3 370.409 2.781 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2n[nH]cc2c1 ZINC000511057055 515758577 /nfs/dbraw/zinc/75/85/77/515758577.db2.gz GPCXCBGIKGVFME-SECBINFHSA-N -1 3 364.358 2.650 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000473852877 515776222 /nfs/dbraw/zinc/77/62/22/515776222.db2.gz CCYWAGINNJZTBA-QGZVFWFLSA-N -1 3 374.400 2.930 20 5 FFBDHM CCc1nc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])sc1C ZINC000454866781 515800574 /nfs/dbraw/zinc/80/05/74/515800574.db2.gz BXWYSEQWOXROMR-UHFFFAOYSA-N -1 3 369.424 2.578 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c([N+](=O)[O-])c1 ZINC000511856043 516055714 /nfs/dbraw/zinc/05/57/14/516055714.db2.gz UPWQCNCJNAXBEI-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507285500 516156877 /nfs/dbraw/zinc/15/68/77/516156877.db2.gz VDXAAVBWHNIRGJ-KUHUBIRLSA-N -1 3 369.421 2.941 20 5 FFBDHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000479346334 516158037 /nfs/dbraw/zinc/15/80/37/516158037.db2.gz PXWRGGIXBRZUAA-YGRLFVJLSA-N -1 3 360.407 2.606 20 5 FFBDHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000497354561 516312432 /nfs/dbraw/zinc/31/24/32/516312432.db2.gz JCGSNXIWODFFAJ-LBPRGKRZSA-N -1 3 350.396 2.513 20 5 FFBDHM O=C(CSCc1ccccn1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523164332 516399785 /nfs/dbraw/zinc/39/97/85/516399785.db2.gz MUGAKDSMTOYIOF-UHFFFAOYSA-N -1 3 369.406 2.674 20 5 FFBDHM C[C@H]1CCC[C@@H](OCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000524296524 516688881 /nfs/dbraw/zinc/68/88/81/516688881.db2.gz KBGJHITUTSCMOD-SWLSCSKDSA-N -1 3 358.398 2.941 20 5 FFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541013858 516829156 /nfs/dbraw/zinc/82/91/56/516829156.db2.gz BNSBLSHRUJIWPO-UHFFFAOYSA-N -1 3 367.243 2.630 20 5 FFBDHM COC(=O)C1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)CCCC1 ZINC000562227115 516968546 /nfs/dbraw/zinc/96/85/46/516968546.db2.gz PCVOSDNSRBIJSD-UHFFFAOYSA-N -1 3 370.427 2.687 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000545599749 517306922 /nfs/dbraw/zinc/30/69/22/517306922.db2.gz QFPHENLCHUQIIE-UHFFFAOYSA-N -1 3 360.351 2.683 20 5 FFBDHM C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000515487320 517375548 /nfs/dbraw/zinc/37/55/48/517375548.db2.gz UNWUHDYRBQKSDY-CMPLNLGQSA-N -1 3 353.806 2.653 20 5 FFBDHM COc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000542102632 517384082 /nfs/dbraw/zinc/38/40/82/517384082.db2.gz MWYDIAACEZWSHL-UHFFFAOYSA-N -1 3 358.397 2.821 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000549256307 517480141 /nfs/dbraw/zinc/48/01/41/517480141.db2.gz ONZLEPACGGRMGG-BTTYYORXSA-N -1 3 356.444 2.775 20 5 FFBDHM COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000549687653 517660097 /nfs/dbraw/zinc/66/00/97/517660097.db2.gz MZFNUKKVICMABQ-SUMWQHHRSA-N -1 3 358.394 2.810 20 5 FFBDHM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000553560714 517784395 /nfs/dbraw/zinc/78/43/95/517784395.db2.gz USOARWBUJSMWAU-LLVKDONJSA-N -1 3 363.233 2.824 20 5 FFBDHM CCn1cc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c([N+](=O)[O-])n1 ZINC000539191387 517944720 /nfs/dbraw/zinc/94/47/20/517944720.db2.gz ULLFSBHHKOVMEG-UHFFFAOYSA-N -1 3 366.733 2.544 20 5 FFBDHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000522135173 517998078 /nfs/dbraw/zinc/99/80/78/517998078.db2.gz WSSWASHAXUKQPT-SNVBAGLBSA-N -1 3 356.379 2.551 20 5 FFBDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575942429 518353702 /nfs/dbraw/zinc/35/37/02/518353702.db2.gz DYKNIAZPOXUEGZ-VFZGTOFNSA-N -1 3 352.343 2.534 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2c3ccc(F)cc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000588141681 518734058 /nfs/dbraw/zinc/73/40/58/518734058.db2.gz PQAXQPOZYRXVCY-WJWGPLDTSA-N -1 3 372.399 2.904 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@H]2C)cc1[N+](=O)[O-] ZINC000588141678 518734355 /nfs/dbraw/zinc/73/43/55/518734355.db2.gz PQAXQPOZYRXVCY-JKYUHCHBSA-N -1 3 372.399 2.904 20 5 FFBDHM COc1cc(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000580201959 519057750 /nfs/dbraw/zinc/05/77/50/519057750.db2.gz LIHRIFJGMQWCKG-SKDRFNHKSA-N -1 3 374.340 2.890 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1[N+](=O)[O-] ZINC000590597592 519281867 /nfs/dbraw/zinc/28/18/67/519281867.db2.gz IMUSTGGEMHIOLY-UHFFFAOYSA-N -1 3 358.759 2.763 20 5 FFBDHM Cc1nc([N+](=O)[O-])c(-c2noc(C(=O)[N-]c3ccc(Cl)cc3)n2)n1C ZINC000578142041 519439991 /nfs/dbraw/zinc/43/99/91/519439991.db2.gz OKGATFTYPAGFFQ-UHFFFAOYSA-N -1 3 362.733 2.592 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c1C ZINC000594473046 519982973 /nfs/dbraw/zinc/98/29/73/519982973.db2.gz IYEFPUWMEIKCKB-HZPDHXFCSA-N -1 3 368.455 2.838 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594475266 519986455 /nfs/dbraw/zinc/98/64/55/519986455.db2.gz UJJOGIRWCQXHHQ-UKRRQHHQSA-N -1 3 374.846 2.874 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000594484117 519995581 /nfs/dbraw/zinc/99/55/81/519995581.db2.gz SIRPLRRLOFLHRE-STQMWFEESA-N -1 3 373.862 2.543 20 5 FFBDHM O=c1c2c([n-]n1-c1cccc([N+](=O)[O-])c1)CCN(Cc1ccccc1)C2 ZINC000594661430 520073277 /nfs/dbraw/zinc/07/32/77/520073277.db2.gz YWYQTAZEZPXFPU-QGZVFWFLSA-N -1 3 350.378 2.820 20 5 FFBDHM CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594773853 520148524 /nfs/dbraw/zinc/14/85/24/520148524.db2.gz UWKCGJAMCWSOIR-JTQLQIEISA-N -1 3 355.441 2.563 20 5 FFBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594785269 520155660 /nfs/dbraw/zinc/15/56/60/520155660.db2.gz CGMMWRRPSIXAGV-UHFFFAOYSA-N -1 3 367.427 2.627 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c2ncccc12 ZINC000592062527 520161600 /nfs/dbraw/zinc/16/16/00/520161600.db2.gz KKBIAKKYZWAZLW-QWRGUYRKSA-N -1 3 353.375 2.702 20 5 FFBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(OC)c1OC ZINC000609026207 520179911 /nfs/dbraw/zinc/17/99/11/520179911.db2.gz RXEONYOYOOTZPT-UHFFFAOYSA-N -1 3 372.337 2.749 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000594850967 520187948 /nfs/dbraw/zinc/18/79/48/520187948.db2.gz UGSMDDMNLFDTCN-UHFFFAOYSA-N -1 3 356.425 2.590 20 5 FFBDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1(F)F ZINC000594856529 520192274 /nfs/dbraw/zinc/19/22/74/520192274.db2.gz HGLSITNEBUSKHV-AWEZNQCLSA-N -1 3 371.365 2.857 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000609197040 520228751 /nfs/dbraw/zinc/22/87/51/520228751.db2.gz GCYQNYSCGRQZEG-AWEZNQCLSA-N -1 3 353.375 2.949 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2CCCC2)c1 ZINC000609418397 520306854 /nfs/dbraw/zinc/30/68/54/520306854.db2.gz VGASDSYSPACLPT-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCN(C)c1ccccc1 ZINC000603660734 520339025 /nfs/dbraw/zinc/33/90/25/520339025.db2.gz UMECTNLZOQFGCE-UHFFFAOYSA-N -1 3 363.439 2.708 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F ZINC000595417913 520458103 /nfs/dbraw/zinc/45/81/03/520458103.db2.gz KJUIGOGUMOGTIK-UHFFFAOYSA-N -1 3 370.349 2.860 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCCC2CC2)c1 ZINC000609899176 520474385 /nfs/dbraw/zinc/47/43/85/520474385.db2.gz FWWIWIOOSAYJSP-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000598195402 520487623 /nfs/dbraw/zinc/48/76/23/520487623.db2.gz MOMUNYKGTTVLPO-MRXNPFEDSA-N -1 3 369.421 2.689 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cc1[N+](=O)[O-] ZINC000604490767 520577426 /nfs/dbraw/zinc/57/74/26/520577426.db2.gz NSAKRBXDDSYWRS-UHFFFAOYSA-N -1 3 361.423 2.692 20 5 FFBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000610266094 520612897 /nfs/dbraw/zinc/61/28/97/520612897.db2.gz QEIJPYIGXZSAOQ-LERXQTSPSA-N -1 3 374.846 2.730 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)Cc2cccc([N+](=O)[O-])c2)[nH][n-]1 ZINC000610337592 520639806 /nfs/dbraw/zinc/63/98/06/520639806.db2.gz OOJDZWNTAQIRFQ-UHFFFAOYSA-N -1 3 352.350 2.597 20 5 FFBDHM COc1cc(NCCCNC(=O)c2cccc([O-])c2)c([N+](=O)[O-])cc1C ZINC000596110266 520917602 /nfs/dbraw/zinc/91/76/02/520917602.db2.gz ZDCCXDPCVYABFI-UHFFFAOYSA-N -1 3 359.382 2.849 20 5 FFBDHM O=c1[n-]ccc(N2CCC(N3CCc4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000596221627 520977811 /nfs/dbraw/zinc/97/78/11/520977811.db2.gz LNPNCVXBGAAORG-UHFFFAOYSA-N -1 3 358.373 2.866 20 5 FFBDHM CO[C@H](CS(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000599221182 521094667 /nfs/dbraw/zinc/09/46/67/521094667.db2.gz OWSXLFBSNNOYMQ-MRXNPFEDSA-N -1 3 368.386 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)nc1 ZINC000593590861 521095850 /nfs/dbraw/zinc/09/58/50/521095850.db2.gz JJCAZRMOLQAUHA-AULYBMBSSA-N -1 3 367.814 2.868 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC2CC=CC2)c1 ZINC000599387563 521192191 /nfs/dbraw/zinc/19/21/91/521192191.db2.gz XSZWRAHKHIIXOP-UHFFFAOYSA-N -1 3 361.217 2.602 20 5 FFBDHM CC(C)CCO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000599431861 521220327 /nfs/dbraw/zinc/22/03/27/521220327.db2.gz RGDNKQIGYVBJCA-CTYIDZIISA-N -1 3 371.459 2.642 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000619485991 521592429 /nfs/dbraw/zinc/59/24/29/521592429.db2.gz BQWDBUSSILCBOG-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc2ccccc2n1 ZINC000619484172 521592772 /nfs/dbraw/zinc/59/27/72/521592772.db2.gz ZICIYZJOYJCZDE-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM Cc1cc(C)c(-c2cc(=NC(=O)c3cc([N+](=O)[O-])nn3C)[nH][n-]2)cc1C ZINC000482889714 561262233 /nfs/dbraw/zinc/26/22/33/561262233.db2.gz AUDUWLURKGZHGN-UHFFFAOYSA-N -1 3 354.370 2.896 20 5 FFBDHM C[C@H](C(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000490940522 561440704 /nfs/dbraw/zinc/44/07/04/561440704.db2.gz NJMCFFFDVGYEMR-ZETCQYMHSA-N -1 3 358.276 2.811 20 5 FFBDHM Cn1[n-]c(=NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000491051045 561442453 /nfs/dbraw/zinc/44/24/53/561442453.db2.gz NSKWROQNEXPYJY-UHFFFAOYSA-N -1 3 367.312 2.756 20 5 FFBDHM Cc1nnc2ccc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)cn12 ZINC000523833536 562220587 /nfs/dbraw/zinc/22/05/87/562220587.db2.gz BRVCOOFUFLFYNE-UHFFFAOYSA-N -1 3 363.337 2.588 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3cc(-c4nnn[n-]4)ccc3F)c2)cc1 ZINC000738361146 598862331 /nfs/dbraw/zinc/86/23/31/598862331.db2.gz VHXRUZIBKKMWTN-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(Cc3cc(-c4nn[n-]n4)ccc3F)c2)cc1 ZINC000738361146 598862333 /nfs/dbraw/zinc/86/23/33/598862333.db2.gz VHXRUZIBKKMWTN-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCCC2 ZINC000736611945 598977404 /nfs/dbraw/zinc/97/74/04/598977404.db2.gz KXZVOCDCSDCGKU-HOTGVXAUSA-N -1 3 372.429 2.949 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCCC2 ZINC000736611945 598977405 /nfs/dbraw/zinc/97/74/05/598977405.db2.gz KXZVOCDCSDCGKU-HOTGVXAUSA-N -1 3 372.429 2.949 20 5 FFBDHM CCc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000736692366 599014692 /nfs/dbraw/zinc/01/46/92/599014692.db2.gz UJOQAUCDDAFVKW-UHFFFAOYSA-N -1 3 355.354 2.795 20 5 FFBDHM CCc1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000736692366 599014694 /nfs/dbraw/zinc/01/46/94/599014694.db2.gz UJOQAUCDDAFVKW-UHFFFAOYSA-N -1 3 355.354 2.795 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000820275293 599066894 /nfs/dbraw/zinc/06/68/94/599066894.db2.gz OQTOGOQCZLNXJY-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000820275293 599066897 /nfs/dbraw/zinc/06/68/97/599066897.db2.gz OQTOGOQCZLNXJY-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](COCc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820287026 599080283 /nfs/dbraw/zinc/08/02/83/599080283.db2.gz JCELSXJVPYVEKR-GFCCVEGCSA-N -1 3 354.370 2.792 20 5 FFBDHM C[C@H](COCc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820287026 599080286 /nfs/dbraw/zinc/08/02/86/599080286.db2.gz JCELSXJVPYVEKR-GFCCVEGCSA-N -1 3 354.370 2.792 20 5 FFBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000820926733 599085628 /nfs/dbraw/zinc/08/56/28/599085628.db2.gz VZJJJNJWLZTJAN-LBPRGKRZSA-N -1 3 356.390 2.688 20 5 FFBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000820926733 599085631 /nfs/dbraw/zinc/08/56/31/599085631.db2.gz VZJJJNJWLZTJAN-LBPRGKRZSA-N -1 3 356.390 2.688 20 5 FFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000820280667 599097042 /nfs/dbraw/zinc/09/70/42/599097042.db2.gz LQLUTEHNUXHQAD-MRVPVSSYSA-N -1 3 361.312 2.664 20 5 FFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000820280667 599097045 /nfs/dbraw/zinc/09/70/45/599097045.db2.gz LQLUTEHNUXHQAD-MRVPVSSYSA-N -1 3 361.312 2.664 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1sccc1-c1nnn[n-]1 ZINC000738236704 599164074 /nfs/dbraw/zinc/16/40/74/599164074.db2.gz QCDAAMBLFXLPBJ-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000737370047 599178231 /nfs/dbraw/zinc/17/82/31/599178231.db2.gz ZTLPOSUFQOKBGZ-UHFFFAOYSA-N -1 3 370.394 2.886 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000737370047 599178233 /nfs/dbraw/zinc/17/82/33/599178233.db2.gz ZTLPOSUFQOKBGZ-UHFFFAOYSA-N -1 3 370.394 2.886 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737369416 599180501 /nfs/dbraw/zinc/18/05/01/599180501.db2.gz TVRPUHXDKCPNJP-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737369416 599180502 /nfs/dbraw/zinc/18/05/02/599180502.db2.gz TVRPUHXDKCPNJP-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM C[C@@H](Cc1ccco1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736065285 599269652 /nfs/dbraw/zinc/26/96/52/599269652.db2.gz CAPLLHXJPSCHMI-JTQLQIEISA-N -1 3 365.353 2.959 20 5 FFBDHM C[C@@H](Cc1ccco1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736065285 599269655 /nfs/dbraw/zinc/26/96/55/599269655.db2.gz CAPLLHXJPSCHMI-JTQLQIEISA-N -1 3 365.353 2.959 20 5 FFBDHM O=[N+]([O-])c1ccc(N2Cc3ccccc3C(F)(F)C2)c(-c2nnn[n-]2)c1 ZINC000823640005 607331346 /nfs/dbraw/zinc/33/13/46/607331346.db2.gz OSJFTIHPGVXHPJ-UHFFFAOYSA-N -1 3 358.308 2.887 20 5 FFBDHM O=[N+]([O-])c1ccc(N2Cc3ccccc3C(F)(F)C2)c(-c2nn[n-]n2)c1 ZINC000823640005 607331347 /nfs/dbraw/zinc/33/13/47/607331347.db2.gz OSJFTIHPGVXHPJ-UHFFFAOYSA-N -1 3 358.308 2.887 20 5 FFBDHM O=[N+]([O-])c1cc(NCCc2cccc3cccnc32)ccc1-c1nnn[n-]1 ZINC000823634730 607347530 /nfs/dbraw/zinc/34/75/30/607347530.db2.gz KXHKMSMDYSMEFE-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM CNc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736885764 598489296 /nfs/dbraw/zinc/48/92/96/598489296.db2.gz DFQHBFUOXZNZKO-SNVBAGLBSA-N -1 3 368.353 2.735 20 5 FFBDHM CNc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736885764 598489298 /nfs/dbraw/zinc/48/92/98/598489298.db2.gz DFQHBFUOXZNZKO-SNVBAGLBSA-N -1 3 368.353 2.735 20 5 FFBDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737852759 598498891 /nfs/dbraw/zinc/49/88/91/598498891.db2.gz GOSHQRLKYJCVQT-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737852759 598498893 /nfs/dbraw/zinc/49/88/93/598498893.db2.gz GOSHQRLKYJCVQT-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737264253 599342562 /nfs/dbraw/zinc/34/25/62/599342562.db2.gz OQXCWTNQAKZURO-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737264253 599342563 /nfs/dbraw/zinc/34/25/63/599342563.db2.gz OQXCWTNQAKZURO-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000823639836 599466317 /nfs/dbraw/zinc/46/63/17/599466317.db2.gz IJCMASWLDLITJM-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000823639836 599466319 /nfs/dbraw/zinc/46/63/19/599466319.db2.gz IJCMASWLDLITJM-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM CC(C)CCOCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820076790 599499850 /nfs/dbraw/zinc/49/98/50/599499850.db2.gz SMTFTQNZDYNVBQ-UHFFFAOYSA-N -1 3 371.401 2.798 20 5 FFBDHM CC(C)CCOCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820076790 599499852 /nfs/dbraw/zinc/49/98/52/599499852.db2.gz SMTFTQNZDYNVBQ-UHFFFAOYSA-N -1 3 371.401 2.798 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821882869 599583131 /nfs/dbraw/zinc/58/31/31/599583131.db2.gz MRARFTHWQKBGIM-AEFFLSMTSA-N -1 3 366.381 2.926 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821882869 599583134 /nfs/dbraw/zinc/58/31/34/599583134.db2.gz MRARFTHWQKBGIM-AEFFLSMTSA-N -1 3 366.381 2.926 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1-c1nnn[n-]1 ZINC000820169241 607402193 /nfs/dbraw/zinc/40/21/93/607402193.db2.gz JFFHTUMRWBBUIW-UHFFFAOYSA-N -1 3 374.382 2.876 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1-c1nn[n-]n1 ZINC000820169241 607402195 /nfs/dbraw/zinc/40/21/95/607402195.db2.gz JFFHTUMRWBBUIW-UHFFFAOYSA-N -1 3 374.382 2.876 20 5 FFBDHM Cc1sc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826254107 607405396 /nfs/dbraw/zinc/40/53/96/607405396.db2.gz UTZKZFDPMYTOOB-UHFFFAOYSA-N -1 3 359.367 2.810 20 5 FFBDHM Cc1sc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826254107 607405397 /nfs/dbraw/zinc/40/53/97/607405397.db2.gz UTZKZFDPMYTOOB-UHFFFAOYSA-N -1 3 359.367 2.810 20 5 FFBDHM CC[C@@H](O)CN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820931033 607467543 /nfs/dbraw/zinc/46/75/43/607467543.db2.gz AGXGXVFIMMLQBJ-OAHLLOKOSA-N -1 3 368.397 2.552 20 5 FFBDHM CC[C@@H](O)CN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820931033 607467545 /nfs/dbraw/zinc/46/75/45/607467545.db2.gz AGXGXVFIMMLQBJ-OAHLLOKOSA-N -1 3 368.397 2.552 20 5 FFBDHM CC(C)(C)C[C@H](CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907769 607469564 /nfs/dbraw/zinc/46/95/64/607469564.db2.gz RRQFEKHMIZIWGA-SNVBAGLBSA-N -1 3 371.401 2.532 20 5 FFBDHM CC(C)(C)C[C@H](CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907769 607469565 /nfs/dbraw/zinc/46/95/65/607469565.db2.gz RRQFEKHMIZIWGA-SNVBAGLBSA-N -1 3 371.401 2.532 20 5 FFBDHM CCCSCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825341396 607521984 /nfs/dbraw/zinc/52/19/84/607521984.db2.gz BZJNQZNGIIWEGI-UHFFFAOYSA-N -1 3 356.795 2.510 20 5 FFBDHM CCCSCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825341396 607521985 /nfs/dbraw/zinc/52/19/85/607521985.db2.gz BZJNQZNGIIWEGI-UHFFFAOYSA-N -1 3 356.795 2.510 20 5 FFBDHM CCN(CC1CCN(CCOc2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827099952 603509264 /nfs/dbraw/zinc/50/92/64/603509264.db2.gz SROWHLLZQJTLFC-UHFFFAOYSA-N -1 3 351.403 2.686 20 5 FFBDHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000833770754 604763191 /nfs/dbraw/zinc/76/31/91/604763191.db2.gz MVFTZNAXCUFVAU-KRWDZBQOSA-N -1 3 360.366 2.512 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC2([C@H](O)c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498699 607735483 /nfs/dbraw/zinc/73/54/83/607735483.db2.gz FUNRBWQJNWSCSX-MRXNPFEDSA-N -1 3 366.381 2.701 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC2([C@H](O)c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498699 607735484 /nfs/dbraw/zinc/73/54/84/607735484.db2.gz FUNRBWQJNWSCSX-MRXNPFEDSA-N -1 3 366.381 2.701 20 5 FFBDHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820642712 606232290 /nfs/dbraw/zinc/23/22/90/606232290.db2.gz LAHDJQJIYRINMX-BXUZGUMPSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1[C@H](c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820642712 606232292 /nfs/dbraw/zinc/23/22/92/606232292.db2.gz LAHDJQJIYRINMX-BXUZGUMPSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820804441 606475193 /nfs/dbraw/zinc/47/51/93/606475193.db2.gz SJHDXLTXMUNYNC-SJCJKPOMSA-N -1 3 366.381 2.741 20 5 FFBDHM C[C@H]1CO[C@H](c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820804441 606475195 /nfs/dbraw/zinc/47/51/95/606475195.db2.gz SJHDXLTXMUNYNC-SJCJKPOMSA-N -1 3 366.381 2.741 20 5 FFBDHM CCc1ccc([C@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000821481803 606475728 /nfs/dbraw/zinc/47/57/28/606475728.db2.gz OMPNPNZJJWPMNG-OAHLLOKOSA-N -1 3 370.369 2.508 20 5 FFBDHM CCc1ccc([C@H]2COCCN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821481803 606475730 /nfs/dbraw/zinc/47/57/30/606475730.db2.gz OMPNPNZJJWPMNG-OAHLLOKOSA-N -1 3 370.369 2.508 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(CCC(F)(F)F)CC1CC1 ZINC000823630543 606594084 /nfs/dbraw/zinc/59/40/84/606594084.db2.gz ZXPAOBSKTRHLFP-UHFFFAOYSA-N -1 3 356.308 2.944 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(CCC(F)(F)F)CC1CC1 ZINC000823630543 606594085 /nfs/dbraw/zinc/59/40/85/606594085.db2.gz ZXPAOBSKTRHLFP-UHFFFAOYSA-N -1 3 356.308 2.944 20 5 FFBDHM CSc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821977656 606800688 /nfs/dbraw/zinc/80/06/88/606800688.db2.gz IYIAWJFMXBCOBR-UHFFFAOYSA-N -1 3 357.399 2.812 20 5 FFBDHM CSc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821977656 606800689 /nfs/dbraw/zinc/80/06/89/606800689.db2.gz IYIAWJFMXBCOBR-UHFFFAOYSA-N -1 3 357.399 2.812 20 5 FFBDHM Cc1cccc(CC2CN(c3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])C2)c1 ZINC000822299262 606944954 /nfs/dbraw/zinc/94/49/54/606944954.db2.gz CTLIZBCNHWJXNI-UHFFFAOYSA-N -1 3 350.382 2.762 20 5 FFBDHM Cc1cccc(CC2CN(c3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])C2)c1 ZINC000822299262 606944957 /nfs/dbraw/zinc/94/49/57/606944957.db2.gz CTLIZBCNHWJXNI-UHFFFAOYSA-N -1 3 350.382 2.762 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822928221 607074123 /nfs/dbraw/zinc/07/41/23/607074123.db2.gz DZBCYSSQGRULTO-FPYGCLRLSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822928221 607074124 /nfs/dbraw/zinc/07/41/24/607074124.db2.gz DZBCYSSQGRULTO-FPYGCLRLSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822983246 607087725 /nfs/dbraw/zinc/08/77/25/607087725.db2.gz NPGMUEYUCFCJMY-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822983246 607087727 /nfs/dbraw/zinc/08/77/27/607087727.db2.gz NPGMUEYUCFCJMY-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823261524 607200264 /nfs/dbraw/zinc/20/02/64/607200264.db2.gz LUKNIZWZBNRECO-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823261524 607200265 /nfs/dbraw/zinc/20/02/65/607200265.db2.gz LUKNIZWZBNRECO-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc([N+](=O)[O-])cc1C ZINC000826176597 607863610 /nfs/dbraw/zinc/86/36/10/607863610.db2.gz VUWZSYKUDSBGQI-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc([N+](=O)[O-])cc1C ZINC000826176597 607863611 /nfs/dbraw/zinc/86/36/11/607863611.db2.gz VUWZSYKUDSBGQI-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000826500005 607937677 /nfs/dbraw/zinc/93/76/77/607937677.db2.gz HSIZREKWQHINFQ-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000826500005 607937678 /nfs/dbraw/zinc/93/76/78/607937678.db2.gz HSIZREKWQHINFQ-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3c4ccccc4[nH]c3C2)c(-c2nnn[n-]2)c1 ZINC000826498782 607969190 /nfs/dbraw/zinc/96/91/90/607969190.db2.gz JKEXPWKFXKVGKG-UHFFFAOYSA-N -1 3 361.365 2.819 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3c4ccccc4[nH]c3C2)c(-c2nn[n-]n2)c1 ZINC000826498782 607969191 /nfs/dbraw/zinc/96/91/91/607969191.db2.gz JKEXPWKFXKVGKG-UHFFFAOYSA-N -1 3 361.365 2.819 20 5 FFBDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826471848 608121830 /nfs/dbraw/zinc/12/18/30/608121830.db2.gz OTUSKFBGRYSIMK-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826471848 608121831 /nfs/dbraw/zinc/12/18/31/608121831.db2.gz OTUSKFBGRYSIMK-UHFFFAOYSA-N -1 3 364.365 2.580 20 5 FFBDHM O=C(CCc1ccoc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826408941 608161804 /nfs/dbraw/zinc/16/18/04/608161804.db2.gz ASOUQGIWBQSISQ-UHFFFAOYSA-N -1 3 362.733 2.593 20 5 FFBDHM O=C(CCc1ccoc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826408941 608161806 /nfs/dbraw/zinc/16/18/06/608161806.db2.gz ASOUQGIWBQSISQ-UHFFFAOYSA-N -1 3 362.733 2.593 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1Cc2ccccc21 ZINC000826451243 608162350 /nfs/dbraw/zinc/16/23/50/608162350.db2.gz XKHCPSMCPILVQG-NSHDSACASA-N -1 3 370.756 2.707 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1Cc2ccccc21 ZINC000826451243 608162351 /nfs/dbraw/zinc/16/23/51/608162351.db2.gz XKHCPSMCPILVQG-NSHDSACASA-N -1 3 370.756 2.707 20 5 FFBDHM O=[N+]([O-])c1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826499527 608279613 /nfs/dbraw/zinc/27/96/13/608279613.db2.gz MJNRXFJKSABFAH-UHFFFAOYSA-N -1 3 351.370 2.661 20 5 FFBDHM O=[N+]([O-])c1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC000826499527 608279615 /nfs/dbraw/zinc/27/96/15/608279615.db2.gz MJNRXFJKSABFAH-UHFFFAOYSA-N -1 3 351.370 2.661 20 5 FFBDHM C[C@H]1CC(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000824893054 608444947 /nfs/dbraw/zinc/44/49/47/608444947.db2.gz OVPCRSMJLJBEMT-UWVGGRQHSA-N -1 3 369.385 2.691 20 5 FFBDHM C[C@H]1CC(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000824893054 608444948 /nfs/dbraw/zinc/44/49/48/608444948.db2.gz OVPCRSMJLJBEMT-UWVGGRQHSA-N -1 3 369.385 2.691 20 5 FFBDHM C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824670475 609436563 /nfs/dbraw/zinc/43/65/63/609436563.db2.gz PPLAXOGRLMFDMN-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824670475 609436565 /nfs/dbraw/zinc/43/65/65/609436565.db2.gz PPLAXOGRLMFDMN-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM CC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823942733 609507384 /nfs/dbraw/zinc/50/73/84/609507384.db2.gz IEXJCWFQYCPCBC-CSKARUKUSA-N -1 3 369.312 2.923 20 5 FFBDHM CC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823942733 609507385 /nfs/dbraw/zinc/50/73/85/609507385.db2.gz IEXJCWFQYCPCBC-CSKARUKUSA-N -1 3 369.312 2.923 20 5 FFBDHM Cc1cc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000826271485 609587431 /nfs/dbraw/zinc/58/74/31/609587431.db2.gz TUWUNPLDOSZNKI-SNVBAGLBSA-N -1 3 354.374 2.994 20 5 FFBDHM Cc1cc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000826271485 609587433 /nfs/dbraw/zinc/58/74/33/609587433.db2.gz TUWUNPLDOSZNKI-SNVBAGLBSA-N -1 3 354.374 2.994 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCCCNc1cccc(F)c1 ZINC000826497643 609603356 /nfs/dbraw/zinc/60/33/56/609603356.db2.gz OEPFEZZIFJERMR-UHFFFAOYSA-N -1 3 357.349 2.828 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCCCNc1cccc(F)c1 ZINC000826497643 609603358 /nfs/dbraw/zinc/60/33/58/609603358.db2.gz OEPFEZZIFJERMR-UHFFFAOYSA-N -1 3 357.349 2.828 20 5 FFBDHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000159418719 728906704 /nfs/dbraw/zinc/90/67/04/728906704.db2.gz ASAGDTNLUSVCIV-CQSZACIVSA-N -1 3 370.814 2.569 20 5 FFBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000118635354 728584004 /nfs/dbraw/zinc/58/40/04/728584004.db2.gz HBQBSEPQYTUWRN-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000126432727 728702162 /nfs/dbraw/zinc/70/21/62/728702162.db2.gz DLQWXMYWYSZXOK-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)CC(F)F)c([N+](=O)[O-])c1 ZINC000882578585 733251012 /nfs/dbraw/zinc/25/10/12/733251012.db2.gz PNUQSAJIXPDPAY-UHFFFAOYSA-N -1 3 352.359 2.563 20 5 FFBDHM O=C1[N-]C(=O)C(=CNCc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 ZINC000756773549 736360771 /nfs/dbraw/zinc/36/07/71/736360771.db2.gz AMQHBXDCCDXAKA-NTEUORMPSA-N -1 3 357.753 2.649 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760406341 736636627 /nfs/dbraw/zinc/63/66/27/736636627.db2.gz MJPMRSCRKZTQBA-QMMMGPOBSA-N -1 3 374.216 2.725 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000785399253 738960584 /nfs/dbraw/zinc/96/05/84/738960584.db2.gz UXAQPCSTMFECSA-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)CO2 ZINC000771773389 737754733 /nfs/dbraw/zinc/75/47/33/737754733.db2.gz DCDHNHYXKPQRGJ-ZDUSSCGKSA-N -1 3 366.370 2.763 20 5 FFBDHM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000795282953 739996520 /nfs/dbraw/zinc/99/65/20/739996520.db2.gz DNKCGLODUQJATN-DZGCQCFKSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2c(n1)CCCC2 ZINC000840951374 747240009 /nfs/dbraw/zinc/24/00/09/747240009.db2.gz XCNBYNWRRAMKCK-UHFFFAOYSA-N -1 3 365.386 2.539 20 5 FFBDHM O=C([N-]CCCOCC(F)(F)F)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580566 748965558 /nfs/dbraw/zinc/96/55/58/748965558.db2.gz YTUQWNZFRRGHHX-UHFFFAOYSA-N -1 3 372.246 2.652 20 5 FFBDHM CO[C@@H](CC[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000848591433 748968420 /nfs/dbraw/zinc/96/84/20/748968420.db2.gz CEWFYPMMOBKNFH-JTQLQIEISA-N -1 3 372.246 2.650 20 5 FFBDHM C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852757983 749946713 /nfs/dbraw/zinc/94/67/13/749946713.db2.gz UFWJOFZAUFBUSX-RISCZKNCSA-N -1 3 359.348 2.526 20 5 FFBDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736193680 944758027 /nfs/dbraw/zinc/75/80/27/944758027.db2.gz RNBQKSTZYHRFLK-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736193680 944758030 /nfs/dbraw/zinc/75/80/30/944758030.db2.gz RNBQKSTZYHRFLK-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM COc1cc(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])cc1[O-] ZINC001594058372 958062377 /nfs/dbraw/zinc/06/23/77/958062377.db2.gz RIOWWKBVAFSFTB-ADEWGFFLSA-N -1 3 352.387 2.534 20 5 FFBDHM COc1c([O-])ccc(CN2CCO[C@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000893989458 977631202 /nfs/dbraw/zinc/63/12/02/977631202.db2.gz QJWJMLPYOOIGFA-INIZCTEOSA-N -1 3 374.393 2.589 20 5 FFBDHM COC(=O)Nc1ccc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc1[O-] ZINC000745652994 999924183 /nfs/dbraw/zinc/92/41/83/999924183.db2.gz PGLVYVARKZDXPD-UHFFFAOYSA-N -1 3 364.285 2.975 20 5 FFBDHM CCc1ccc([O-])c(C(=O)N[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1 ZINC001170357088 1003123118 /nfs/dbraw/zinc/12/31/18/1003123118.db2.gz JLGPFLNHVZWJDD-IBGZPJMESA-N -1 3 372.377 2.681 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(N3CCOCC3)cc(Cl)n2)c1 ZINC001199819054 1005025489 /nfs/dbraw/zinc/02/54/89/1005025489.db2.gz JYXVZTCXBJAPNW-UHFFFAOYSA-N -1 3 350.762 2.929 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C12CCC2 ZINC000853712208 1006512701 /nfs/dbraw/zinc/51/27/01/1006512701.db2.gz GTJWYNAZUMWLCM-NWDGAFQWSA-N -1 3 364.402 2.943 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)co1 ZINC001190403109 1007613867 /nfs/dbraw/zinc/61/38/67/1007613867.db2.gz PODBHLSRVGFNNU-UHFFFAOYSA-N -1 3 359.791 2.586 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c([N+](=O)[O-])s1 ZINC001190661975 1007722469 /nfs/dbraw/zinc/72/24/69/1007722469.db2.gz CVQCQDDZIAFNMJ-LLVKDONJSA-N -1 3 354.409 2.636 20 5 FFBDHM Nc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1 ZINC000817952114 1007822275 /nfs/dbraw/zinc/82/22/75/1007822275.db2.gz HSQQRMBGSVRAJF-UHFFFAOYSA-N -1 3 357.366 2.566 20 5 FFBDHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001180226158 1009601469 /nfs/dbraw/zinc/60/14/69/1009601469.db2.gz MKSUHPYPIKLUGO-XYPYZODXSA-N -1 3 360.345 2.686 20 5 FFBDHM CC(C)(C)OC(=O)Cn1cnc2c1ncnc2[N-]c1ccccc1[N+](=O)[O-] ZINC001206158004 1011638663 /nfs/dbraw/zinc/63/86/63/1011638663.db2.gz ONOUSOZEJQTRSW-UHFFFAOYSA-N -1 3 370.369 2.820 20 5 FFBDHM COc1c(C(=O)OCc2noc(-c3ccccc3[O-])n2)cccc1[N+](=O)[O-] ZINC000796305061 1011740889 /nfs/dbraw/zinc/74/08/89/1011740889.db2.gz GLGFATZTPKDYHT-UHFFFAOYSA-N -1 3 371.305 2.716 20 5 FFBDHM O=C1CCc2c1c(-c1noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n1)ccc2F ZINC001212937069 1027443348 /nfs/dbraw/zinc/44/33/48/1027443348.db2.gz LWHHBCGIRPZERF-UHFFFAOYSA-N -1 3 356.269 2.680 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3cccn3)cc2)no1 ZINC001212937036 1027444317 /nfs/dbraw/zinc/44/43/17/1027444317.db2.gz KKTUMHSNCDVOQC-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM COc1ccccc1CO[N-]C(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000799292015 1031723611 /nfs/dbraw/zinc/72/36/11/1031723611.db2.gz PTNJICWAQWHWHY-UHFFFAOYSA-N -1 3 360.366 2.929 20 5 FFBDHM COCc1cc(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)[n-]c(=S)n1 ZINC001225931684 1034456359 /nfs/dbraw/zinc/45/63/59/1034456359.db2.gz ALPPBALAAVNMPL-MRVPVSSYSA-N -1 3 365.367 2.689 20 5 FFBDHM CCOC(=O)[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001227089835 1034931237 /nfs/dbraw/zinc/93/12/37/1034931237.db2.gz AITZNRMVZSPNFR-HNNXBMFYSA-N -1 3 369.333 2.927 20 5 FFBDHM CC[C@@H](Oc1cc(OC)cc2oc3c([O-])ccc(O)c3c(=O)c12)C(=O)OC ZINC001227641241 1035651030 /nfs/dbraw/zinc/65/10/30/1035651030.db2.gz LUFMLMJAWQQBEY-GFCCVEGCSA-N -1 3 374.345 2.696 20 5 FFBDHM Cc1ccc(C(=O)c2cc([O-])c(OC(=O)C[C@@H](C)O)c([N+](=O)[O-])c2)cc1 ZINC001227699246 1035681745 /nfs/dbraw/zinc/68/17/45/1035681745.db2.gz DVDLJRHWLQYFMV-LLVKDONJSA-N -1 3 359.334 2.516 20 5 FFBDHM CCOC(=O)[C@@H](C)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(F)(F)F ZINC001228686128 1036258374 /nfs/dbraw/zinc/25/83/74/1036258374.db2.gz LRISSHIUIBSMHO-KGFZYKRKSA-N -1 3 352.265 2.513 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2nnc(-c3cccnc3)[n-]2)CC1 ZINC001228696801 1036269075 /nfs/dbraw/zinc/26/90/75/1036269075.db2.gz BUMYDCHHDLTAMF-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2nc(-c3cccnc3)n[n-]2)CC1 ZINC001228696801 1036269089 /nfs/dbraw/zinc/26/90/89/1036269089.db2.gz BUMYDCHHDLTAMF-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2n[n-]c(-c3cccnc3)n2)CC1 ZINC001228696801 1036269104 /nfs/dbraw/zinc/26/91/04/1036269104.db2.gz BUMYDCHHDLTAMF-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM Cc1nc(O[C@H]2CCCN(Cc3ccccc3F)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229380078 1036641906 /nfs/dbraw/zinc/64/19/06/1036641906.db2.gz ZEPCNXGEGFSMDG-ZDUSSCGKSA-N -1 3 362.361 2.581 20 5 FFBDHM Cc1cc(N2CCOCC2)cc2nc(-c3ccc([N+](=O)[O-])cc3[O-])[nH]c21 ZINC001251009114 1038892512 /nfs/dbraw/zinc/89/25/12/1038892512.db2.gz FOWWUPGPNQIUKP-UHFFFAOYSA-N -1 3 354.366 2.989 20 5 FFBDHM Cc1cc(N2CCOCC2)cc2[nH]c(-c3ccc([N+](=O)[O-])cc3[O-])nc21 ZINC001251009114 1038892537 /nfs/dbraw/zinc/89/25/37/1038892537.db2.gz FOWWUPGPNQIUKP-UHFFFAOYSA-N -1 3 354.366 2.989 20 5 FFBDHM CN1CCN(c2cccc3[nH]c(-c4cc([O-])cc([N+](=O)[O-])c4)nc32)CC1 ZINC001251389212 1039107341 /nfs/dbraw/zinc/10/73/41/1039107341.db2.gz CGBPFJUORKFFBW-UHFFFAOYSA-N -1 3 353.382 2.596 20 5 FFBDHM Cn1ncc2cc(-c3noc(C(=O)[N-]c4ccc([N+](=O)[O-])cc4)n3)ccc21 ZINC001247998483 1040094528 /nfs/dbraw/zinc/09/45/28/1040094528.db2.gz FAESDMGJPSAXDG-UHFFFAOYSA-N -1 3 364.321 2.784 20 5 FFBDHM COc1ccc(OC)c(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248000399 1040096579 /nfs/dbraw/zinc/09/65/79/1040096579.db2.gz RDTNKGLDBOUKQX-UHFFFAOYSA-N -1 3 370.321 2.914 20 5 FFBDHM Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001213238618 1040366395 /nfs/dbraw/zinc/36/63/95/1040366395.db2.gz VZADOKAZSATNGM-UHFFFAOYSA-N -1 3 356.350 2.974 20 5 FFBDHM CCc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1[O-] ZINC001304254125 1051581487 /nfs/dbraw/zinc/58/14/87/1051581487.db2.gz LUCJDZYZHHZATD-UHFFFAOYSA-N -1 3 364.379 2.519 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])s1 ZINC001309203026 1052573906 /nfs/dbraw/zinc/57/39/06/1052573906.db2.gz ZAHOPZXSVRFQEY-OLZOCXBDSA-N -1 3 352.437 2.874 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c(F)cc1[N+](=O)[O-] ZINC001309361345 1052605591 /nfs/dbraw/zinc/60/55/91/1052605591.db2.gz OHQMMYICIJXKEA-INIZCTEOSA-N -1 3 365.386 2.867 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2coc3c2C(=O)CCC3)cc([N+](=O)[O-])c1 ZINC001456645116 1060168699 /nfs/dbraw/zinc/16/86/99/1060168699.db2.gz XZBDRWDTMGJDOQ-UHFFFAOYSA-N -1 3 358.306 2.746 20 5 FFBDHM C[C@@H]([N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)NCCc1ccccc1 ZINC001458420824 1060587242 /nfs/dbraw/zinc/58/72/42/1060587242.db2.gz KCJYSFJINSLDLR-GFCCVEGCSA-N -1 3 358.354 2.662 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001475231156 1061009597 /nfs/dbraw/zinc/00/95/97/1061009597.db2.gz WSPJAMPINZJMRK-VXGBXAGGSA-N -1 3 374.434 2.914 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C2=CCOCC2)c([N+](=O)[O-])s1 ZINC001475789279 1061276316 /nfs/dbraw/zinc/27/63/16/1061276316.db2.gz UKRRDPKIUJKUCI-UHFFFAOYSA-N -1 3 360.457 2.616 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001462881139 1061821718 /nfs/dbraw/zinc/82/17/18/1061821718.db2.gz PZEDYWANXRSNBX-LBPRGKRZSA-N -1 3 350.371 2.661 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)c1C ZINC001464675584 1062752440 /nfs/dbraw/zinc/75/24/40/1062752440.db2.gz DFCJKICCQBKYJR-UHFFFAOYSA-N -1 3 353.227 2.826 20 5 FFBDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001442080875 1063497765 /nfs/dbraw/zinc/49/77/65/1063497765.db2.gz QGOYIZIJOZTNAD-UHFFFAOYSA-N -1 3 373.315 2.687 20 5 FFBDHM O=C([N-]Oc1ccc(F)cc1)c1cc([N+](=O)[O-])ncc1Br ZINC001472589074 1065103173 /nfs/dbraw/zinc/10/31/73/1065103173.db2.gz LMWFMZOMLSXPJP-UHFFFAOYSA-N -1 3 356.107 2.615 20 5 FFBDHM CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1-c1nnn[n-]1 ZINC001578873278 1078538047 /nfs/dbraw/zinc/53/80/47/1078538047.db2.gz FPEAIEYVGMHMQC-UHFFFAOYSA-N -1 3 370.344 2.510 20 5 FFBDHM CN(C(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1-c1nn[n-]n1 ZINC001578873278 1078538054 /nfs/dbraw/zinc/53/80/54/1078538054.db2.gz FPEAIEYVGMHMQC-UHFFFAOYSA-N -1 3 370.344 2.510 20 5 FFBDHM COc1cc(Sc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])cc1OC ZINC001579937117 1078720826 /nfs/dbraw/zinc/72/08/26/1078720826.db2.gz DFPGVATYBVPRFD-UHFFFAOYSA-N -1 3 359.367 2.943 20 5 FFBDHM COc1cc(Sc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])cc1OC ZINC001579937117 1078720834 /nfs/dbraw/zinc/72/08/34/1078720834.db2.gz DFPGVATYBVPRFD-UHFFFAOYSA-N -1 3 359.367 2.943 20 5 FFBDHM Cc1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC001580980095 1078900834 /nfs/dbraw/zinc/90/08/34/1078900834.db2.gz IVIXOJSOQXVSCZ-UHFFFAOYSA-N -1 3 352.354 2.655 20 5 FFBDHM Cc1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC001580980095 1078900839 /nfs/dbraw/zinc/90/08/39/1078900839.db2.gz IVIXOJSOQXVSCZ-UHFFFAOYSA-N -1 3 352.354 2.655 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1C ZINC001581214059 1078939631 /nfs/dbraw/zinc/93/96/31/1078939631.db2.gz YEUNOUUVJFGGTQ-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1C ZINC001581214059 1078939637 /nfs/dbraw/zinc/93/96/37/1078939637.db2.gz YEUNOUUVJFGGTQ-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001581213669 1078940671 /nfs/dbraw/zinc/94/06/71/1078940671.db2.gz FHBFUEAISVPSKJ-UHFFFAOYSA-N -1 3 371.328 2.888 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001581213669 1078940675 /nfs/dbraw/zinc/94/06/75/1078940675.db2.gz FHBFUEAISVPSKJ-UHFFFAOYSA-N -1 3 371.328 2.888 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1CN1CCc2ccc(F)c(F)c2C1 ZINC001582803462 1079108936 /nfs/dbraw/zinc/10/89/36/1079108936.db2.gz IQFDLVYXKFIJAS-UHFFFAOYSA-N -1 3 372.335 2.611 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1CN1CCc2ccc(F)c(F)c2C1 ZINC001582803462 1079108939 /nfs/dbraw/zinc/10/89/39/1079108939.db2.gz IQFDLVYXKFIJAS-UHFFFAOYSA-N -1 3 372.335 2.611 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001557750919 1075883509 /nfs/dbraw/zinc/88/35/09/1075883509.db2.gz CIUAQONPVDUXOB-UHFFFAOYSA-N -1 3 362.773 2.941 20 5 FFBDHM C[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001558572706 1076037235 /nfs/dbraw/zinc/03/72/35/1076037235.db2.gz IQCRFZCZDKKAQK-YUMQZZPRSA-N -1 3 357.292 2.713 20 5 FFBDHM COc1cc(CNc2cccc(N3CCOC3=O)c2)c([N+](=O)[O-])cc1[O-] ZINC001560281440 1076259594 /nfs/dbraw/zinc/25/95/94/1076259594.db2.gz IGGRQGXJWXWCQM-UHFFFAOYSA-N -1 3 359.338 2.878 20 5 FFBDHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])cs1 ZINC001561208358 1076347164 /nfs/dbraw/zinc/34/71/64/1076347164.db2.gz HVTMKJTXTURWGC-UHFFFAOYSA-N -1 3 361.470 2.505 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001561414922 1076373732 /nfs/dbraw/zinc/37/37/32/1076373732.db2.gz JVLDTINGSHBWRR-QWHCGFSZSA-N -1 3 374.434 2.914 20 5 FFBDHM CC(=O)c1ccc(CCNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001588915075 1080261039 /nfs/dbraw/zinc/26/10/39/1080261039.db2.gz JHWBKPOQBSMZOF-UHFFFAOYSA-N -1 3 352.354 2.632 20 5 FFBDHM CC(=O)c1ccc(CCNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001588915075 1080261048 /nfs/dbraw/zinc/26/10/48/1080261048.db2.gz JHWBKPOQBSMZOF-UHFFFAOYSA-N -1 3 352.354 2.632 20 5 FFBDHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589029724 1080314802 /nfs/dbraw/zinc/31/48/02/1080314802.db2.gz GGRRCQAQENTTFN-SNVBAGLBSA-N -1 3 371.328 2.761 20 5 FFBDHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589029724 1080314805 /nfs/dbraw/zinc/31/48/05/1080314805.db2.gz GGRRCQAQENTTFN-SNVBAGLBSA-N -1 3 371.328 2.761 20 5 FFBDHM CC(C)c1ccoc1C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589773032 1080728955 /nfs/dbraw/zinc/72/89/55/1080728955.db2.gz GQTTYLPSRYPUKE-UHFFFAOYSA-N -1 3 357.326 2.848 20 5 FFBDHM CC(C)c1ccoc1C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589773032 1080728961 /nfs/dbraw/zinc/72/89/61/1080728961.db2.gz GQTTYLPSRYPUKE-UHFFFAOYSA-N -1 3 357.326 2.848 20 5 FFBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1 ZINC001589845891 1080798236 /nfs/dbraw/zinc/79/82/36/1080798236.db2.gz AHMRSWWJWQDYOR-NSHDSACASA-N -1 3 353.386 2.597 20 5 FFBDHM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1 ZINC001589845891 1080798239 /nfs/dbraw/zinc/79/82/39/1080798239.db2.gz AHMRSWWJWQDYOR-NSHDSACASA-N -1 3 353.386 2.597 20 5 FFBDHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001589880897 1080828542 /nfs/dbraw/zinc/82/85/42/1080828542.db2.gz LLLQBYYDSGABGJ-QMMMGPOBSA-N -1 3 361.312 2.664 20 5 FFBDHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC001589880897 1080828544 /nfs/dbraw/zinc/82/85/44/1080828544.db2.gz LLLQBYYDSGABGJ-QMMMGPOBSA-N -1 3 361.312 2.664 20 5 FFBDHM C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001589965927 1080909289 /nfs/dbraw/zinc/90/92/89/1080909289.db2.gz SPFGDKQMAQJBQO-SECBINFHSA-N -1 3 360.324 2.904 20 5 FFBDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033117 1080958694 /nfs/dbraw/zinc/95/86/94/1080958694.db2.gz OVURLRPKBMMPKK-MRVPVSSYSA-N -1 3 351.388 2.597 20 5 FFBDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033117 1080958700 /nfs/dbraw/zinc/95/87/00/1080958700.db2.gz OVURLRPKBMMPKK-MRVPVSSYSA-N -1 3 351.388 2.597 20 5 FFBDHM C[C@@H](SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033036 1080959104 /nfs/dbraw/zinc/95/91/04/1080959104.db2.gz IKGWRUJQXHLFIF-SECBINFHSA-N -1 3 365.415 2.738 20 5 FFBDHM C[C@@H](SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033036 1080959108 /nfs/dbraw/zinc/95/91/08/1080959108.db2.gz IKGWRUJQXHLFIF-SECBINFHSA-N -1 3 365.415 2.738 20 5 FFBDHM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590239895 1081114102 /nfs/dbraw/zinc/11/41/02/1081114102.db2.gz NOJXTGGTHKHIKJ-LCSDZXHASA-N -1 3 372.429 2.541 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)N(C)c1ccccc1 ZINC000107524494 209276716 /nfs/dbraw/zinc/27/67/16/209276716.db2.gz DKEBCOGDWXPPRR-AWEZNQCLSA-N -1 3 363.439 2.706 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000192616680 251295580 /nfs/dbraw/zinc/29/55/80/251295580.db2.gz DAWBEFRTVDMULL-UWVGGRQHSA-N -1 3 352.334 2.994 20 5 FFBDHM O=C([O-])[C@H](CN1CCCCC1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000277319525 256184856 /nfs/dbraw/zinc/18/48/56/256184856.db2.gz NWAZXXFAYOKZPZ-INIZCTEOSA-N -1 3 373.409 2.884 20 5 FFBDHM O=C(Nc1ncc(C2(O)CCCCC2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290238405 257321740 /nfs/dbraw/zinc/32/17/40/257321740.db2.gz ULQUTCUPNLGDRQ-UHFFFAOYSA-N -1 3 364.383 2.556 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)c1ccccc1 ZINC000032405814 506249336 /nfs/dbraw/zinc/24/93/36/506249336.db2.gz XFORWMZEDYQQSP-LBPRGKRZSA-N -1 3 350.396 2.685 20 5 FFBDHM O=C(Nc1cccc(Cn2cccn2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000032469759 506256917 /nfs/dbraw/zinc/25/69/17/506256917.db2.gz IWJSXJGYHVTWSB-UHFFFAOYSA-N -1 3 362.349 2.968 20 5 FFBDHM COCCOc1ccc(F)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000066678443 506604418 /nfs/dbraw/zinc/60/44/18/506604418.db2.gz SRTWLNIBHNUQSD-UHFFFAOYSA-N -1 3 374.328 2.888 20 5 FFBDHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055242417 506707326 /nfs/dbraw/zinc/70/73/26/506707326.db2.gz DKVGZCCNGHRSRN-BXUZGUMPSA-N -1 3 360.407 2.608 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)c(F)cc1F ZINC000043494253 506751310 /nfs/dbraw/zinc/75/13/10/506751310.db2.gz NGJXKKMLAXGOOZ-UHFFFAOYSA-N -1 3 351.265 2.615 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)c(F)c1 ZINC000067433593 506878572 /nfs/dbraw/zinc/87/85/72/506878572.db2.gz KRFDDWRWISJLIV-GXTWGEPZSA-N -1 3 354.334 2.707 20 5 FFBDHM CCCCOCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055949571 506894486 /nfs/dbraw/zinc/89/44/86/506894486.db2.gz TYXLOVUKWDFJIX-UHFFFAOYSA-N -1 3 350.824 2.733 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1 ZINC000056118325 506939632 /nfs/dbraw/zinc/93/96/32/506939632.db2.gz RGNZBYHYMYAGMU-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c(F)c1 ZINC000068938429 507367079 /nfs/dbraw/zinc/36/70/79/507367079.db2.gz ZFFBCDHEGUCZEA-CYBMUJFWSA-N -1 3 370.333 2.675 20 5 FFBDHM Cc1cc(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1[N+](=O)[O-] ZINC000024521141 507418542 /nfs/dbraw/zinc/41/85/42/507418542.db2.gz VOGDKLRUXZPGRL-UHFFFAOYSA-N -1 3 364.379 2.536 20 5 FFBDHM COc1ccccc1-c1nc(NC(=O)Cc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000048012016 507434275 /nfs/dbraw/zinc/43/42/75/507434275.db2.gz ATONTKYXIKFYNZ-UHFFFAOYSA-N -1 3 353.338 2.570 20 5 FFBDHM COCCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000025310866 507488041 /nfs/dbraw/zinc/48/80/41/507488041.db2.gz CMCAQLGZTWBFEY-QGZVFWFLSA-N -1 3 373.365 2.522 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000025374977 507494863 /nfs/dbraw/zinc/49/48/63/507494863.db2.gz JPMPOSRASYVFPM-UWVGGRQHSA-N -1 3 352.334 2.994 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccccc2F)cc1C ZINC000060497517 507552337 /nfs/dbraw/zinc/55/23/37/507552337.db2.gz FHUKIWNZQVHXSP-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc2nc(C(F)(F)F)nn21 ZINC000060853130 507582189 /nfs/dbraw/zinc/58/21/89/507582189.db2.gz VMPIYNBRHWWDIQ-UHFFFAOYSA-N -1 3 372.288 2.674 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028055368 507706051 /nfs/dbraw/zinc/70/60/51/507706051.db2.gz KGUWBPLDSMSROF-UHFFFAOYSA-N -1 3 370.814 2.873 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)n1 ZINC000064341930 507791791 /nfs/dbraw/zinc/79/17/91/507791791.db2.gz XBSMROVZPNAMLB-UHFFFAOYSA-N -1 3 356.363 2.967 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000078705666 507898875 /nfs/dbraw/zinc/89/88/75/507898875.db2.gz SNDUZJWIOOEREL-ZDUSSCGKSA-N -1 3 350.396 2.649 20 5 FFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000080930227 508114360 /nfs/dbraw/zinc/11/43/60/508114360.db2.gz GDGDFKNZKUMDEQ-AWEZNQCLSA-N -1 3 355.394 2.819 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C2CCSCC2)cc1[N+](=O)[O-] ZINC000083989458 508262050 /nfs/dbraw/zinc/26/20/50/508262050.db2.gz PQMHFHKWTSKYDN-UHFFFAOYSA-N -1 3 350.849 2.731 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000105389908 508372030 /nfs/dbraw/zinc/37/20/30/508372030.db2.gz QFARXVYXZQLTIC-UHFFFAOYSA-N -1 3 362.285 2.822 20 5 FFBDHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000134169388 508502718 /nfs/dbraw/zinc/50/27/18/508502718.db2.gz OBFRGAQPMDTPJP-NSHDSACASA-N -1 3 366.370 2.674 20 5 FFBDHM COc1cc(C)cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000157097756 508522170 /nfs/dbraw/zinc/52/21/70/508522170.db2.gz MZFFSAXDCKDBLR-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM O=C(CCSc1n[n-]c(-c2ccccn2)n1)Nc1ccc([N+](=O)[O-])cc1 ZINC000117115452 508579652 /nfs/dbraw/zinc/57/96/52/508579652.db2.gz HXWYUJLTMCEMRF-UHFFFAOYSA-N -1 3 370.394 2.896 20 5 FFBDHM COC(=O)c1sc2[n-]c(Cc3ccc([N+](=O)[O-])c(C)c3)nc(=O)c2c1C ZINC000122996512 508620157 /nfs/dbraw/zinc/62/01/57/508620157.db2.gz SYGROMCCKNITDH-UHFFFAOYSA-N -1 3 373.390 2.887 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000129596067 508744201 /nfs/dbraw/zinc/74/42/01/508744201.db2.gz FDICIYHRMBLIJE-UHFFFAOYSA-N -1 3 363.420 2.824 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000124374808 508822882 /nfs/dbraw/zinc/82/28/82/508822882.db2.gz IVXYPKQBEKFLQN-GFCCVEGCSA-N -1 3 362.473 2.574 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)cc1[N+](=O)[O-] ZINC000124717249 508874088 /nfs/dbraw/zinc/87/40/88/508874088.db2.gz MAGMOERSNKOABE-JTQLQIEISA-N -1 3 357.457 2.603 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccccc3S(C)(=O)=O)c2)n1 ZINC000125118087 508933578 /nfs/dbraw/zinc/93/35/78/508933578.db2.gz VDKUQCYHFXUAHH-UHFFFAOYSA-N -1 3 373.394 2.631 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000151492996 509028630 /nfs/dbraw/zinc/02/86/30/509028630.db2.gz SCYFDWNWEAFOOU-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000125807718 509032418 /nfs/dbraw/zinc/03/24/18/509032418.db2.gz QAWCYMWQGMWFSD-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Br ZINC000185786929 509354777 /nfs/dbraw/zinc/35/47/77/509354777.db2.gz SVRVAKOALVSUOL-UHFFFAOYSA-N -1 3 368.143 2.719 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cccc(-c2nnco2)c1 ZINC000182739380 509402528 /nfs/dbraw/zinc/40/25/28/509402528.db2.gz BYWYZGRMQXBHCI-UHFFFAOYSA-N -1 3 374.378 2.629 20 5 FFBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164038796 509455829 /nfs/dbraw/zinc/45/58/29/509455829.db2.gz CPHPAOPIYDTSOV-KRWDZBQOSA-N -1 3 355.394 2.867 20 5 FFBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179638793 509548622 /nfs/dbraw/zinc/54/86/22/509548622.db2.gz NLTOQRDXEVBBMW-SECBINFHSA-N -1 3 363.757 2.711 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c(Cl)c1 ZINC000186172648 509558930 /nfs/dbraw/zinc/55/89/30/509558930.db2.gz RTUNPAQSIGQALC-LBPRGKRZSA-N -1 3 362.835 2.876 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000183286457 509698188 /nfs/dbraw/zinc/69/81/88/509698188.db2.gz PGLMRVZBRKZNGY-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM COc1cccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000189792244 509754729 /nfs/dbraw/zinc/75/47/29/509754729.db2.gz YHBWWZULXQALPG-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nc3ccccc3n2C)c1[N+](=O)[O-] ZINC000189809008 509763165 /nfs/dbraw/zinc/76/31/65/509763165.db2.gz FPNSRZJPZJSILC-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000170788569 509778399 /nfs/dbraw/zinc/77/83/99/509778399.db2.gz CZPRJLZDRCOKHT-CQSZACIVSA-N -1 3 364.423 2.903 20 5 FFBDHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000173801204 509785086 /nfs/dbraw/zinc/78/50/86/509785086.db2.gz UOIBETBCZYUCNS-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM Cc1ccccc1-c1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n(C)n1 ZINC000193115798 509785139 /nfs/dbraw/zinc/78/51/39/509785139.db2.gz PCSCAPORLZQHKT-UHFFFAOYSA-N -1 3 353.338 2.657 20 5 FFBDHM O=C(c1cccc([O-])c1)N1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255623483 509932102 /nfs/dbraw/zinc/93/21/02/509932102.db2.gz UPZLDCJXJUNRQC-DAXSKMNVSA-N -1 3 367.405 2.772 20 5 FFBDHM CCOc1cccc(NCCCNC(=O)c2cccc([O-])c2)c1[N+](=O)[O-] ZINC000184105417 510133270 /nfs/dbraw/zinc/13/32/70/510133270.db2.gz BMRFNFCBHBVQIJ-UHFFFAOYSA-N -1 3 359.382 2.931 20 5 FFBDHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174732346 510277180 /nfs/dbraw/zinc/27/71/80/510277180.db2.gz WCPVZGSCHPSGBB-UHFFFAOYSA-N -1 3 373.756 2.846 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000184906616 510576794 /nfs/dbraw/zinc/57/67/94/510576794.db2.gz QJPOWSULLWGXJP-UHFFFAOYSA-N -1 3 367.814 2.653 20 5 FFBDHM O=C(Nc1ccc(OC2COC2)cc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000188116316 510602463 /nfs/dbraw/zinc/60/24/63/510602463.db2.gz ODUGTKZICHDGRU-UHFFFAOYSA-N -1 3 354.322 2.501 20 5 FFBDHM CC[C@@H](C(=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000191398077 510641051 /nfs/dbraw/zinc/64/10/51/510641051.db2.gz JUALTXOGVMVUFR-NSHDSACASA-N -1 3 361.320 2.599 20 5 FFBDHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185035540 510647092 /nfs/dbraw/zinc/64/70/92/510647092.db2.gz CROIDYKVPZFROX-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000282411724 510966198 /nfs/dbraw/zinc/96/61/98/510966198.db2.gz SQFHBFRNHFDGTL-AWEZNQCLSA-N -1 3 354.428 2.531 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)cc1C ZINC000303028223 511724530 /nfs/dbraw/zinc/72/45/30/511724530.db2.gz OYSIDQKOXHJNRL-HNNXBMFYSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000327446958 511875699 /nfs/dbraw/zinc/87/56/99/511875699.db2.gz HWZWXENSRRQNNA-CYBMUJFWSA-N -1 3 372.443 2.548 20 5 FFBDHM CC1(C)CC(=O)c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2O1 ZINC000375921296 512570497 /nfs/dbraw/zinc/57/04/97/512570497.db2.gz IZBRZWOURVRTNP-UHFFFAOYSA-N -1 3 357.322 2.692 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1ncoc1-c1ccccc1 ZINC000368286772 512883497 /nfs/dbraw/zinc/88/34/97/512883497.db2.gz WVCBDUGJYJPHQH-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000374810578 513014844 /nfs/dbraw/zinc/01/48/44/513014844.db2.gz VZGJKBIUWNTGCS-SECBINFHSA-N -1 3 359.454 2.777 20 5 FFBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n(C2CCOCC2)n1 ZINC000434553607 513353628 /nfs/dbraw/zinc/35/36/28/513353628.db2.gz KHLJLXXSZQPCTJ-UHFFFAOYSA-N -1 3 370.369 2.580 20 5 FFBDHM CCN=c1[n-]c(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000429501762 513394251 /nfs/dbraw/zinc/39/42/51/513394251.db2.gz GLAIOZNWPWEVJP-UHFFFAOYSA-N -1 3 374.344 2.854 20 5 FFBDHM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cccc21 ZINC000447720347 513551825 /nfs/dbraw/zinc/55/18/25/513551825.db2.gz BJWAXTCWQUQPTF-OAHLLOKOSA-N -1 3 357.366 2.938 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000416418108 513762124 /nfs/dbraw/zinc/76/21/24/513762124.db2.gz OYPDCDWMOUUUQR-LLVKDONJSA-N -1 3 370.349 2.563 20 5 FFBDHM CC(C)c1[nH]nc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)c1[N+](=O)[O-] ZINC000448538110 513774936 /nfs/dbraw/zinc/77/49/36/513774936.db2.gz LSPXJDSFJAQMJJ-UHFFFAOYSA-N -1 3 359.317 2.910 20 5 FFBDHM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000448537496 513775132 /nfs/dbraw/zinc/77/51/32/513775132.db2.gz ISAAPAOSCWIVKH-UHFFFAOYSA-N -1 3 371.280 2.792 20 5 FFBDHM CSC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000416477371 513792146 /nfs/dbraw/zinc/79/21/46/513792146.db2.gz SIRHXEQOZZWYGG-UHFFFAOYSA-N -1 3 370.374 2.788 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)c1C ZINC000416500075 513804505 /nfs/dbraw/zinc/80/45/05/513804505.db2.gz BEFHIHXZXPTAMJ-ZDUSSCGKSA-N -1 3 356.444 2.695 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)c1C ZINC000416500073 513805008 /nfs/dbraw/zinc/80/50/08/513805008.db2.gz BEFHIHXZXPTAMJ-CYBMUJFWSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1F ZINC000416526992 513817892 /nfs/dbraw/zinc/81/78/92/513817892.db2.gz FBZDRCKEVDYRKK-GXTWGEPZSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC2CCOCC2)cc1C ZINC000451609141 513864437 /nfs/dbraw/zinc/86/44/37/513864437.db2.gz OWPVYDQPFDSUJS-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCC=C(C)C ZINC000451733952 513947131 /nfs/dbraw/zinc/94/71/31/513947131.db2.gz BBUFBJJAUVLVKV-LBPRGKRZSA-N -1 3 370.427 2.795 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1[N+](=O)[O-] ZINC000431642841 513955106 /nfs/dbraw/zinc/95/51/06/513955106.db2.gz IMQVJVYSTZKJLS-CQSZACIVSA-N -1 3 372.349 2.888 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])n1 ZINC000436766695 513972081 /nfs/dbraw/zinc/97/20/81/513972081.db2.gz SROWIWZAKOLPQI-UHFFFAOYSA-N -1 3 352.350 2.877 20 5 FFBDHM COC(=O)c1cccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1[O-] ZINC000436798959 513983838 /nfs/dbraw/zinc/98/38/38/513983838.db2.gz AIOBIPHKPLNMDO-UHFFFAOYSA-N -1 3 355.306 2.821 20 5 FFBDHM COc1ccc(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000443565987 513997917 /nfs/dbraw/zinc/99/79/17/513997917.db2.gz KJBMVJOAIZAINA-UHFFFAOYSA-N -1 3 368.349 2.962 20 5 FFBDHM COc1cc([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000414194370 514006552 /nfs/dbraw/zinc/00/65/52/514006552.db2.gz XZMHKYJDQJRGAP-INIZCTEOSA-N -1 3 363.414 2.708 20 5 FFBDHM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000451958824 514095441 /nfs/dbraw/zinc/09/54/41/514095441.db2.gz MMYWSNVSPUPPDX-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000414464410 514133479 /nfs/dbraw/zinc/13/34/79/514133479.db2.gz UJVDURHRUKTAIB-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM CN(C)Cc1ccc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000414476011 514142702 /nfs/dbraw/zinc/14/27/02/514142702.db2.gz WNVLMKMJTFGJSM-UHFFFAOYSA-N -1 3 367.402 2.737 20 5 FFBDHM COc1cc(CNc2cccc([C@H]3CCC(=O)N3)c2)c([N+](=O)[O-])cc1[O-] ZINC000414539334 514169629 /nfs/dbraw/zinc/16/96/29/514169629.db2.gz NDYZWLCBTUAPBX-CQSZACIVSA-N -1 3 357.366 2.872 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)c(F)c1 ZINC000420704595 514250691 /nfs/dbraw/zinc/25/06/91/514250691.db2.gz IXORJJOREPQZIB-JTQLQIEISA-N -1 3 360.432 2.546 20 5 FFBDHM NC(=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445244949 514449384 /nfs/dbraw/zinc/44/93/84/514449384.db2.gz ASSAIJTZTFJKFZ-UHFFFAOYSA-N -1 3 370.184 2.770 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c1C ZINC000461790898 514741155 /nfs/dbraw/zinc/74/11/55/514741155.db2.gz KEROQUDKTYRKQX-HNNXBMFYSA-N -1 3 370.471 2.679 20 5 FFBDHM CC(C)(O)COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000471097861 514751543 /nfs/dbraw/zinc/75/15/43/514751543.db2.gz KGQPLFXXDNMHAJ-UHFFFAOYSA-N -1 3 370.365 2.873 20 5 FFBDHM CNC(=O)c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000489225989 514760043 /nfs/dbraw/zinc/76/00/43/514760043.db2.gz SXSQOMZJCVSPEK-UHFFFAOYSA-N -1 3 373.756 2.736 20 5 FFBDHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466862673 514806204 /nfs/dbraw/zinc/80/62/04/514806204.db2.gz WGARPLVZPMZVMQ-GXTWGEPZSA-N -1 3 362.835 2.730 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462299751 514982334 /nfs/dbraw/zinc/98/23/34/514982334.db2.gz TYXIMSRGWQWHHN-LLVKDONJSA-N -1 3 370.333 2.675 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000467409384 514998628 /nfs/dbraw/zinc/99/86/28/514998628.db2.gz WSBVLWHOGLXQKL-QWRGUYRKSA-N -1 3 361.489 2.506 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)c1[N+](=O)[O-] ZINC000480706072 515053353 /nfs/dbraw/zinc/05/33/53/515053353.db2.gz OEMDNMZDHKJIQX-UHFFFAOYSA-N -1 3 374.422 2.609 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000462485644 515077539 /nfs/dbraw/zinc/07/75/39/515077539.db2.gz OEMCPCOZMGMABJ-DOMZBBRYSA-N -1 3 350.371 2.643 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000480862160 515114289 /nfs/dbraw/zinc/11/42/89/515114289.db2.gz BYKARYVUZOXCMO-MRXNPFEDSA-N -1 3 356.444 2.513 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccco1 ZINC000503774323 515140169 /nfs/dbraw/zinc/14/01/69/515140169.db2.gz ONXUNTBGMRWBKW-AWEZNQCLSA-N -1 3 368.411 2.861 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)c1[N+](=O)[O-] ZINC000481026027 515178652 /nfs/dbraw/zinc/17/86/52/515178652.db2.gz NSBVZTKFLVYNTP-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM COc1ccc(C)cc1CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499073072 515189859 /nfs/dbraw/zinc/18/98/59/515189859.db2.gz GTFKTCHNWWLQAU-UHFFFAOYSA-N -1 3 366.377 2.905 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CCO)c2ccccc2)c1[N+](=O)[O-] ZINC000481062894 515191364 /nfs/dbraw/zinc/19/13/64/515191364.db2.gz VQUNOISYWFXRAI-OAHLLOKOSA-N -1 3 364.423 2.614 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCc1ccc(C)o1 ZINC000462708492 515204454 /nfs/dbraw/zinc/20/44/54/515204454.db2.gz ZKIALTXAIUVKQX-NSHDSACASA-N -1 3 368.411 2.804 20 5 FFBDHM CC1CCC(C)([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000477006757 515287234 /nfs/dbraw/zinc/28/72/34/515287234.db2.gz MEKOMENBRPONSA-UHFFFAOYSA-N -1 3 370.427 2.613 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000462902789 515289971 /nfs/dbraw/zinc/28/99/71/515289971.db2.gz LWEWWSMVXUYCHH-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000462902789 515289982 /nfs/dbraw/zinc/28/99/82/515289982.db2.gz LWEWWSMVXUYCHH-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477151741 515349403 /nfs/dbraw/zinc/34/94/03/515349403.db2.gz QLONKJFXLBZVOX-UHFFFAOYSA-N -1 3 372.443 2.859 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000491609928 515461384 /nfs/dbraw/zinc/46/13/84/515461384.db2.gz MCFCVGRZFUFYGE-UHFFFAOYSA-N -1 3 360.407 2.990 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)(C)C ZINC000510566036 515588417 /nfs/dbraw/zinc/58/84/17/515588417.db2.gz PYCCMHZMGCCYJM-LLVKDONJSA-N -1 3 350.462 2.694 20 5 FFBDHM CN(Cc1ccccc1)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000482252924 515625679 /nfs/dbraw/zinc/62/56/79/515625679.db2.gz DDROTCYPBHAXBM-LJQANCHMSA-N -1 3 369.421 2.941 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC(C)(C)C1 ZINC000469168739 515702101 /nfs/dbraw/zinc/70/21/01/515702101.db2.gz OIIJQHKMRUIAFP-LLVKDONJSA-N -1 3 370.427 2.629 20 5 FFBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469167942 515702145 /nfs/dbraw/zinc/70/21/45/515702145.db2.gz XZPLVBXWGJPHQW-UHFFFAOYSA-N -1 3 358.416 2.629 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000511025033 515748928 /nfs/dbraw/zinc/74/89/28/515748928.db2.gz CYNIUJDBHHJCJS-NSHDSACASA-N -1 3 360.395 2.819 20 5 FFBDHM Cc1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(C2CC2)n1 ZINC000500542800 515762037 /nfs/dbraw/zinc/76/20/37/515762037.db2.gz AVWGAYRBDIKVRS-UHFFFAOYSA-N -1 3 362.411 2.555 20 5 FFBDHM Cc1ccc2c(c1)nc(C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])n2C ZINC000469417047 515807057 /nfs/dbraw/zinc/80/70/57/515807057.db2.gz YILWIDBFRWYODA-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000487373069 515840803 /nfs/dbraw/zinc/84/08/03/515840803.db2.gz BKRFCYNIBRGDPK-UHFFFAOYSA-N -1 3 364.301 2.994 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(Cc3ccccc3F)s2)n1 ZINC000497667716 516329764 /nfs/dbraw/zinc/32/97/64/516329764.db2.gz KADRRVSDLYRTNF-UHFFFAOYSA-N -1 3 361.358 2.767 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000512702396 516330397 /nfs/dbraw/zinc/33/03/97/516330397.db2.gz FKNGVYHPDQXDBD-BBRMVZONSA-N -1 3 355.394 2.866 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512763910 516350673 /nfs/dbraw/zinc/35/06/73/516350673.db2.gz XORADTZCLTUKPE-LLVKDONJSA-N -1 3 368.386 2.825 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccc2nsnc2c1 ZINC000539955260 516372105 /nfs/dbraw/zinc/37/21/05/516372105.db2.gz WMXUCTZAKXKPDA-UHFFFAOYSA-N -1 3 366.362 2.664 20 5 FFBDHM COc1ccc(-c2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000543717306 516388726 /nfs/dbraw/zinc/38/87/26/516388726.db2.gz KBBVMYDRWLUYAD-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000557853019 516471066 /nfs/dbraw/zinc/47/10/66/516471066.db2.gz VNONSGUFBZXUDN-UHFFFAOYSA-N -1 3 364.851 2.979 20 5 FFBDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000561559442 516652473 /nfs/dbraw/zinc/65/24/73/516652473.db2.gz KPHNFQIEPRKDBY-QFYYESIMSA-N -1 3 366.370 2.676 20 5 FFBDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000561559443 516652542 /nfs/dbraw/zinc/65/25/42/516652542.db2.gz KPHNFQIEPRKDBY-QLJPJBMISA-N -1 3 366.370 2.676 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1C ZINC000561560879 516653430 /nfs/dbraw/zinc/65/34/30/516653430.db2.gz SWPVJKQBXSNMQT-UHFFFAOYSA-N -1 3 352.334 2.831 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000561724816 516733022 /nfs/dbraw/zinc/73/30/22/516733022.db2.gz SBQDRDOXUHBAPA-CLAHSXSESA-N -1 3 354.409 2.765 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000524834128 516842846 /nfs/dbraw/zinc/84/28/46/516842846.db2.gz KNQHUMNRSXNTAP-UHFFFAOYSA-N -1 3 373.369 2.630 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000524834128 516842852 /nfs/dbraw/zinc/84/28/52/516842852.db2.gz KNQHUMNRSXNTAP-UHFFFAOYSA-N -1 3 373.369 2.630 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000514524174 516935358 /nfs/dbraw/zinc/93/53/58/516935358.db2.gz SPOFGWYRAGKMSP-OAHLLOKOSA-N -1 3 362.407 2.959 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000562295192 517012370 /nfs/dbraw/zinc/01/23/70/517012370.db2.gz RWKUQBZXGYSBFG-UHFFFAOYSA-N -1 3 351.366 2.861 20 5 FFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000559139597 517094231 /nfs/dbraw/zinc/09/42/31/517094231.db2.gz FLOQUMVPGNJONS-SSDOTTSWSA-N -1 3 369.212 2.692 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2[C@H](C)CCC[C@H]2C)cc1C ZINC000552883159 517427174 /nfs/dbraw/zinc/42/71/74/517427174.db2.gz RBMOIROKOFJXGV-HUUCEWRRSA-N -1 3 369.487 2.753 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCc2cccc(O)c21 ZINC000562864540 517463921 /nfs/dbraw/zinc/46/39/21/517463921.db2.gz PAUCBHNNVQAEJE-AWEZNQCLSA-N -1 3 364.361 2.781 20 5 FFBDHM Cc1ccccc1[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000533553389 517521122 /nfs/dbraw/zinc/52/11/22/517521122.db2.gz FIUBPXUHNLJPEC-CQSZACIVSA-N -1 3 370.814 2.569 20 5 FFBDHM COc1cc(OCC(=O)Nc2ccc(Cl)cc2[O-])ccc1[N+](=O)[O-] ZINC000533618475 517549197 /nfs/dbraw/zinc/54/91/97/517549197.db2.gz MZDAPUMPFOQDCS-UHFFFAOYSA-N -1 3 352.730 2.980 20 5 FFBDHM CN(C)c1n[nH]c([N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000553187484 517566776 /nfs/dbraw/zinc/56/67/76/517566776.db2.gz UBVKWUGTKDCZMF-UHFFFAOYSA-N -1 3 368.353 2.824 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c(F)c1 ZINC000533913351 517665355 /nfs/dbraw/zinc/66/53/55/517665355.db2.gz AFRDSJMAOQMAJY-OAHLLOKOSA-N -1 3 351.359 2.559 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccco1 ZINC000542759591 517721395 /nfs/dbraw/zinc/72/13/95/517721395.db2.gz BYTCPRXBGWXJGE-CYBMUJFWSA-N -1 3 368.411 2.861 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c(Cl)c1 ZINC000543168042 517943295 /nfs/dbraw/zinc/94/32/95/517943295.db2.gz YODPSSOJLMTKLV-JTQLQIEISA-N -1 3 350.849 2.812 20 5 FFBDHM CC[C@H](C)n1nc([N-]c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1C ZINC000539392859 518025031 /nfs/dbraw/zinc/02/50/31/518025031.db2.gz IEEJHLGOROBTNC-JTQLQIEISA-N -1 3 352.416 2.640 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000517372682 518131640 /nfs/dbraw/zinc/13/16/40/518131640.db2.gz AGADBPFTAJHYFK-UHFFFAOYSA-N -1 3 372.349 2.539 20 5 FFBDHM CCN(C[C@H]1CCCN1CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000584413429 518330334 /nfs/dbraw/zinc/33/03/34/518330334.db2.gz ZCEAUCOLWUISQI-GFCCVEGCSA-N -1 3 355.822 2.900 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2ccc3c[nH]nc3c2)c1[N+](=O)[O-] ZINC000585739804 518581000 /nfs/dbraw/zinc/58/10/00/518581000.db2.gz KXPWHNUEYFDCNE-UHFFFAOYSA-N -1 3 374.422 2.609 20 5 FFBDHM CCc1ccc([C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1 ZINC000571169022 518960797 /nfs/dbraw/zinc/96/07/97/518960797.db2.gz HNKIVDRZBDAPNI-INIZCTEOSA-N -1 3 358.398 2.965 20 5 FFBDHM COc1cc(CN(CC(=O)[O-])CC(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000580319523 519117115 /nfs/dbraw/zinc/11/71/15/519117115.db2.gz OJEISYZQSVNWNO-UHFFFAOYSA-N -1 3 362.329 2.747 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000590590674 519278088 /nfs/dbraw/zinc/27/80/88/519278088.db2.gz JCRKBIVKMVHRHF-HNNXBMFYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594473615 519983840 /nfs/dbraw/zinc/98/38/40/519983840.db2.gz NLLRZUNZDJYFQM-TZMCWYRMSA-N -1 3 360.457 2.591 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594488861 519999248 /nfs/dbraw/zinc/99/92/48/519999248.db2.gz WMBQNHKJTWMWFY-UKRRQHHQSA-N -1 3 356.444 2.838 20 5 FFBDHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594771642 520147821 /nfs/dbraw/zinc/14/78/21/520147821.db2.gz JEOQXGGSXJVKHP-UHFFFAOYSA-N -1 3 367.427 2.627 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1F ZINC000594784356 520156453 /nfs/dbraw/zinc/15/64/53/520156453.db2.gz UPZISFSKXBNEGK-DGCLKSJQSA-N -1 3 353.375 2.702 20 5 FFBDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594802591 520166043 /nfs/dbraw/zinc/16/60/43/520166043.db2.gz YDRVQSGXPZZXGS-NSHDSACASA-N -1 3 362.835 2.732 20 5 FFBDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594858619 520194130 /nfs/dbraw/zinc/19/41/30/520194130.db2.gz UAPODSRCNAURKF-NSHDSACASA-N -1 3 354.762 2.962 20 5 FFBDHM COC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(OC(F)F)c1 ZINC000609510695 520337249 /nfs/dbraw/zinc/33/72/49/520337249.db2.gz MAVDXJWNURVRSG-UHFFFAOYSA-N -1 3 356.237 2.828 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N(C)c1ccccc1 ZINC000603956458 520414554 /nfs/dbraw/zinc/41/45/54/520414554.db2.gz OPIAJWVXLNNNEP-LBPRGKRZSA-N -1 3 367.402 2.537 20 5 FFBDHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000604042861 520435095 /nfs/dbraw/zinc/43/50/95/520435095.db2.gz YKBFIDBJSIREDW-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000604042174 520435111 /nfs/dbraw/zinc/43/51/11/520435111.db2.gz MCYBYLOFYWLONE-NSHDSACASA-N -1 3 366.395 2.652 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)O)c1C ZINC000595409537 520451168 /nfs/dbraw/zinc/45/11/68/520451168.db2.gz UERYZPWGYHPYBP-CJNGLKHVSA-N -1 3 364.423 2.612 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1[N+](=O)[O-] ZINC000609986793 520497808 /nfs/dbraw/zinc/49/78/08/520497808.db2.gz DJRZWTXWTQGUHM-UHFFFAOYSA-N -1 3 361.333 2.547 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000613475880 520522063 /nfs/dbraw/zinc/52/20/63/520522063.db2.gz ZLHAXFOZLOGTGZ-HIFRSBDPSA-N -1 3 352.437 2.973 20 5 FFBDHM CC(C)(C)Oc1cc(N2CCN(C(C)(C)C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000592980415 520667972 /nfs/dbraw/zinc/66/79/72/520667972.db2.gz CDPILKWURLDIIT-UHFFFAOYSA-N -1 3 365.430 2.757 20 5 FFBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598612146 520741563 /nfs/dbraw/zinc/74/15/63/520741563.db2.gz SAWHTMMBDYWOND-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601374926 520762337 /nfs/dbraw/zinc/76/23/37/520762337.db2.gz BGSYVCLXEYWMRF-UHFFFAOYSA-N -1 3 362.473 2.979 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000601454182 520793376 /nfs/dbraw/zinc/79/33/76/520793376.db2.gz XGKXXXSMINMHTA-MRXNPFEDSA-N -1 3 372.418 2.526 20 5 FFBDHM CC(C)n1cnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000593232332 520845671 /nfs/dbraw/zinc/84/56/71/520845671.db2.gz NYLCTUVUNKCCSK-UHFFFAOYSA-N -1 3 354.164 2.782 20 5 FFBDHM O=c1[nH]c2c(cc1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])CCCC2 ZINC000593285704 520881814 /nfs/dbraw/zinc/88/18/14/520881814.db2.gz SWRVWGAKGSLHGL-UHFFFAOYSA-N -1 3 363.395 2.516 20 5 FFBDHM CCOC(=O)c1nnc([N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)s1 ZINC000610894485 520896400 /nfs/dbraw/zinc/89/64/00/520896400.db2.gz QKGJBDCAZSLOGX-UHFFFAOYSA-N -1 3 368.396 2.597 20 5 FFBDHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000598902562 520910452 /nfs/dbraw/zinc/91/04/52/520910452.db2.gz OOKMKWDRQDZKAC-UHFFFAOYSA-N -1 3 367.283 2.913 20 5 FFBDHM CN(Cc1cc2c(cc1OC(F)F)OCO2)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596137917 520933926 /nfs/dbraw/zinc/93/39/26/520933926.db2.gz YKZXOQQOZZTHGB-UHFFFAOYSA-N -1 3 369.280 2.662 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CCC1 ZINC000611117532 520993529 /nfs/dbraw/zinc/99/35/29/520993529.db2.gz SOIHESLOHQBHFB-QMMMGPOBSA-N -1 3 363.233 2.824 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cc(F)cc32)nc1 ZINC000593605106 521103210 /nfs/dbraw/zinc/10/32/10/521103210.db2.gz WWBOPDNCUFSQKC-AWEZNQCLSA-N -1 3 369.349 2.624 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC000614856962 521170052 /nfs/dbraw/zinc/17/00/52/521170052.db2.gz UHMDCBNULJMESK-UHFFFAOYSA-N -1 3 356.322 2.613 20 5 FFBDHM O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555623 521217209 /nfs/dbraw/zinc/21/72/09/521217209.db2.gz KHQGRHJKSNKFOF-MRXNPFEDSA-N -1 3 369.421 2.942 20 5 FFBDHM O=C(COc1ccc(O)cc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000473909948 561060521 /nfs/dbraw/zinc/06/05/21/561060521.db2.gz DDMWAZPNIGSVPM-UHFFFAOYSA-N -1 3 354.322 2.708 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823634931 599049272 /nfs/dbraw/zinc/04/92/72/599049272.db2.gz ONBZHQOWZVNWHS-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820274906 599058964 /nfs/dbraw/zinc/05/89/64/599058964.db2.gz LYJNXIWJVTYMQI-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC000820274906 599058968 /nfs/dbraw/zinc/05/89/68/599058968.db2.gz LYJNXIWJVTYMQI-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM CCc1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736692698 599157280 /nfs/dbraw/zinc/15/72/80/599157280.db2.gz WMFXWIYDYVFUJJ-NTMALXAHSA-N -1 3 365.349 2.956 20 5 FFBDHM CCc1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736692698 599157281 /nfs/dbraw/zinc/15/72/81/599157281.db2.gz WMFXWIYDYVFUJJ-NTMALXAHSA-N -1 3 365.349 2.956 20 5 FFBDHM CCc1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736692697 599157286 /nfs/dbraw/zinc/15/72/86/599157286.db2.gz WMFXWIYDYVFUJJ-CSKARUKUSA-N -1 3 365.349 2.956 20 5 FFBDHM CCc1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736692697 599157287 /nfs/dbraw/zinc/15/72/87/599157287.db2.gz WMFXWIYDYVFUJJ-CSKARUKUSA-N -1 3 365.349 2.956 20 5 FFBDHM C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820404455 599238261 /nfs/dbraw/zinc/23/82/61/599238261.db2.gz VPMKZQVJSJJOOJ-JTQLQIEISA-N -1 3 369.410 2.823 20 5 FFBDHM C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820404455 599238263 /nfs/dbraw/zinc/23/82/63/599238263.db2.gz VPMKZQVJSJJOOJ-JTQLQIEISA-N -1 3 369.410 2.823 20 5 FFBDHM Cc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cccc1-c1nnn[n-]1 ZINC000822065953 607270614 /nfs/dbraw/zinc/27/06/14/607270614.db2.gz BXNDXYIROUKIKG-UHFFFAOYSA-N -1 3 367.369 2.524 20 5 FFBDHM Cc1c(NC(=O)CCNc2ccccc2[N+](=O)[O-])cccc1-c1nn[n-]n1 ZINC000822065953 607270615 /nfs/dbraw/zinc/27/06/15/607270615.db2.gz BXNDXYIROUKIKG-UHFFFAOYSA-N -1 3 367.369 2.524 20 5 FFBDHM Cc1nn(CCOc2cccc(-c3nnn[n-]3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822500805 607304749 /nfs/dbraw/zinc/30/47/49/607304749.db2.gz HUMXILVQAFJBIM-UHFFFAOYSA-N -1 3 365.353 2.512 20 5 FFBDHM Cc1nn(CCOc2cccc(-c3nn[n-]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000822500805 607304750 /nfs/dbraw/zinc/30/47/50/607304750.db2.gz HUMXILVQAFJBIM-UHFFFAOYSA-N -1 3 365.353 2.512 20 5 FFBDHM CN(Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821616886 607348094 /nfs/dbraw/zinc/34/80/94/607348094.db2.gz METYIKWNWBQMSB-UHFFFAOYSA-N -1 3 371.426 2.747 20 5 FFBDHM CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000736645457 598362621 /nfs/dbraw/zinc/36/26/21/598362621.db2.gz YEHPMLDOLWFIKY-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000736645457 598362623 /nfs/dbraw/zinc/36/26/23/598362623.db2.gz YEHPMLDOLWFIKY-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(c3ccc(Cl)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738373754 598460204 /nfs/dbraw/zinc/46/02/04/598460204.db2.gz GSWQFOMAEYWGHK-UHFFFAOYSA-N -1 3 371.788 2.967 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(c3ccc(Cl)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738373754 598460205 /nfs/dbraw/zinc/46/02/05/598460205.db2.gz GSWQFOMAEYWGHK-UHFFFAOYSA-N -1 3 371.788 2.967 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCOc2ccc(F)cc21 ZINC000738360771 598592725 /nfs/dbraw/zinc/59/27/25/598592725.db2.gz YOLDHBOIRDDMMV-GFCCVEGCSA-N -1 3 356.317 2.850 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCOc2ccc(F)cc21 ZINC000738360771 598592726 /nfs/dbraw/zinc/59/27/26/598592726.db2.gz YOLDHBOIRDDMMV-GFCCVEGCSA-N -1 3 356.317 2.850 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736116810 598628561 /nfs/dbraw/zinc/62/85/61/598628561.db2.gz NALZEHBVXFFTNL-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000736116810 598628562 /nfs/dbraw/zinc/62/85/62/598628562.db2.gz NALZEHBVXFFTNL-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738368001 598797949 /nfs/dbraw/zinc/79/79/49/598797949.db2.gz BGOJXLRHECNEBB-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738368001 598797951 /nfs/dbraw/zinc/79/79/51/598797951.db2.gz BGOJXLRHECNEBB-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000826252214 607383472 /nfs/dbraw/zinc/38/34/72/607383472.db2.gz UOELSOOLAGQFKB-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000826252214 607383473 /nfs/dbraw/zinc/38/34/73/607383473.db2.gz UOELSOOLAGQFKB-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM CC[C@H](C)[C@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859694 599551990 /nfs/dbraw/zinc/55/19/90/599551990.db2.gz GPQMCMCPUBFZKM-DYZYQPBXSA-N -1 3 371.401 2.532 20 5 FFBDHM CC[C@H](C)[C@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859694 599551992 /nfs/dbraw/zinc/55/19/92/599551992.db2.gz GPQMCMCPUBFZKM-DYZYQPBXSA-N -1 3 371.401 2.532 20 5 FFBDHM C[C@H](O)CC(C)(C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820475053 599584852 /nfs/dbraw/zinc/58/48/52/599584852.db2.gz XPXPZNSSHSNLCW-JTQLQIEISA-N -1 3 371.401 2.532 20 5 FFBDHM C[C@H](O)CC(C)(C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820475053 599584854 /nfs/dbraw/zinc/58/48/54/599584854.db2.gz XPXPZNSSHSNLCW-JTQLQIEISA-N -1 3 371.401 2.532 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822271097 599667419 /nfs/dbraw/zinc/66/74/19/599667419.db2.gz MGAMGMCJCVCROC-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822271097 599667420 /nfs/dbraw/zinc/66/74/20/599667420.db2.gz MGAMGMCJCVCROC-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832932303 601148316 /nfs/dbraw/zinc/14/83/16/601148316.db2.gz RYKFKLARGVKPOL-UHFFFAOYSA-N -1 3 357.366 2.915 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1cccc(O)c1)CC1CC1 ZINC000823629603 607495276 /nfs/dbraw/zinc/49/52/76/607495276.db2.gz BJOYMNJRVCDEQE-UHFFFAOYSA-N -1 3 366.381 2.897 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1cccc(O)c1)CC1CC1 ZINC000823629603 607495279 /nfs/dbraw/zinc/49/52/79/607495279.db2.gz BJOYMNJRVCDEQE-UHFFFAOYSA-N -1 3 366.381 2.897 20 5 FFBDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000826044287 601656187 /nfs/dbraw/zinc/65/61/87/601656187.db2.gz DMMFUSUXMPTDIS-UGSOOPFHSA-N -1 3 371.393 2.609 20 5 FFBDHM CCO[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)C1CCCC1 ZINC000821350753 606143576 /nfs/dbraw/zinc/14/35/76/606143576.db2.gz CJTKGYWOPHGZLL-CQSZACIVSA-N -1 3 361.406 2.567 20 5 FFBDHM CCO[C@H](CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)C1CCCC1 ZINC000821350753 606143578 /nfs/dbraw/zinc/14/35/78/606143578.db2.gz CJTKGYWOPHGZLL-CQSZACIVSA-N -1 3 361.406 2.567 20 5 FFBDHM O=[N+]([O-])c1ccc2oc(CSc3ccc(-c4nnn[n-]4)cn3)nc2c1 ZINC000823644711 606311841 /nfs/dbraw/zinc/31/18/41/606311841.db2.gz KQYYMHJVVQZHGW-UHFFFAOYSA-N -1 3 355.339 2.603 20 5 FFBDHM O=[N+]([O-])c1ccc2oc(CSc3ccc(-c4nn[n-]n4)cn3)nc2c1 ZINC000823644711 606311842 /nfs/dbraw/zinc/31/18/42/606311842.db2.gz KQYYMHJVVQZHGW-UHFFFAOYSA-N -1 3 355.339 2.603 20 5 FFBDHM CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821613495 606315854 /nfs/dbraw/zinc/31/58/54/606315854.db2.gz PSYSUSFFZBDBBG-UHFFFAOYSA-N -1 3 365.353 2.548 20 5 FFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(C)c1 ZINC000820907066 606427222 /nfs/dbraw/zinc/42/72/22/606427222.db2.gz AMWRGEBKIISAOQ-CYBMUJFWSA-N -1 3 369.385 2.748 20 5 FFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(C)c1 ZINC000820907066 606427224 /nfs/dbraw/zinc/42/72/24/606427224.db2.gz AMWRGEBKIISAOQ-CYBMUJFWSA-N -1 3 369.385 2.748 20 5 FFBDHM C[C@@H]1CO[C@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820803704 606475164 /nfs/dbraw/zinc/47/51/64/606475164.db2.gz GBWKRTDXDGUNJU-PXAZEXFGSA-N -1 3 366.381 2.741 20 5 FFBDHM C[C@@H]1CO[C@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820803704 606475166 /nfs/dbraw/zinc/47/51/66/606475166.db2.gz GBWKRTDXDGUNJU-PXAZEXFGSA-N -1 3 366.381 2.741 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000823644681 606838444 /nfs/dbraw/zinc/83/84/44/606838444.db2.gz KHDJRFQUGRPIBE-UHFFFAOYSA-N -1 3 359.317 2.762 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000823644681 606838447 /nfs/dbraw/zinc/83/84/47/606838447.db2.gz KHDJRFQUGRPIBE-UHFFFAOYSA-N -1 3 359.317 2.762 20 5 FFBDHM C[C@@H](Cc1ccc(O)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820299869 606908679 /nfs/dbraw/zinc/90/86/79/606908679.db2.gz LYHXQZIKEPJBMJ-NSHDSACASA-N -1 3 354.370 2.548 20 5 FFBDHM C[C@@H](Cc1ccc(O)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820299869 606908680 /nfs/dbraw/zinc/90/86/80/606908680.db2.gz LYHXQZIKEPJBMJ-NSHDSACASA-N -1 3 354.370 2.548 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000823630511 606921398 /nfs/dbraw/zinc/92/13/98/606921398.db2.gz ZBEWSNRNQDIKNV-UHFFFAOYSA-N -1 3 372.335 2.732 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000823630511 606921400 /nfs/dbraw/zinc/92/14/00/606921400.db2.gz ZBEWSNRNQDIKNV-UHFFFAOYSA-N -1 3 372.335 2.732 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820232455 606943926 /nfs/dbraw/zinc/94/39/26/606943926.db2.gz GGSFRGWNCYOHNR-BDJLRTHQSA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820232455 606943928 /nfs/dbraw/zinc/94/39/28/606943928.db2.gz GGSFRGWNCYOHNR-BDJLRTHQSA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820236152 606946316 /nfs/dbraw/zinc/94/63/16/606946316.db2.gz YJRKMMMYEVMKEX-BDJLRTHQSA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@H](C[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820236152 606946317 /nfs/dbraw/zinc/94/63/17/606946317.db2.gz YJRKMMMYEVMKEX-BDJLRTHQSA-N -1 3 354.370 2.699 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820232511 607041473 /nfs/dbraw/zinc/04/14/73/607041473.db2.gz GOOWZCODYAVFPZ-QFYYESIMSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820232511 607041474 /nfs/dbraw/zinc/04/14/74/607041474.db2.gz GOOWZCODYAVFPZ-QFYYESIMSA-N -1 3 372.360 2.838 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000821304231 607100552 /nfs/dbraw/zinc/10/05/52/607100552.db2.gz BTJMFOVFGHRDDX-UHFFFAOYSA-N -1 3 371.332 2.598 20 5 FFBDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820549709 607162352 /nfs/dbraw/zinc/16/23/52/607162352.db2.gz QMLOMBSTIQXKSG-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820549709 607162354 /nfs/dbraw/zinc/16/23/54/607162354.db2.gz QMLOMBSTIQXKSG-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823451588 607245872 /nfs/dbraw/zinc/24/58/72/607245872.db2.gz WHQRTOJAEZTHMH-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823451588 607245873 /nfs/dbraw/zinc/24/58/73/607245873.db2.gz WHQRTOJAEZTHMH-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC000826500270 607937695 /nfs/dbraw/zinc/93/76/95/607937695.db2.gz RDXSPLRSMFAHKP-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC000826500270 607937696 /nfs/dbraw/zinc/93/76/96/607937696.db2.gz RDXSPLRSMFAHKP-UHFFFAOYSA-N -1 3 356.773 2.991 20 5 FFBDHM C[C@@H](N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1(C)CC1 ZINC000824465284 608123575 /nfs/dbraw/zinc/12/35/75/608123575.db2.gz NTLHQJZIXWZXTP-SNVBAGLBSA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@@H](N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1(C)CC1 ZINC000824465284 608123576 /nfs/dbraw/zinc/12/35/76/608123576.db2.gz NTLHQJZIXWZXTP-SNVBAGLBSA-N -1 3 353.386 2.948 20 5 FFBDHM Cc1cc(C)c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826263235 608160735 /nfs/dbraw/zinc/16/07/35/608160735.db2.gz RAJNITOMDQEZMY-UHFFFAOYSA-N -1 3 362.733 2.890 20 5 FFBDHM Cc1cc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826263235 608160736 /nfs/dbraw/zinc/16/07/36/608160736.db2.gz RAJNITOMDQEZMY-UHFFFAOYSA-N -1 3 362.733 2.890 20 5 FFBDHM C[C@H]1C[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884525 608195348 /nfs/dbraw/zinc/19/53/48/608195348.db2.gz OCJRNJZWUOZBDN-QWRGUYRKSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@H]1C[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884525 608195349 /nfs/dbraw/zinc/19/53/49/608195349.db2.gz OCJRNJZWUOZBDN-QWRGUYRKSA-N -1 3 369.385 2.550 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825985925 608221637 /nfs/dbraw/zinc/22/16/37/608221637.db2.gz GCCPXIXXETUKDX-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825985925 608221639 /nfs/dbraw/zinc/22/16/39/608221639.db2.gz GCCPXIXXETUKDX-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1 ZINC000826499111 608411102 /nfs/dbraw/zinc/41/11/02/608411102.db2.gz WFWBWMHKCZMWSE-UHFFFAOYSA-N -1 3 362.353 2.777 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1 ZINC000826499111 608411103 /nfs/dbraw/zinc/41/11/03/608411103.db2.gz WFWBWMHKCZMWSE-UHFFFAOYSA-N -1 3 362.353 2.777 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824479402 608433033 /nfs/dbraw/zinc/43/30/33/608433033.db2.gz MZEZDHVCEVUUKU-NLYDNYMLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824479402 608433034 /nfs/dbraw/zinc/43/30/34/608433034.db2.gz MZEZDHVCEVUUKU-NLYDNYMLSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633978 608464335 /nfs/dbraw/zinc/46/43/35/608464335.db2.gz SJBWJVLIVDZSKP-JTQLQIEISA-N -1 3 365.353 2.767 20 5 FFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826457271 609303688 /nfs/dbraw/zinc/30/36/88/609303688.db2.gz UOJYBZPXPMDSLD-UHFFFAOYSA-N -1 3 360.280 2.505 20 5 FFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000826457271 609303689 /nfs/dbraw/zinc/30/36/89/609303689.db2.gz UOJYBZPXPMDSLD-UHFFFAOYSA-N -1 3 360.280 2.505 20 5 FFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1sccc1-c1nnn[n-]1 ZINC000826465794 609340684 /nfs/dbraw/zinc/34/06/84/609340684.db2.gz COECMPGYHFRCCH-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM C[C@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824929470 609509430 /nfs/dbraw/zinc/50/94/30/609509430.db2.gz XVWPNNVBBXCJSO-CBAPKCEASA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824929470 609509433 /nfs/dbraw/zinc/50/94/33/609509433.db2.gz XVWPNNVBBXCJSO-CBAPKCEASA-N -1 3 350.766 2.803 20 5 FFBDHM Cc1ccnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1-c1nnn[n-]1 ZINC000826309202 609578522 /nfs/dbraw/zinc/57/85/22/609578522.db2.gz HGZBPFVVCNYNAS-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM Cc1ccnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1-c1nn[n-]n1 ZINC000826309202 609578524 /nfs/dbraw/zinc/57/85/24/609578524.db2.gz HGZBPFVVCNYNAS-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM Cc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nn1[C@H](C)C1CC1 ZINC000826271560 609587595 /nfs/dbraw/zinc/58/75/95/609587595.db2.gz XCNSYMYFLXWQAT-SNVBAGLBSA-N -1 3 354.374 2.994 20 5 FFBDHM Cc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nn1[C@H](C)C1CC1 ZINC000826271560 609587598 /nfs/dbraw/zinc/58/75/98/609587598.db2.gz XCNSYMYFLXWQAT-SNVBAGLBSA-N -1 3 354.374 2.994 20 5 FFBDHM CO[C@@H]1Cc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2C1 ZINC000826147011 609592748 /nfs/dbraw/zinc/59/27/48/609592748.db2.gz LBAPAVSYBDEKRI-CQSZACIVSA-N -1 3 352.354 2.632 20 5 FFBDHM CO[C@@H]1Cc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2C1 ZINC000826147011 609592750 /nfs/dbraw/zinc/59/27/50/609592750.db2.gz LBAPAVSYBDEKRI-CQSZACIVSA-N -1 3 352.354 2.632 20 5 FFBDHM CO[C@H]1Cc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc2C1 ZINC000826147010 609592921 /nfs/dbraw/zinc/59/29/21/609592921.db2.gz LBAPAVSYBDEKRI-AWEZNQCLSA-N -1 3 352.354 2.632 20 5 FFBDHM CO[C@H]1Cc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc2C1 ZINC000826147010 609592925 /nfs/dbraw/zinc/59/29/25/609592925.db2.gz LBAPAVSYBDEKRI-AWEZNQCLSA-N -1 3 352.354 2.632 20 5 FFBDHM Cc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000093906529 728478407 /nfs/dbraw/zinc/47/84/07/728478407.db2.gz RGMMGWZMVOEYTK-UHFFFAOYSA-N -1 3 365.367 2.796 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1cnsn1 ZINC000129539101 728711929 /nfs/dbraw/zinc/71/19/29/728711929.db2.gz GEPUNFPATAYVKN-UHFFFAOYSA-N -1 3 354.347 2.930 20 5 FFBDHM O=Cc1ccc(OC(F)(F)C(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000731614188 734687714 /nfs/dbraw/zinc/68/77/14/734687714.db2.gz URQGQXTUTCQNOO-UHFFFAOYSA-N -1 3 350.277 2.695 20 5 FFBDHM Cc1nc(C)c(CC(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000741441032 735143022 /nfs/dbraw/zinc/14/30/22/735143022.db2.gz SNZSTJUGSZGZCQ-UHFFFAOYSA-N -1 3 351.746 2.647 20 5 FFBDHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000742328313 735228228 /nfs/dbraw/zinc/22/82/28/735228228.db2.gz JXNWAZLDLDHGKQ-WPRPVWTQSA-N -1 3 350.849 2.811 20 5 FFBDHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000901522366 735789888 /nfs/dbraw/zinc/78/98/88/735789888.db2.gz JZQLJSLKULCYHI-ZBEGNZNMSA-N -1 3 356.325 2.883 20 5 FFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cs1 ZINC000768861513 737467991 /nfs/dbraw/zinc/46/79/91/737467991.db2.gz KOXYUDFJGSSRMH-UHFFFAOYSA-N -1 3 362.772 2.839 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000928979920 738928457 /nfs/dbraw/zinc/92/84/57/738928457.db2.gz DZPSCZMRVKVHDE-NSHDSACASA-N -1 3 364.379 2.884 20 5 FFBDHM O=C([N-]OC/C=C/Cl)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000794291131 739872350 /nfs/dbraw/zinc/87/23/50/739872350.db2.gz RMYXIESSWZSQHM-OWOJBTEDSA-N -1 3 353.531 2.910 20 5 FFBDHM CC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000843722358 747882103 /nfs/dbraw/zinc/88/21/03/747882103.db2.gz YZQGNXIKSBZDNO-LBPRGKRZSA-N -1 3 358.341 2.923 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000849463583 749167412 /nfs/dbraw/zinc/16/74/12/749167412.db2.gz JDZWJKRQJGGTDV-LLVKDONJSA-N -1 3 363.233 2.824 20 5 FFBDHM CCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821475938 945705579 /nfs/dbraw/zinc/70/55/79/945705579.db2.gz DRHUYIJMARSXSK-LLVKDONJSA-N -1 3 366.381 2.828 20 5 FFBDHM CCc1ccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821475938 945705588 /nfs/dbraw/zinc/70/55/88/945705588.db2.gz DRHUYIJMARSXSK-LLVKDONJSA-N -1 3 366.381 2.828 20 5 FFBDHM CC(=O)c1ccc(CCNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001573556548 946929529 /nfs/dbraw/zinc/92/95/29/946929529.db2.gz RUBFLIPGWIVRME-UHFFFAOYSA-N -1 3 366.381 2.941 20 5 FFBDHM CC(=O)c1ccc(CCNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001573556548 946929532 /nfs/dbraw/zinc/92/95/32/946929532.db2.gz RUBFLIPGWIVRME-UHFFFAOYSA-N -1 3 366.381 2.941 20 5 FFBDHM CCc1cc(=O)[n-]c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000121579244 979059676 /nfs/dbraw/zinc/05/96/76/979059676.db2.gz ZIRSGYRYVUNBOB-UHFFFAOYSA-N -1 3 358.398 2.696 20 5 FFBDHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001599890782 984690993 /nfs/dbraw/zinc/69/09/93/984690993.db2.gz DGNUXHMJVVQIFW-CYBMUJFWSA-N -1 3 371.393 2.543 20 5 FFBDHM CCO[C@H]1C[C@@](NCc2cc([N+](=O)[O-])ccc2Cl)(C(=O)[O-])C1(C)C ZINC001596839532 985519459 /nfs/dbraw/zinc/51/94/59/985519459.db2.gz UBLGKPUGNYUTKX-XJKSGUPXSA-N -1 3 356.806 2.996 20 5 FFBDHM CCO[C@H]1C[C@@](NCc2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596839540 985519767 /nfs/dbraw/zinc/51/97/67/985519767.db2.gz UETRSROYPCURLZ-XJKSGUPXSA-N -1 3 356.806 2.996 20 5 FFBDHM CO[C@H](CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001599054801 999221852 /nfs/dbraw/zinc/22/18/52/999221852.db2.gz ZHUSYSSCSPXWKR-QGZVFWFLSA-N -1 3 360.366 2.536 20 5 FFBDHM COc1c(C)cccc1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001191886349 1003989493 /nfs/dbraw/zinc/98/94/93/1003989493.db2.gz TYXPTPZCLPZLBN-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805787635 1004133743 /nfs/dbraw/zinc/13/37/43/1004133743.db2.gz VDJQFIWOVPYFCI-HUBLWGQQSA-N -1 3 373.375 2.915 20 5 FFBDHM CCN(c1cc([O-])cc([N+](=O)[O-])c1)c1nc(Br)cnc1N ZINC001199814425 1005034908 /nfs/dbraw/zinc/03/49/08/1005034908.db2.gz JXWBOGWRFWQDRZ-UHFFFAOYSA-N -1 3 354.164 2.593 20 5 FFBDHM O=C(c1ccc([O-])cc1)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586251 1005955724 /nfs/dbraw/zinc/95/57/24/1005955724.db2.gz LUCMRUKODVTDCX-LJQANCHMSA-N -1 3 370.405 2.929 20 5 FFBDHM COC(=O)c1cc(C(=O)OCc2cc([N+](=O)[O-])ccc2OC(C)C)c[n-]1 ZINC000814532891 1006325258 /nfs/dbraw/zinc/32/52/58/1006325258.db2.gz GVQPHNDPQBPSJS-UHFFFAOYSA-N -1 3 362.338 2.854 20 5 FFBDHM CC[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000853459623 1006396851 /nfs/dbraw/zinc/39/68/51/1006396851.db2.gz STNLIFUPFYIGRZ-VXGBXAGGSA-N -1 3 366.418 2.825 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000778794810 1022377326 /nfs/dbraw/zinc/37/73/26/1022377326.db2.gz AZHJPMKEFOIXFF-SNVBAGLBSA-N -1 3 354.318 2.705 20 5 FFBDHM C[C@@H]1CC[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C[NH2+]1 ZINC001218408455 1033140948 /nfs/dbraw/zinc/14/09/48/1033140948.db2.gz QUZDWHNZMIWERS-MWLCHTKSSA-N -1 3 357.362 2.582 20 5 FFBDHM CCCSc1nc(O[C@H]2CNCc3ccccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001218485714 1033176698 /nfs/dbraw/zinc/17/66/98/1033176698.db2.gz ATOYCUZBKYSKBO-LBPRGKRZSA-N -1 3 362.411 2.816 20 5 FFBDHM COc1cccc([O-])c1C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001137852358 1033208398 /nfs/dbraw/zinc/20/83/98/1033208398.db2.gz WROUOKUTICZTOM-UHFFFAOYSA-N -1 3 350.758 2.935 20 5 FFBDHM C[C@@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000837633521 1025935477 /nfs/dbraw/zinc/93/54/77/1025935477.db2.gz QSHHMIHWQCMORD-SECBINFHSA-N -1 3 361.329 2.954 20 5 FFBDHM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1[N+](=O)[O-] ZINC001162885045 1028696030 /nfs/dbraw/zinc/69/60/30/1028696030.db2.gz BVCZVHPGSWSUNV-UHFFFAOYSA-N -1 3 364.333 2.973 20 5 FFBDHM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1[N+](=O)[O-] ZINC001162885045 1028696033 /nfs/dbraw/zinc/69/60/33/1028696033.db2.gz BVCZVHPGSWSUNV-UHFFFAOYSA-N -1 3 364.333 2.973 20 5 FFBDHM CN(C[C@H](O)c1ccccc1Br)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001163507357 1028953459 /nfs/dbraw/zinc/95/34/59/1028953459.db2.gz DLYMSAMMPFAADO-LBPRGKRZSA-N -1 3 368.187 2.628 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3nccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC001225665954 1034359431 /nfs/dbraw/zinc/35/94/31/1034359431.db2.gz DMDVGZAXWCXJFU-UTUOFQBUSA-N -1 3 365.386 2.862 20 5 FFBDHM COCc1cc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)[n-]c(=S)n1 ZINC001225931686 1034456440 /nfs/dbraw/zinc/45/64/40/1034456440.db2.gz ALPPBALAAVNMPL-QMMMGPOBSA-N -1 3 365.367 2.689 20 5 FFBDHM CCc1nc(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc(=O)[n-]1 ZINC001226475325 1034701521 /nfs/dbraw/zinc/70/15/21/1034701521.db2.gz JRWHKHHACFXTTQ-UHFFFAOYSA-N -1 3 362.361 2.840 20 5 FFBDHM O=c1nc2cccnc2c(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)[n-]1 ZINC001228005413 1035864290 /nfs/dbraw/zinc/86/42/90/1035864290.db2.gz QNQADDHXMTZOQQ-UHFFFAOYSA-N -1 3 367.365 2.686 20 5 FFBDHM C[C@H](Oc1nnc(-c2cccnc2)[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228696501 1036264931 /nfs/dbraw/zinc/26/49/31/1036264931.db2.gz YVXWHYHBPMBIED-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@H](Oc1nc(-c2cccnc2)n[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228696501 1036264941 /nfs/dbraw/zinc/26/49/41/1036264941.db2.gz YVXWHYHBPMBIED-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@H](Oc1n[n-]c(-c2cccnc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228696501 1036264950 /nfs/dbraw/zinc/26/49/50/1036264950.db2.gz YVXWHYHBPMBIED-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM O=c1nc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c2c([n-]1)CCCS2 ZINC001234924162 1037243413 /nfs/dbraw/zinc/24/34/13/1037243413.db2.gz UPAQPUPHFYQQIU-NSHDSACASA-N -1 3 374.422 2.786 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])s1 ZINC001208385647 1038273686 /nfs/dbraw/zinc/27/36/86/1038273686.db2.gz JTNCESGOAHMGRJ-PWSUYJOCSA-N -1 3 362.473 2.838 20 5 FFBDHM COC(=O)c1scc(S(C)(=O)=O)c1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210952136 1039845364 /nfs/dbraw/zinc/84/53/64/1039845364.db2.gz XQNIBYJUOGFKEK-UHFFFAOYSA-N -1 3 374.371 2.729 20 5 FFBDHM Cc1ccc(CN2CCCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)cc1 ZINC001323595401 1045653427 /nfs/dbraw/zinc/65/34/27/1045653427.db2.gz LYJHFPAVHSTTMT-UHFFFAOYSA-N -1 3 369.421 2.957 20 5 FFBDHM COC(=O)[C@H](NCc1ccc([O-])c(OC)c1[N+](=O)[O-])c1ccc(C)c(C)c1 ZINC001308704444 1052489159 /nfs/dbraw/zinc/48/91/59/1052489159.db2.gz FRAFRSMCPUNEJB-MRXNPFEDSA-N -1 3 374.393 2.930 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)c(F)cc1[N+](=O)[O-] ZINC001309015818 1052539603 /nfs/dbraw/zinc/53/96/03/1052539603.db2.gz JJWBSHKNHNAFHE-NSHDSACASA-N -1 3 356.375 2.935 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)c(F)cc1[N+](=O)[O-] ZINC001309124687 1052560303 /nfs/dbraw/zinc/56/03/03/1052560303.db2.gz UDVGAMOUBUHPSN-UHFFFAOYSA-N -1 3 367.402 2.587 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2cccc(F)c2F)c([N+](=O)[O-])s1 ZINC001309182622 1052569415 /nfs/dbraw/zinc/56/94/15/1052569415.db2.gz TVMHSASCMQOCMQ-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(F)cc1[N+](=O)[O-] ZINC001309251448 1052584571 /nfs/dbraw/zinc/58/45/71/1052584571.db2.gz ZOSYWNFIYDGYQC-KMUNFCNLSA-N -1 3 372.418 2.524 20 5 FFBDHM CSc1ccc([O-])c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001448552524 1058791133 /nfs/dbraw/zinc/79/11/33/1058791133.db2.gz QNORBHPWDPFKOO-UHFFFAOYSA-N -1 3 358.379 2.829 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001452725104 1059286324 /nfs/dbraw/zinc/28/63/24/1059286324.db2.gz HMWLVXHMARHDEH-QMMMGPOBSA-N -1 3 370.287 2.672 20 5 FFBDHM O=C(c1cccc([N+](=O)[O-])c1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001455385871 1059776309 /nfs/dbraw/zinc/77/63/09/1059776309.db2.gz FBJUIEYTQWYYHH-UHFFFAOYSA-N -1 3 360.757 2.777 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])s1 ZINC001475136763 1060960724 /nfs/dbraw/zinc/96/07/24/1060960724.db2.gz WMGPWZMJSPPXOS-VXGBXAGGSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2C)c([N+](=O)[O-])s1 ZINC001475476138 1061107131 /nfs/dbraw/zinc/10/71/31/1061107131.db2.gz WKYZBZNCJBBSQX-GXFFZTMASA-N -1 3 352.437 2.971 20 5 FFBDHM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC001475759819 1061257867 /nfs/dbraw/zinc/25/78/67/1061257867.db2.gz OZJALUSSLBKVJS-NSHDSACASA-N -1 3 362.835 2.874 20 5 FFBDHM CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccccc2C1 ZINC001464095904 1062423347 /nfs/dbraw/zinc/42/33/47/1062423347.db2.gz AWBATRNASXKEIE-INIZCTEOSA-N -1 3 369.421 2.867 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1F ZINC001464348884 1062560864 /nfs/dbraw/zinc/56/08/64/1062560864.db2.gz NIMIARRHXPGAKW-BBRMVZONSA-N -1 3 350.371 2.899 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C12CCCC2 ZINC001475039108 1065682767 /nfs/dbraw/zinc/68/27/67/1065682767.db2.gz WSJQWQXUQLENHF-CHWSQXEVSA-N -1 3 374.484 2.981 20 5 FFBDHM CCn1c(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])nc2ccccc21 ZINC001578735913 1078525472 /nfs/dbraw/zinc/52/54/72/1078525472.db2.gz HSXIDDZOBJRPSX-UHFFFAOYSA-N -1 3 364.369 2.757 20 5 FFBDHM CCn1c(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])nc2ccccc21 ZINC001578735913 1078525480 /nfs/dbraw/zinc/52/54/80/1078525480.db2.gz HSXIDDZOBJRPSX-UHFFFAOYSA-N -1 3 364.369 2.757 20 5 FFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001579251523 1078602161 /nfs/dbraw/zinc/60/21/61/1078602161.db2.gz NCMHMRHDCPGFTD-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC001579251523 1078602164 /nfs/dbraw/zinc/60/21/64/1078602164.db2.gz NCMHMRHDCPGFTD-UHFFFAOYSA-N -1 3 361.365 2.960 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001581044576 1078911476 /nfs/dbraw/zinc/91/14/76/1078911476.db2.gz GJHMXARYLQZDFS-UHFFFAOYSA-N -1 3 365.353 2.631 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001581044576 1078911480 /nfs/dbraw/zinc/91/14/80/1078911480.db2.gz GJHMXARYLQZDFS-UHFFFAOYSA-N -1 3 365.353 2.631 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@H]1C1CCC1 ZINC001582632286 1079077555 /nfs/dbraw/zinc/07/75/55/1079077555.db2.gz BSNJEAPBBYGDLS-VHSXEESVSA-N -1 3 362.777 2.803 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@H]1C1CCC1 ZINC001582632286 1079077558 /nfs/dbraw/zinc/07/75/58/1079077558.db2.gz BSNJEAPBBYGDLS-VHSXEESVSA-N -1 3 362.777 2.803 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC001582804809 1079109647 /nfs/dbraw/zinc/10/96/47/1079109647.db2.gz MVEXWUWWFKQEPH-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1noc2cc(F)ccc12 ZINC001582803808 1079109934 /nfs/dbraw/zinc/10/99/34/1079109934.db2.gz VRQAJJQVDBGNTB-UHFFFAOYSA-N -1 3 373.279 2.806 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1noc2cc(F)ccc12 ZINC001582803808 1079109936 /nfs/dbraw/zinc/10/99/36/1079109936.db2.gz VRQAJJQVDBGNTB-UHFFFAOYSA-N -1 3 373.279 2.806 20 5 FFBDHM C[C@@H](C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001558572703 1076036538 /nfs/dbraw/zinc/03/65/38/1076036538.db2.gz IQCRFZCZDKKAQK-SFYZADRCSA-N -1 3 357.292 2.713 20 5 FFBDHM CC(=O)c1ccc(N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC001559223667 1076136463 /nfs/dbraw/zinc/13/64/63/1076136463.db2.gz LTABVIVXBULWAT-GHMZBOCLSA-N -1 3 372.381 2.973 20 5 FFBDHM COc1cc(CNc2cnn(Cc3ccncc3)c2)c([N+](=O)[O-])cc1[O-] ZINC001560309571 1076262338 /nfs/dbraw/zinc/26/23/38/1076262338.db2.gz JWZJQXQWDVBODD-UHFFFAOYSA-N -1 3 355.354 2.561 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c1 ZINC001561956855 1076453770 /nfs/dbraw/zinc/45/37/70/1076453770.db2.gz FFQISZLXFHZWSY-PRHODGIISA-N -1 3 361.217 2.578 20 5 FFBDHM O=C(c1c[n-]c2c(F)cc(F)cc2c1=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001565895097 1076786177 /nfs/dbraw/zinc/78/61/77/1076786177.db2.gz FSCMMQDWIOAXPB-UHFFFAOYSA-N -1 3 371.299 2.917 20 5 FFBDHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001588942720 1080275697 /nfs/dbraw/zinc/27/56/97/1080275697.db2.gz FVXOJQNOSOITEE-LLVKDONJSA-N -1 3 352.354 2.541 20 5 FFBDHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001588942720 1080275705 /nfs/dbraw/zinc/27/57/05/1080275705.db2.gz FVXOJQNOSOITEE-LLVKDONJSA-N -1 3 352.354 2.541 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589156435 1080389747 /nfs/dbraw/zinc/38/97/47/1080389747.db2.gz VSBPHDYXQAGNQT-UHFFFAOYSA-N -1 3 351.388 2.599 20 5 FFBDHM CC(C)(C)OC(=O)CCSc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589156435 1080389750 /nfs/dbraw/zinc/38/97/50/1080389750.db2.gz VSBPHDYXQAGNQT-UHFFFAOYSA-N -1 3 351.388 2.599 20 5 FFBDHM CC(=O)Oc1ccc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001589229533 1080434202 /nfs/dbraw/zinc/43/42/02/1080434202.db2.gz CSFKIPSIRJFRHX-GOSISDBHSA-N -1 3 358.350 2.610 20 5 FFBDHM CC(C)C(=O)Nc1ccc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589412781 1080519774 /nfs/dbraw/zinc/51/97/74/1080519774.db2.gz RPLNZMYRNQCFBO-UHFFFAOYSA-N -1 3 369.341 2.557 20 5 FFBDHM CC(C)C(=O)Nc1ccc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589412781 1080519780 /nfs/dbraw/zinc/51/97/80/1080519780.db2.gz RPLNZMYRNQCFBO-UHFFFAOYSA-N -1 3 369.341 2.557 20 5 FFBDHM CC(C)OC(=O)C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)C ZINC001589729954 1080690931 /nfs/dbraw/zinc/69/09/31/1080690931.db2.gz BXJWXMCEPKJAJX-ZDUSSCGKSA-N -1 3 362.390 2.553 20 5 FFBDHM CC(C)OC(=O)C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)C ZINC001589729954 1080690936 /nfs/dbraw/zinc/69/09/36/1080690936.db2.gz BXJWXMCEPKJAJX-ZDUSSCGKSA-N -1 3 362.390 2.553 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001589977902 1080916794 /nfs/dbraw/zinc/91/67/94/1080916794.db2.gz AKRMTPOMQKOKDY-AFNXNYLOSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC001589977902 1080916797 /nfs/dbraw/zinc/91/67/97/1080916797.db2.gz AKRMTPOMQKOKDY-AFNXNYLOSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC001589983870 1080920950 /nfs/dbraw/zinc/92/09/50/1080920950.db2.gz HDDAHGCZCDTTOQ-SECBINFHSA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC001589983870 1080920955 /nfs/dbraw/zinc/92/09/55/1080920955.db2.gz HDDAHGCZCDTTOQ-SECBINFHSA-N -1 3 354.326 2.677 20 5 FFBDHM CN1CCN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc2C1 ZINC000103447046 250150998 /nfs/dbraw/zinc/15/09/98/250150998.db2.gz LQSZODZCGCPFHX-UHFFFAOYSA-N -1 3 351.366 2.563 20 5 FFBDHM Cc1c(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000273431276 252305825 /nfs/dbraw/zinc/30/58/25/252305825.db2.gz OYOPOZIOULBBKZ-JTQLQIEISA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1c(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000273431276 252305829 /nfs/dbraw/zinc/30/58/29/252305829.db2.gz OYOPOZIOULBBKZ-JTQLQIEISA-N -1 3 368.390 2.870 20 5 FFBDHM O=C(O[C@H]([C@H]1CCCOC1)C(F)(F)F)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000279198205 256392002 /nfs/dbraw/zinc/39/20/02/256392002.db2.gz KNQQZDOGTVHCNG-ISVAXAHUSA-N -1 3 373.287 2.985 20 5 FFBDHM O=C(O[C@H]([C@H]1CCCOC1)C(F)(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000279198205 256392004 /nfs/dbraw/zinc/39/20/04/256392004.db2.gz KNQQZDOGTVHCNG-ISVAXAHUSA-N -1 3 373.287 2.985 20 5 FFBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(C3CCOCC3)cs2)c1[N+](=O)[O-] ZINC000286186301 257024870 /nfs/dbraw/zinc/02/48/70/257024870.db2.gz AFLADQMHLHIMDY-UHFFFAOYSA-N -1 3 365.415 2.873 20 5 FFBDHM COc1cc(C(=O)[N-]OC/C=C/Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000291826115 257428535 /nfs/dbraw/zinc/42/85/35/257428535.db2.gz MPBZWSOJMKZSMG-NSCUHMNNSA-N -1 3 352.677 2.619 20 5 FFBDHM Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000409855760 512155812 /nfs/dbraw/zinc/15/58/12/512155812.db2.gz JSBSMLNOSFBYLH-UHFFFAOYSA-N -1 3 374.422 2.540 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OC(F)F ZINC000410172497 512217653 /nfs/dbraw/zinc/21/76/53/512217653.db2.gz CWZZPGWQBIHXFO-ZYHUDNBSSA-N -1 3 364.370 2.732 20 5 FFBDHM O=C(Nc1cccc(F)c1-c1nc[nH]n1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000373342823 512282517 /nfs/dbraw/zinc/28/25/17/512282517.db2.gz DELVQNACINJRPT-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000055985542 506902754 /nfs/dbraw/zinc/90/27/54/506902754.db2.gz XUEOGQZXAJQCOI-UHFFFAOYSA-N -1 3 352.437 2.974 20 5 FFBDHM COCc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000107702681 507864134 /nfs/dbraw/zinc/86/41/34/507864134.db2.gz AGCDXODGBKZUTM-UHFFFAOYSA-N -1 3 368.386 2.667 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000111363091 508093774 /nfs/dbraw/zinc/09/37/74/508093774.db2.gz KMBMGHSAQXOGNI-SNVBAGLBSA-N -1 3 355.441 2.962 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000111363282 508093933 /nfs/dbraw/zinc/09/39/33/508093933.db2.gz DPLAFVNRWRNOGM-SNVBAGLBSA-N -1 3 355.441 2.962 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1C ZINC000111368226 508094263 /nfs/dbraw/zinc/09/42/63/508094263.db2.gz IKIKIRHYNVTXQD-DIFFPNOSSA-N -1 3 362.407 2.815 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(Br)cc1[O-])n1cc([N+](=O)[O-])cn1 ZINC000102331312 508272309 /nfs/dbraw/zinc/27/23/09/508272309.db2.gz AVFKVLMQZKBUSA-UHFFFAOYSA-N -1 3 369.175 2.633 20 5 FFBDHM COc1ccc([N-]C(=O)c2csc(-c3cnccn3)n2)c([N+](=O)[O-])c1 ZINC000077174542 508283092 /nfs/dbraw/zinc/28/30/92/508283092.db2.gz RDXTUBACBNRKRE-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1F ZINC000104746868 508344515 /nfs/dbraw/zinc/34/45/15/508344515.db2.gz AMWKWDLUHBOOAO-GXTWGEPZSA-N -1 3 350.371 2.877 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2C ZINC000104753930 508345049 /nfs/dbraw/zinc/34/50/49/508345049.db2.gz LBTRRYYMYAQWIK-HNNXBMFYSA-N -1 3 362.407 2.878 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2C ZINC000104753934 508345318 /nfs/dbraw/zinc/34/53/18/508345318.db2.gz LBTRRYYMYAQWIK-OAHLLOKOSA-N -1 3 362.407 2.878 20 5 FFBDHM C[S@](=O)Cc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000115483382 508396721 /nfs/dbraw/zinc/39/67/21/508396721.db2.gz XISQHILYOGHXFD-RUZDIDTESA-N -1 3 358.379 2.602 20 5 FFBDHM CCOc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1CO ZINC000156773372 508475639 /nfs/dbraw/zinc/47/56/39/508475639.db2.gz MFMJCLRPSDCBLN-UHFFFAOYSA-N -1 3 356.338 2.614 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCCOc2ccccc2)cc1[N+](=O)[O-] ZINC000122905814 508605169 /nfs/dbraw/zinc/60/51/69/508605169.db2.gz MLSZREWTURSVDT-UHFFFAOYSA-N -1 3 356.425 2.712 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000119268532 508760714 /nfs/dbraw/zinc/76/07/14/508760714.db2.gz UQXGYTDDEXXDFQ-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COC(=O)c1sc2[n-]c(Cc3cccc([N+](=O)[O-])c3C)nc(=O)c2c1C ZINC000119806388 508866194 /nfs/dbraw/zinc/86/61/94/508866194.db2.gz WKTYKYPLODTBSF-UHFFFAOYSA-N -1 3 373.390 2.887 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1noc2c1CCCCC2 ZINC000119964019 508898878 /nfs/dbraw/zinc/89/88/78/508898878.db2.gz BXMPMVLYIBYMAK-UHFFFAOYSA-N -1 3 368.353 2.889 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000125122796 508934299 /nfs/dbraw/zinc/93/42/99/508934299.db2.gz APOBKEHCZFWMRF-FZMZJTMJSA-N -1 3 362.473 2.694 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c1C ZINC000160127065 508942094 /nfs/dbraw/zinc/94/20/94/508942094.db2.gz KYSSKKKUPYGQAS-GFCCVEGCSA-N -1 3 350.396 2.957 20 5 FFBDHM CC[C@H](C)NS(=O)(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000125532698 508996155 /nfs/dbraw/zinc/99/61/55/508996155.db2.gz FWGXUQCACCZLSM-JTQLQIEISA-N -1 3 367.383 2.517 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nccs1 ZINC000151477537 509024930 /nfs/dbraw/zinc/02/49/30/509024930.db2.gz HAAPUYAZIMYWGG-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM Nc1c(C(=O)NCc2ccc([O-])c(Br)c2)cccc1[N+](=O)[O-] ZINC000151592474 509048991 /nfs/dbraw/zinc/04/89/91/509048991.db2.gz IKSHHNMOPKDCSE-UHFFFAOYSA-N -1 3 366.171 2.575 20 5 FFBDHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000121082892 509123732 /nfs/dbraw/zinc/12/37/32/509123732.db2.gz LKRWFAFMFMZOSG-CQSZACIVSA-N -1 3 364.851 2.714 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000163385215 509371168 /nfs/dbraw/zinc/37/11/68/509371168.db2.gz OFFNYVYPKPFQMP-LLVKDONJSA-N -1 3 370.349 2.563 20 5 FFBDHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000248608089 509388341 /nfs/dbraw/zinc/38/83/41/509388341.db2.gz VWHLQTZXCJDQBM-DFBGVHRSSA-N -1 3 372.381 2.863 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000186277878 509618443 /nfs/dbraw/zinc/61/84/43/509618443.db2.gz KLQCSYXJJFJRHK-UHFFFAOYSA-N -1 3 372.349 2.669 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000170827527 509795448 /nfs/dbraw/zinc/79/54/48/509795448.db2.gz ILDZVNAADKIZGQ-ZDUSSCGKSA-N -1 3 371.393 2.606 20 5 FFBDHM COc1cc(CNc2nnc(-c3ccccn3)s2)c([N+](=O)[O-])cc1[O-] ZINC000193328447 509868288 /nfs/dbraw/zinc/86/82/88/509868288.db2.gz WQJIFEQPKOAVJB-UHFFFAOYSA-N -1 3 359.367 2.835 20 5 FFBDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000186734631 509881123 /nfs/dbraw/zinc/88/11/23/509881123.db2.gz CKVRFXHBMUGOMA-MRVPVSSYSA-N -1 3 359.404 2.581 20 5 FFBDHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190184263 509992839 /nfs/dbraw/zinc/99/28/39/509992839.db2.gz GKJMTHGPODWKRH-LBPRGKRZSA-N -1 3 365.411 2.655 20 5 FFBDHM COc1cc(CNC[C@](C)(O)c2cc(C)oc2C)c([N+](=O)[O-])cc1[O-] ZINC000174441461 510115924 /nfs/dbraw/zinc/11/59/24/510115924.db2.gz BAKQFONDHMLNDT-KRWDZBQOSA-N -1 3 350.371 2.516 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)s1 ZINC000265725666 510197074 /nfs/dbraw/zinc/19/70/74/510197074.db2.gz PDTUYJICUKUGPZ-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000184424655 510318659 /nfs/dbraw/zinc/31/86/59/510318659.db2.gz JRVDATUWUJWPTC-UHFFFAOYSA-N -1 3 369.468 2.968 20 5 FFBDHM CCCc1nnc([N-]C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)s1 ZINC000265990803 510345630 /nfs/dbraw/zinc/34/56/30/510345630.db2.gz MFONEFTWGFVCEZ-UHFFFAOYSA-N -1 3 352.372 2.668 20 5 FFBDHM COc1cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000270126559 510685756 /nfs/dbraw/zinc/68/57/56/510685756.db2.gz PAIZAILWGXYXKP-JPQMIFPKSA-N -1 3 364.423 2.897 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)n1 ZINC000191541255 510714195 /nfs/dbraw/zinc/71/41/95/510714195.db2.gz XZQBTCOJWAKICC-UHFFFAOYSA-N -1 3 363.399 2.675 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000247314627 510856596 /nfs/dbraw/zinc/85/65/96/510856596.db2.gz JUCIOAOAYGJACX-UHFFFAOYSA-N -1 3 367.452 2.604 20 5 FFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(N3CCCC3)nc2)s1 ZINC000271691941 511289897 /nfs/dbraw/zinc/28/98/97/511289897.db2.gz FHJOIMUFNLLPOI-UHFFFAOYSA-N -1 3 368.440 2.799 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000292054155 511447824 /nfs/dbraw/zinc/44/78/24/511447824.db2.gz NYWJKGIZMGOCAP-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000281078757 511712908 /nfs/dbraw/zinc/71/29/08/511712908.db2.gz CJQNOEWVMGCBDG-MRXNPFEDSA-N -1 3 355.394 2.867 20 5 FFBDHM O=C([O-])c1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000305272240 511758418 /nfs/dbraw/zinc/75/84/18/511758418.db2.gz ZRIUYMZOUCKQCL-HNNXBMFYSA-N -1 3 356.382 2.765 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000389791074 512902346 /nfs/dbraw/zinc/90/23/46/512902346.db2.gz LSZLHICIJOBBKU-DOMZBBRYSA-N -1 3 356.382 2.620 20 5 FFBDHM C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CN1Cc1ccccc1 ZINC000398025903 512952235 /nfs/dbraw/zinc/95/22/35/512952235.db2.gz AJGGCMRIDIQFQY-ZFWWWQNUSA-N -1 3 355.394 2.693 20 5 FFBDHM O=C(Nc1cccc2c1OCCC2=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000368602802 513021539 /nfs/dbraw/zinc/02/15/39/513021539.db2.gz KPWJEIZYVVWZLZ-UHFFFAOYSA-N -1 3 352.306 2.689 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])c(F)cc1F ZINC000440378154 513304395 /nfs/dbraw/zinc/30/43/95/513304395.db2.gz JYZRDYRSCHGJKX-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425001029 513362442 /nfs/dbraw/zinc/36/24/42/513362442.db2.gz COVKNWBAAZGHRM-MAUKXSAKSA-N -1 3 367.405 2.647 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000440662368 513375368 /nfs/dbraw/zinc/37/53/68/513375368.db2.gz FMENEUGALXAOEC-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000447146535 513405699 /nfs/dbraw/zinc/40/56/99/513405699.db2.gz YQEUZDDOYSQWHQ-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM COc1ccc([N-]C(=O)c2cn(-c3cc(C)cc(F)c3)nn2)c([N+](=O)[O-])c1 ZINC000447605471 513520553 /nfs/dbraw/zinc/52/05/53/513520553.db2.gz IZWMNABOCKLAIA-UHFFFAOYSA-N -1 3 371.328 2.884 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1[N-]c1ccn(CC(F)F)n1 ZINC000447818109 513581100 /nfs/dbraw/zinc/58/11/00/513581100.db2.gz RFTRMRFOZPCLIY-UHFFFAOYSA-N -1 3 360.704 2.662 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCC1CC1 ZINC000416593730 513855409 /nfs/dbraw/zinc/85/54/09/513855409.db2.gz JWNZAIKWJCOHFG-UHFFFAOYSA-N -1 3 362.835 2.732 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c2ncccc12 ZINC000416598311 513858464 /nfs/dbraw/zinc/85/84/64/513858464.db2.gz ULDZTGLIYKACEO-VXGBXAGGSA-N -1 3 353.375 2.702 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c(Cl)c1 ZINC000431311977 513871158 /nfs/dbraw/zinc/87/11/58/513871158.db2.gz HMWBJNBHPLOHLY-UHFFFAOYSA-N -1 3 368.798 2.757 20 5 FFBDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000451673411 513903420 /nfs/dbraw/zinc/90/34/20/513903420.db2.gz KQIVPRUEDZTHLK-BXKDBHETSA-N -1 3 350.824 2.588 20 5 FFBDHM O=C(NCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccc([O-])cc1 ZINC000436701968 513948368 /nfs/dbraw/zinc/94/83/68/513948368.db2.gz BGHMGYADAHCZHL-UHFFFAOYSA-N -1 3 367.308 2.744 20 5 FFBDHM C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1Cc1ccccc1 ZINC000436748822 513966967 /nfs/dbraw/zinc/96/69/67/513966967.db2.gz HMFSDDWQJCCOQK-GUYCJALGSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c1C ZINC000451806016 513992563 /nfs/dbraw/zinc/99/25/63/513992563.db2.gz WDAKFVPVLYRCPI-AWEZNQCLSA-N -1 3 368.455 2.839 20 5 FFBDHM Cc1cc(NC2CCN(C(=O)c3ccccc3[O-])CC2)ncc1[N+](=O)[O-] ZINC000436840359 514003908 /nfs/dbraw/zinc/00/39/08/514003908.db2.gz QHNZKRQSLSHMPK-UHFFFAOYSA-N -1 3 356.382 2.721 20 5 FFBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N(c1ccccc1)[C@H]1CCOC1 ZINC000436867260 514015633 /nfs/dbraw/zinc/01/56/33/514015633.db2.gz CKWXAKGXFPZVBB-AWEZNQCLSA-N -1 3 352.350 2.907 20 5 FFBDHM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)o1 ZINC000451962243 514096432 /nfs/dbraw/zinc/09/64/32/514096432.db2.gz WAMWQLCYUZKEAT-UHFFFAOYSA-N -1 3 353.400 2.576 20 5 FFBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1CN(C)C ZINC000414466813 514135852 /nfs/dbraw/zinc/13/58/52/514135852.db2.gz XEHXNEFENCQGLP-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000427248996 514162099 /nfs/dbraw/zinc/16/20/99/514162099.db2.gz KCENNLHEBHQPBS-JSGCOSHPSA-N -1 3 374.484 2.946 20 5 FFBDHM O=C(Nc1cccc(OCc2cscn2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445179220 514437175 /nfs/dbraw/zinc/43/71/75/514437175.db2.gz YSOUROYTFLEMBO-UHFFFAOYSA-N -1 3 372.362 2.983 20 5 FFBDHM CCCCn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)n1 ZINC000467062448 514883933 /nfs/dbraw/zinc/88/39/33/514883933.db2.gz YSLDSEWVJHSBPZ-UHFFFAOYSA-N -1 3 372.472 2.748 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000467395826 514994715 /nfs/dbraw/zinc/99/47/15/514994715.db2.gz VJWJYTHWZSEMEQ-MRVPVSSYSA-N -1 3 370.408 2.733 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c1[N+](=O)[O-] ZINC000480727375 515060939 /nfs/dbraw/zinc/06/09/39/515060939.db2.gz JDVFNGSCRQSODG-GFCCVEGCSA-N -1 3 356.444 2.836 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCC(=O)OC(C)C)cc1C ZINC000480755332 515070818 /nfs/dbraw/zinc/07/08/18/515070818.db2.gz MEBWSQCWWVSRGI-ZDUSSCGKSA-N -1 3 372.443 2.610 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000462571565 515130411 /nfs/dbraw/zinc/13/04/11/515130411.db2.gz JXZDATUFQOKUSN-HNNXBMFYSA-N -1 3 350.396 2.569 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000481009001 515171743 /nfs/dbraw/zinc/17/17/43/515171743.db2.gz FRIGKNOAGPTEJA-IUODEOHRSA-N -1 3 369.487 2.610 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2sccc2C)cc1[N+](=O)[O-] ZINC000490695809 515284572 /nfs/dbraw/zinc/28/45/72/515284572.db2.gz WEMXSPYMTPOAIT-UHFFFAOYSA-N -1 3 360.388 2.591 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000477121580 515338661 /nfs/dbraw/zinc/33/86/61/515338661.db2.gz OXYNEUDJOUWQNT-CQSZACIVSA-N -1 3 372.443 2.548 20 5 FFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000481873068 515495441 /nfs/dbraw/zinc/49/54/41/515495441.db2.gz XIDOTYSTJGADRC-UHFFFAOYSA-N -1 3 362.396 2.583 20 5 FFBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000486610674 515561306 /nfs/dbraw/zinc/56/13/06/515561306.db2.gz HYBNMGZRVYODTF-KOLCDFICSA-N -1 3 367.431 2.574 20 5 FFBDHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487102865 515758589 /nfs/dbraw/zinc/75/85/89/515758589.db2.gz ULGVACFRFSTBDR-SNVBAGLBSA-N -1 3 355.803 2.553 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000511053340 515759675 /nfs/dbraw/zinc/75/96/75/515759675.db2.gz UKMSNDKNNJEZKX-UHFFFAOYSA-N -1 3 354.428 2.851 20 5 FFBDHM COC(=O)c1ccc(C(C)C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000469507304 515844086 /nfs/dbraw/zinc/84/40/86/515844086.db2.gz VEBVOCSTKOJGPC-UHFFFAOYSA-N -1 3 359.338 2.858 20 5 FFBDHM CSCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000511399838 515890827 /nfs/dbraw/zinc/89/08/27/515890827.db2.gz PZGZXXAHONCUFM-UHFFFAOYSA-N -1 3 358.466 2.998 20 5 FFBDHM CC[C@@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000483161922 515962054 /nfs/dbraw/zinc/96/20/54/515962054.db2.gz WLYYQPZIEZTMBW-SNVBAGLBSA-N -1 3 372.307 2.682 20 5 FFBDHM CC[C@@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000483161922 515962062 /nfs/dbraw/zinc/96/20/62/515962062.db2.gz WLYYQPZIEZTMBW-SNVBAGLBSA-N -1 3 372.307 2.682 20 5 FFBDHM CC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000483161922 515962072 /nfs/dbraw/zinc/96/20/72/515962072.db2.gz WLYYQPZIEZTMBW-SNVBAGLBSA-N -1 3 372.307 2.682 20 5 FFBDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000474395921 516029786 /nfs/dbraw/zinc/02/97/86/516029786.db2.gz UHMALCVLXYTRGY-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM O=C(NCCCNc1c2ccccc2ncc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000488126176 516126306 /nfs/dbraw/zinc/12/63/06/516126306.db2.gz MQLJECHTPHJGSY-UHFFFAOYSA-N -1 3 366.377 2.503 20 5 FFBDHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488235263 516169865 /nfs/dbraw/zinc/16/98/65/516169865.db2.gz OHWJKPWFZUAQKF-UHFFFAOYSA-N -1 3 374.321 2.691 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000512160264 516177931 /nfs/dbraw/zinc/17/79/31/516177931.db2.gz PMIZLZZBNKZENK-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCn2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000507524346 516231245 /nfs/dbraw/zinc/23/12/45/516231245.db2.gz BCOGSKRCGHMYSW-UHFFFAOYSA-N -1 3 374.422 2.622 20 5 FFBDHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000497363321 516314297 /nfs/dbraw/zinc/31/42/97/516314297.db2.gz FMNMDAYTIDRFEY-CYBMUJFWSA-N -1 3 364.423 2.821 20 5 FFBDHM CCc1cc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1[O-] ZINC000561086373 516372068 /nfs/dbraw/zinc/37/20/68/516372068.db2.gz XJGUGQKDEXBVKY-UHFFFAOYSA-N -1 3 374.393 2.853 20 5 FFBDHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000540726174 516686637 /nfs/dbraw/zinc/68/66/37/516686637.db2.gz MUPLFALIFDGPMT-YPMHNXCESA-N -1 3 360.407 2.606 20 5 FFBDHM Cc1cc(F)c(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000532406298 516956505 /nfs/dbraw/zinc/95/65/05/516956505.db2.gz LYFDVGWACPYKIG-UHFFFAOYSA-N -1 3 372.349 2.539 20 5 FFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000544848093 516956798 /nfs/dbraw/zinc/95/67/98/516956798.db2.gz DNAKAFXBYDUYRK-QMMMGPOBSA-N -1 3 356.322 2.613 20 5 FFBDHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000541308961 516980362 /nfs/dbraw/zinc/98/03/62/516980362.db2.gz UJFVWWFWJPVAAL-GHMZBOCLSA-N -1 3 362.835 2.732 20 5 FFBDHM CC(C)(C)n1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000541315911 516985529 /nfs/dbraw/zinc/98/55/29/516985529.db2.gz WFPDKEBPZVGMNZ-UHFFFAOYSA-N -1 3 355.301 2.795 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000548620720 517092771 /nfs/dbraw/zinc/09/27/71/517092771.db2.gz WYWOMUNNZXJKIT-SECBINFHSA-N -1 3 374.415 2.714 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)c1ccccc1 ZINC000541815054 517229039 /nfs/dbraw/zinc/22/90/39/517229039.db2.gz YKLMQJVMRCJEAC-HNNXBMFYSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000527042485 517468342 /nfs/dbraw/zinc/46/83/42/517468342.db2.gz QKCXFWATASLHQQ-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000559890958 517474338 /nfs/dbraw/zinc/47/43/38/517474338.db2.gz LIQJTVTWYLOFPG-SNVBAGLBSA-N -1 3 362.773 2.675 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000549256308 517479748 /nfs/dbraw/zinc/47/97/48/517479748.db2.gz ONZLEPACGGRMGG-CHWSQXEVSA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)c1[N+](=O)[O-] ZINC000549523194 517599816 /nfs/dbraw/zinc/59/98/16/517599816.db2.gz RXLWQMGYFWLNBS-OAHLLOKOSA-N -1 3 370.471 2.679 20 5 FFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)CO2 ZINC000542748153 517716024 /nfs/dbraw/zinc/71/60/24/517716024.db2.gz BESOYTWORGSUHR-CQSZACIVSA-N -1 3 362.407 2.932 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000549863825 517752753 /nfs/dbraw/zinc/75/27/53/517752753.db2.gz YZPJZLDMEDINPV-UHFFFAOYSA-N -1 3 373.818 2.894 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000557528039 518055857 /nfs/dbraw/zinc/05/58/57/518055857.db2.gz BMRHJAQTPBJVEG-UHFFFAOYSA-N -1 3 359.345 2.979 20 5 FFBDHM Cc1ccnc2nc(C(=O)[N-]c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)nn21 ZINC000563678195 518061482 /nfs/dbraw/zinc/06/14/82/518061482.db2.gz CHGVOKJRAAEUKS-UHFFFAOYSA-N -1 3 354.370 2.891 20 5 FFBDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575942422 518353865 /nfs/dbraw/zinc/35/38/65/518353865.db2.gz DYKNIAZPOXUEGZ-BJOHPYRUSA-N -1 3 352.343 2.534 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2(CF)CCC2)c1 ZINC000567730194 518680143 /nfs/dbraw/zinc/68/01/43/518680143.db2.gz VKZMEHURWKUPGU-UHFFFAOYSA-N -1 3 367.196 2.528 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC000576619433 518680627 /nfs/dbraw/zinc/68/06/27/518680627.db2.gz MTMLVINEWMVNCS-UHFFFAOYSA-N -1 3 374.422 2.791 20 5 FFBDHM Cc1cc(NC2CCN(CCOC(C)C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565035020 518753488 /nfs/dbraw/zinc/75/34/88/518753488.db2.gz DRXPDOCTRNLKMG-UHFFFAOYSA-N -1 3 365.430 2.903 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCCC2)n1 ZINC000565037456 518754504 /nfs/dbraw/zinc/75/45/04/518754504.db2.gz UJBQCAGSQXQYIX-ZDUSSCGKSA-N -1 3 362.411 2.999 20 5 FFBDHM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN(C2CC2)C1 ZINC000573686398 518786495 /nfs/dbraw/zinc/78/64/95/518786495.db2.gz LWLKPPVTUOQJLF-SNVBAGLBSA-N -1 3 353.806 2.510 20 5 FFBDHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000579733723 518827371 /nfs/dbraw/zinc/82/73/71/518827371.db2.gz PGWWGLNBJIBOKW-UHFFFAOYSA-N -1 3 358.460 2.759 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c2ncccc12 ZINC000588906258 518867407 /nfs/dbraw/zinc/86/74/07/518867407.db2.gz SVHKNGCKHNXUQN-UHFFFAOYSA-N -1 3 371.365 2.999 20 5 FFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)c(F)cc(F)c1F ZINC000565320103 518896684 /nfs/dbraw/zinc/89/66/84/518896684.db2.gz KQWKZFYNHONTNE-UHFFFAOYSA-N -1 3 354.219 2.702 20 5 FFBDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000574541677 519208174 /nfs/dbraw/zinc/20/81/74/519208174.db2.gz QUSQBBHROVCGAX-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594475267 519986282 /nfs/dbraw/zinc/98/62/82/519986282.db2.gz UJJOGIRWCQXHHQ-ZFWWWQNUSA-N -1 3 374.846 2.874 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594485642 519994270 /nfs/dbraw/zinc/99/42/70/519994270.db2.gz BDDARYWMUXCWNK-KBPBESRZSA-N -1 3 356.444 2.838 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000594489792 519998194 /nfs/dbraw/zinc/99/81/94/519998194.db2.gz YYHDFQHANMQRPJ-AWEZNQCLSA-N -1 3 368.455 2.982 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594488859 519998700 /nfs/dbraw/zinc/99/87/00/519998700.db2.gz WMBQNHKJTWMWFY-HIFRSBDPSA-N -1 3 356.444 2.838 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594492158 520001809 /nfs/dbraw/zinc/00/18/09/520001809.db2.gz VFFARNQXZBGAOW-CQSZACIVSA-N -1 3 354.428 2.506 20 5 FFBDHM O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612556313 520019936 /nfs/dbraw/zinc/01/99/36/520019936.db2.gz IGBIMMHPGMGFMA-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594753008 520133026 /nfs/dbraw/zinc/13/30/26/520133026.db2.gz GTRBXTJHCIFITE-LBPRGKRZSA-N -1 3 367.427 2.627 20 5 FFBDHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609021138 520178820 /nfs/dbraw/zinc/17/88/20/520178820.db2.gz HYYPVPGACVPHCC-UHFFFAOYSA-N -1 3 361.335 2.551 20 5 FFBDHM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000603491846 520285085 /nfs/dbraw/zinc/28/50/85/520285085.db2.gz ZXXLQUXKYKIXGW-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc(-n2ccnc2)c1 ZINC000609675993 520403146 /nfs/dbraw/zinc/40/31/46/520403146.db2.gz JYZIUQKPEXAMHJ-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000609802048 520439345 /nfs/dbraw/zinc/43/93/45/520439345.db2.gz HKJSAVALVDTOPK-LBPRGKRZSA-N -1 3 366.420 2.729 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)O)c1[N+](=O)[O-] ZINC000595406975 520449807 /nfs/dbraw/zinc/44/98/07/520449807.db2.gz LSCGYJVHIWEALQ-UKRRQHHQSA-N -1 3 364.423 2.612 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000604126249 520458604 /nfs/dbraw/zinc/45/86/04/520458604.db2.gz MEACZYXJLSHPAS-UHFFFAOYSA-N -1 3 361.423 2.674 20 5 FFBDHM CC1(C)C[C@@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C(C)(C)O1 ZINC000600816872 520483417 /nfs/dbraw/zinc/48/34/17/520483417.db2.gz LNEYGTYNJWHCEW-ZDUSSCGKSA-N -1 3 358.398 2.939 20 5 FFBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610136414 520555975 /nfs/dbraw/zinc/55/59/75/520555975.db2.gz OOAVLTXHWHJBBT-RYUDHWBXSA-N -1 3 370.427 2.613 20 5 FFBDHM C[C@@H](Oc1ccc(F)cc1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000604455717 520567113 /nfs/dbraw/zinc/56/71/13/520567113.db2.gz PARIGLQDAQCWSP-LLVKDONJSA-N -1 3 370.340 2.952 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610265811 520610839 /nfs/dbraw/zinc/61/08/39/520610839.db2.gz LOMTYAQQBRJVKI-AWEZNQCLSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1nc2cc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc2n1C ZINC000610310596 520631275 /nfs/dbraw/zinc/63/12/75/520631275.db2.gz ILXRMPMEGZBWGX-UHFFFAOYSA-N -1 3 350.338 2.919 20 5 FFBDHM O=c1[nH]c2ccccc2n1C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596062150 520889197 /nfs/dbraw/zinc/88/91/97/520889197.db2.gz UWXUDTXAJDWBIR-UHFFFAOYSA-N -1 3 355.354 2.592 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)nc1 ZINC000593557379 521075145 /nfs/dbraw/zinc/07/51/45/521075145.db2.gz NJWULQBHTIFBIT-UHFFFAOYSA-N -1 3 367.814 2.653 20 5 FFBDHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000611292096 521082629 /nfs/dbraw/zinc/08/26/29/521082629.db2.gz QVFXKASQWNEWEV-JTQLQIEISA-N -1 3 355.803 2.991 20 5 FFBDHM COC(=O)c1csc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1C ZINC000611461766 521168621 /nfs/dbraw/zinc/16/86/21/521168621.db2.gz CAUDJRLFWWGQIH-UHFFFAOYSA-N -1 3 352.372 2.850 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000619477645 521588881 /nfs/dbraw/zinc/58/88/81/521588881.db2.gz SDMNWEBTPUVUBB-CMPLNLGQSA-N -1 3 366.395 2.798 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000473847248 561059021 /nfs/dbraw/zinc/05/90/21/561059021.db2.gz CTGPRCWDTGHDJR-OAHLLOKOSA-N -1 3 368.353 2.607 20 5 FFBDHM COc1cc(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cc([N+](=O)[O-])c1OC ZINC000535120191 562551404 /nfs/dbraw/zinc/55/14/04/562551404.db2.gz LICKFFDPPIEMFE-UHFFFAOYSA-N -1 3 369.337 2.649 20 5 FFBDHM Cc1c(NC(=O)CCc2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822068956 607266256 /nfs/dbraw/zinc/26/62/56/607266256.db2.gz XMNMLGJWDXZXKG-UHFFFAOYSA-N -1 3 352.354 2.655 20 5 FFBDHM Cc1c(NC(=O)CCc2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822068956 607266257 /nfs/dbraw/zinc/26/62/57/607266257.db2.gz XMNMLGJWDXZXKG-UHFFFAOYSA-N -1 3 352.354 2.655 20 5 FFBDHM Cc1nn(CCOc2ccccc2-c2nnn[n-]2)c2ccc([N+](=O)[O-])cc12 ZINC000822500863 607304669 /nfs/dbraw/zinc/30/46/69/607304669.db2.gz JWDNXSPRKGAWCT-UHFFFAOYSA-N -1 3 365.353 2.512 20 5 FFBDHM Cc1nn(CCOc2ccccc2-c2nn[n-]n2)c2ccc([N+](=O)[O-])cc12 ZINC000822500863 607304670 /nfs/dbraw/zinc/30/46/70/607304670.db2.gz JWDNXSPRKGAWCT-UHFFFAOYSA-N -1 3 365.353 2.512 20 5 FFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000736487919 599277407 /nfs/dbraw/zinc/27/74/07/599277407.db2.gz JVOAVLQVEQHHET-UHFFFAOYSA-N -1 3 367.369 2.849 20 5 FFBDHM CC(=O)c1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000735495867 598309699 /nfs/dbraw/zinc/30/96/99/598309699.db2.gz QGUGVJMEZQIOGX-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CC(=O)c1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000735495867 598309701 /nfs/dbraw/zinc/30/97/01/598309701.db2.gz QGUGVJMEZQIOGX-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736117575 598616376 /nfs/dbraw/zinc/61/63/76/598616376.db2.gz QGGRDPPRSXVEJE-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736117575 598616377 /nfs/dbraw/zinc/61/63/77/598616377.db2.gz QGGRDPPRSXVEJE-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCc1cccc([N+](=O)[O-])c1 ZINC000737946892 598657746 /nfs/dbraw/zinc/65/77/46/598657746.db2.gz IMORROPXYNZMEB-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCc1cccc([N+](=O)[O-])c1 ZINC000737946892 598657748 /nfs/dbraw/zinc/65/77/48/598657748.db2.gz IMORROPXYNZMEB-UHFFFAOYSA-N -1 3 371.378 2.610 20 5 FFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736298030 599325242 /nfs/dbraw/zinc/32/52/42/599325242.db2.gz OJALROLPZSMHAF-LBPRGKRZSA-N -1 3 366.381 2.605 20 5 FFBDHM C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000736298030 599325245 /nfs/dbraw/zinc/32/52/45/599325245.db2.gz OJALROLPZSMHAF-LBPRGKRZSA-N -1 3 366.381 2.605 20 5 FFBDHM Cc1ccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822238528 599481134 /nfs/dbraw/zinc/48/11/34/599481134.db2.gz LJPPANBMWGWKBE-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1ccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000822238528 599481135 /nfs/dbraw/zinc/48/11/35/599481135.db2.gz LJPPANBMWGWKBE-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000737421473 599526685 /nfs/dbraw/zinc/52/66/85/599526685.db2.gz IYRVFZDCMDRQPU-OLZOCXBDSA-N -1 3 365.397 2.861 20 5 FFBDHM Cc1ccccc1[C@H]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000737421473 599526687 /nfs/dbraw/zinc/52/66/87/599526687.db2.gz IYRVFZDCMDRQPU-OLZOCXBDSA-N -1 3 365.397 2.861 20 5 FFBDHM C[C@H]1SCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC000820818964 599564099 /nfs/dbraw/zinc/56/40/99/599564099.db2.gz CZOHHCDSTSXEMW-VHSXEESVSA-N -1 3 371.426 2.653 20 5 FFBDHM C[C@H]1SCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C ZINC000820818964 599564100 /nfs/dbraw/zinc/56/41/00/599564100.db2.gz CZOHHCDSTSXEMW-VHSXEESVSA-N -1 3 371.426 2.653 20 5 FFBDHM CC(C)(C)C[C@@H](CO)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907768 607469601 /nfs/dbraw/zinc/46/96/01/607469601.db2.gz RRQFEKHMIZIWGA-JTQLQIEISA-N -1 3 371.401 2.532 20 5 FFBDHM CC(C)(C)C[C@@H](CO)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907768 607469603 /nfs/dbraw/zinc/46/96/03/607469603.db2.gz RRQFEKHMIZIWGA-JTQLQIEISA-N -1 3 371.401 2.532 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832905882 601654952 /nfs/dbraw/zinc/65/49/52/601654952.db2.gz XTKJTMQPGBAXQQ-UGSOOPFHSA-N -1 3 371.393 2.893 20 5 FFBDHM COc1cccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826214131 607543762 /nfs/dbraw/zinc/54/37/62/607543762.db2.gz BCCVGZZIIVNFSZ-UHFFFAOYSA-N -1 3 369.385 2.568 20 5 FFBDHM COc1cccc(C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826214131 607543763 /nfs/dbraw/zinc/54/37/63/607543763.db2.gz BCCVGZZIIVNFSZ-UHFFFAOYSA-N -1 3 369.385 2.568 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000826249012 607703603 /nfs/dbraw/zinc/70/36/03/607703603.db2.gz HOPOEFZFOWJPCL-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000826249012 607703605 /nfs/dbraw/zinc/70/36/05/607703605.db2.gz HOPOEFZFOWJPCL-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM O=C([O-])[C@@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000833771677 604654672 /nfs/dbraw/zinc/65/46/72/604654672.db2.gz MKXMBBRGLJXKAJ-LBPRGKRZSA-N -1 3 356.325 2.883 20 5 FFBDHM O=C([O-])NC[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc2ccccc2c1 ZINC000834207722 605974723 /nfs/dbraw/zinc/97/47/23/605974723.db2.gz QRIYZQPEKCMNNC-KRWDZBQOSA-N -1 3 369.381 2.543 20 5 FFBDHM C[C@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000820767128 606645513 /nfs/dbraw/zinc/64/55/13/606645513.db2.gz GKTCOXQEVQFTTB-SJCJKPOMSA-N -1 3 366.381 2.741 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000823640211 606772711 /nfs/dbraw/zinc/77/27/11/606772711.db2.gz XJCQOCJGDBIBJH-UHFFFAOYSA-N -1 3 350.791 2.780 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2cc(-c3nn[n-]n3)cs2)c1 ZINC000823640211 606772713 /nfs/dbraw/zinc/77/27/13/606772713.db2.gz XJCQOCJGDBIBJH-UHFFFAOYSA-N -1 3 350.791 2.780 20 5 FFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000820769222 607115914 /nfs/dbraw/zinc/11/59/14/607115914.db2.gz RUGBHASMHOYLLA-BMIGLBTASA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000820769222 607115916 /nfs/dbraw/zinc/11/59/16/607115916.db2.gz RUGBHASMHOYLLA-BMIGLBTASA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@@H]1COc2ccccc21 ZINC000824657518 607850230 /nfs/dbraw/zinc/85/02/30/607850230.db2.gz QSTBTSYJICTBGK-HZMBPMFUSA-N -1 3 352.354 2.752 20 5 FFBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000824657518 607850231 /nfs/dbraw/zinc/85/02/31/607850231.db2.gz QSTBTSYJICTBGK-HZMBPMFUSA-N -1 3 352.354 2.752 20 5 FFBDHM O=[N+]([O-])c1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826498738 607931380 /nfs/dbraw/zinc/93/13/80/607931380.db2.gz HRDOOHRFSAHKMU-UHFFFAOYSA-N -1 3 367.394 2.534 20 5 FFBDHM O=[N+]([O-])c1ccc(NC(=S)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826498738 607931381 /nfs/dbraw/zinc/93/13/81/607931381.db2.gz HRDOOHRFSAHKMU-UHFFFAOYSA-N -1 3 367.394 2.534 20 5 FFBDHM O=[N+]([O-])c1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826498237 608130943 /nfs/dbraw/zinc/13/09/43/608130943.db2.gz MKNLWQDCYCKUQY-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM O=[N+]([O-])c1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000826498237 608130944 /nfs/dbraw/zinc/13/09/44/608130944.db2.gz MKNLWQDCYCKUQY-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM CO[C@@H]1CCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826145947 608414843 /nfs/dbraw/zinc/41/48/43/608414843.db2.gz NWIMZBYPRNHYAB-MEBBXXQBSA-N -1 3 369.385 2.550 20 5 FFBDHM CO[C@@H]1CCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826145947 608414845 /nfs/dbraw/zinc/41/48/45/608414845.db2.gz NWIMZBYPRNHYAB-MEBBXXQBSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824507736 608478764 /nfs/dbraw/zinc/47/87/64/608478764.db2.gz YBHIPUOKPRADLP-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824507736 608478766 /nfs/dbraw/zinc/47/87/66/608478766.db2.gz YBHIPUOKPRADLP-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)s1 ZINC000826498886 609167234 /nfs/dbraw/zinc/16/72/34/609167234.db2.gz NJXVYILOWFULFP-UHFFFAOYSA-N -1 3 368.382 2.839 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)s1 ZINC000826498886 609167235 /nfs/dbraw/zinc/16/72/35/609167235.db2.gz NJXVYILOWFULFP-UHFFFAOYSA-N -1 3 368.382 2.839 20 5 FFBDHM Cc1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000826270845 609245029 /nfs/dbraw/zinc/24/50/29/609245029.db2.gz RCCYACMBAUQRKD-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1[N+](=O)[O-] ZINC000826270845 609245031 /nfs/dbraw/zinc/24/50/31/609245031.db2.gz RCCYACMBAUQRKD-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC23CCOCC3)c(Cl)c1 ZINC000867777477 731223887 /nfs/dbraw/zinc/22/38/87/731223887.db2.gz STAVYVORYVIWBG-LLVKDONJSA-N -1 3 374.846 2.733 20 5 FFBDHM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCCC1 ZINC000742282124 735218878 /nfs/dbraw/zinc/21/88/78/735218878.db2.gz MDLQILSLZFPYJW-UHFFFAOYSA-N -1 3 363.233 2.968 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc([O-])c(Cl)c2)cc1 ZINC000757955771 736439582 /nfs/dbraw/zinc/43/95/82/736439582.db2.gz FEBVHDYBEZWIHQ-UHFFFAOYSA-N -1 3 370.814 2.517 20 5 FFBDHM CCOC(=O)c1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000759132841 736549699 /nfs/dbraw/zinc/54/96/99/736549699.db2.gz HCANLBOWFLQSRR-UHFFFAOYSA-N -1 3 356.747 2.529 20 5 FFBDHM CCCN(CCN1CCCCC1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910363857 737063663 /nfs/dbraw/zinc/06/36/63/737063663.db2.gz QHLHICRDSRMWAA-UHFFFAOYSA-N -1 3 350.419 2.699 20 5 FFBDHM COc1ccc(C2([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000768838377 737464698 /nfs/dbraw/zinc/46/46/98/737464698.db2.gz SRYNRALWYRPHJJ-UHFFFAOYSA-N -1 3 354.409 2.633 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 ZINC000808342336 741216219 /nfs/dbraw/zinc/21/62/19/741216219.db2.gz LGNDONIJGPPSOB-BMIGLBTASA-N -1 3 370.814 2.649 20 5 FFBDHM C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820460919 742507866 /nfs/dbraw/zinc/50/78/66/742507866.db2.gz CPHNZAKSBNZZMG-QMMMGPOBSA-N -1 3 356.371 2.657 20 5 FFBDHM C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820460919 742507868 /nfs/dbraw/zinc/50/78/68/742507868.db2.gz CPHNZAKSBNZZMG-QMMMGPOBSA-N -1 3 356.371 2.657 20 5 FFBDHM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853233734 750034635 /nfs/dbraw/zinc/03/46/35/750034635.db2.gz JYYGTDQLHLTVHU-LLVKDONJSA-N -1 3 352.391 2.897 20 5 FFBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000853327893 750048693 /nfs/dbraw/zinc/04/86/93/750048693.db2.gz FZEPZONKDQVDPY-PHIMTYICSA-N -1 3 352.391 2.530 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](COc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826498323 948413369 /nfs/dbraw/zinc/41/33/69/948413369.db2.gz PREJMCOMJOGXRG-CYBMUJFWSA-N -1 3 366.381 2.680 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](COc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826498323 948413372 /nfs/dbraw/zinc/41/33/72/948413372.db2.gz PREJMCOMJOGXRG-CYBMUJFWSA-N -1 3 366.381 2.680 20 5 FFBDHM Cc1nc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)[nH]c1C ZINC000729526144 967710922 /nfs/dbraw/zinc/71/09/22/967710922.db2.gz UUBAVVBDAYMNIT-UHFFFAOYSA-N -1 3 353.338 2.955 20 5 FFBDHM Cc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000178159193 969466274 /nfs/dbraw/zinc/46/62/74/969466274.db2.gz DMHGBZNIFYLEMN-ZDUSSCGKSA-N -1 3 357.366 2.521 20 5 FFBDHM C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000913298930 984229477 /nfs/dbraw/zinc/22/94/77/984229477.db2.gz TYHMVPXZAMHOAE-SNVBAGLBSA-N -1 3 370.321 2.762 20 5 FFBDHM C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000913298930 984229482 /nfs/dbraw/zinc/22/94/82/984229482.db2.gz TYHMVPXZAMHOAE-SNVBAGLBSA-N -1 3 370.321 2.762 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913295121 984234674 /nfs/dbraw/zinc/23/46/74/984234674.db2.gz CLIXDDKAPSHXHK-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913295121 984234679 /nfs/dbraw/zinc/23/46/79/984234679.db2.gz CLIXDDKAPSHXHK-UHFFFAOYSA-N -1 3 370.321 2.682 20 5 FFBDHM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N-]C(=O)c1cccs1 ZINC000919212013 990591116 /nfs/dbraw/zinc/59/11/16/990591116.db2.gz QBZNAHLSFZVXMF-UHFFFAOYSA-N -1 3 374.330 2.516 20 5 FFBDHM CN(C)[C@@H]1CCOc2c(Nc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cccc21 ZINC001598194335 990800563 /nfs/dbraw/zinc/80/05/63/990800563.db2.gz ZKCGFCUXMOFFHG-CYBMUJFWSA-N -1 3 358.354 2.817 20 5 FFBDHM CN(C)[C@H]1CCOc2c(Nc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cccc21 ZINC001598194336 990800583 /nfs/dbraw/zinc/80/05/83/990800583.db2.gz ZKCGFCUXMOFFHG-ZDUSSCGKSA-N -1 3 358.354 2.817 20 5 FFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n[n-]c21 ZINC000808674288 994216512 /nfs/dbraw/zinc/21/65/12/994216512.db2.gz PPBOCNBZIIXABJ-UHFFFAOYSA-N -1 3 372.293 2.745 20 5 FFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[n-]nc21 ZINC000808674288 994216523 /nfs/dbraw/zinc/21/65/23/994216523.db2.gz PPBOCNBZIIXABJ-UHFFFAOYSA-N -1 3 372.293 2.745 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1[N+](=O)[O-] ZINC001132783511 995127947 /nfs/dbraw/zinc/12/79/47/995127947.db2.gz LDVRXWDUNRGWBL-UHFFFAOYSA-N -1 3 356.382 2.981 20 5 FFBDHM COc1c([O-])ccc(C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599344404 997977686 /nfs/dbraw/zinc/97/76/86/997977686.db2.gz HXOSPPBEADXRCW-IUODEOHRSA-N -1 3 374.393 2.731 20 5 FFBDHM CCc1ccc([O-])c(C(=O)N[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1 ZINC001170357089 1003123099 /nfs/dbraw/zinc/12/30/99/1003123099.db2.gz JLGPFLNHVZWJDD-LJQANCHMSA-N -1 3 372.377 2.681 20 5 FFBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001186800328 1003414684 /nfs/dbraw/zinc/41/46/84/1003414684.db2.gz OVXITGYOCCSGGG-GFCCVEGCSA-N -1 3 361.489 2.508 20 5 FFBDHM C[C@@H]1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)C[C@H](C)O1 ZINC000747473970 1004791910 /nfs/dbraw/zinc/79/19/10/1004791910.db2.gz BNVLMOQAJPNUCS-TXEJJXNPSA-N -1 3 372.381 2.561 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C(C)C ZINC001187744735 1006228994 /nfs/dbraw/zinc/22/89/94/1006228994.db2.gz JRLILCVEAUMFAR-AWEZNQCLSA-N -1 3 362.423 2.772 20 5 FFBDHM CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])N(C)C)cc1 ZINC001135714551 1007236372 /nfs/dbraw/zinc/23/63/72/1007236372.db2.gz LFQPLKGXUAVFIW-QGZVFWFLSA-N -1 3 357.410 2.896 20 5 FFBDHM COc1ccc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)cc1 ZINC001212837445 1009474407 /nfs/dbraw/zinc/47/44/07/1009474407.db2.gz LKJQQPALFVKAEJ-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM COc1ccc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)cc1 ZINC001212837445 1009474415 /nfs/dbraw/zinc/47/44/15/1009474415.db2.gz LKJQQPALFVKAEJ-UHFFFAOYSA-N -1 3 366.131 2.806 20 5 FFBDHM Cc1cccnc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212838463 1009483426 /nfs/dbraw/zinc/48/34/26/1009483426.db2.gz SJKMWTIPHFQOJH-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1cccnc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212838463 1009483432 /nfs/dbraw/zinc/48/34/32/1009483432.db2.gz SJKMWTIPHFQOJH-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM COc1c(F)c(F)ccc1-c1noc(-c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001212843828 1009542821 /nfs/dbraw/zinc/54/28/21/1009542821.db2.gz DWLOLGFFZOJQGC-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)OCc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000726202762 1020432209 /nfs/dbraw/zinc/43/22/09/1020432209.db2.gz FIBXJHAZWPBPBL-UHFFFAOYSA-N -1 3 372.377 2.781 20 5 FFBDHM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(OC)c([O-])cc1[N+](=O)[O-])N2 ZINC000726605537 1020492829 /nfs/dbraw/zinc/49/28/29/1020492829.db2.gz RZKHESMGBVMWAG-INIZCTEOSA-N -1 3 359.338 2.514 20 5 FFBDHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000778035300 1020615089 /nfs/dbraw/zinc/61/50/89/1020615089.db2.gz LQVHQRRBVMFYSJ-CQSZACIVSA-N -1 3 370.352 2.925 20 5 FFBDHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001116421018 1021209308 /nfs/dbraw/zinc/20/93/08/1021209308.db2.gz GJXJDZSOIORWGW-UHFFFAOYSA-N -1 3 356.382 2.523 20 5 FFBDHM C/C(=C/C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000752343815 1023122496 /nfs/dbraw/zinc/12/24/96/1023122496.db2.gz AFRINVSKPDOTGE-LUAWRHEFSA-N -1 3 374.374 2.559 20 5 FFBDHM Cn1c(-c2cc([N+](=O)[O-])c[n-]c2=O)nnc1N1CCC[C@H]1c1cccs1 ZINC001122912797 1023549315 /nfs/dbraw/zinc/54/93/15/1023549315.db2.gz XSJGYBDODUAJBH-LBPRGKRZSA-N -1 3 372.410 2.894 20 5 FFBDHM CC(C)(N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000079388961 1024256742 /nfs/dbraw/zinc/25/67/42/1024256742.db2.gz LXZRLAOYSANNHH-LFIBNONCSA-N -1 3 351.362 2.731 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000797475967 1031121903 /nfs/dbraw/zinc/12/19/03/1031121903.db2.gz JCNBTZGSNDWVNJ-UHFFFAOYSA-N -1 3 363.322 2.683 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225662123 1034354428 /nfs/dbraw/zinc/35/44/28/1034354428.db2.gz QTVBQGZDJPAMBG-NSHDSACASA-N -1 3 353.375 2.864 20 5 FFBDHM CCOC(=O)[C@@H](C)[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(F)(F)F ZINC001228686137 1036256792 /nfs/dbraw/zinc/25/67/92/1036256792.db2.gz LRISSHIUIBSMHO-UPONEAKYSA-N -1 3 352.265 2.513 20 5 FFBDHM O=c1nc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c([n-]1)CCS2 ZINC001230790346 1037359311 /nfs/dbraw/zinc/35/93/11/1037359311.db2.gz KITNARWWNYBWTD-UHFFFAOYSA-N -1 3 374.422 2.786 20 5 FFBDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001231072252 1037456369 /nfs/dbraw/zinc/45/63/69/1037456369.db2.gz AUXFTJCFZKNBMP-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@@H](Oc1cccc(-c2nnn[n-]2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001231119058 1037477897 /nfs/dbraw/zinc/47/78/97/1037477897.db2.gz YGQXTYVAOUMCQL-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@@H](Oc1cccc(-c2nn[n-]n2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001231119058 1037477903 /nfs/dbraw/zinc/47/79/03/1037477903.db2.gz YGQXTYVAOUMCQL-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001539569951 1070661898 /nfs/dbraw/zinc/66/18/98/1070661898.db2.gz QFERWPSDEWJPAI-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001539569951 1070661903 /nfs/dbraw/zinc/66/19/03/1070661903.db2.gz QFERWPSDEWJPAI-UHFFFAOYSA-N -1 3 356.367 2.749 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)c(Cl)c1 ZINC001333161657 1048738507 /nfs/dbraw/zinc/73/85/07/1048738507.db2.gz CZTOVSTXVPAKIF-UHFFFAOYSA-N -1 3 352.746 2.714 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[n-]n1 ZINC001295913888 1049999435 /nfs/dbraw/zinc/99/94/35/1049999435.db2.gz VPUOCYIQGXTATG-UHFFFAOYSA-N -1 3 366.761 2.719 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC001295913888 1049999436 /nfs/dbraw/zinc/99/94/36/1049999436.db2.gz VPUOCYIQGXTATG-UHFFFAOYSA-N -1 3 366.761 2.719 20 5 FFBDHM COc1c([O-])ccc(CN2CCCN2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001308760142 1052496131 /nfs/dbraw/zinc/49/61/31/1052496131.db2.gz GPVYBTDATVFXCA-UHFFFAOYSA-N -1 3 353.375 2.667 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])s1 ZINC001309203028 1052573751 /nfs/dbraw/zinc/57/37/51/1052573751.db2.gz ZAHOPZXSVRFQEY-STQMWFEESA-N -1 3 352.437 2.874 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001309297860 1052594133 /nfs/dbraw/zinc/59/41/33/1052594133.db2.gz VVTULICBFJVRSD-JTQLQIEISA-N -1 3 368.436 2.905 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001544710997 1071681189 /nfs/dbraw/zinc/68/11/89/1071681189.db2.gz NSLNFTISGPVKPP-UHFFFAOYSA-N -1 3 359.220 2.508 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[n-]n1 ZINC001456339836 1060092832 /nfs/dbraw/zinc/09/28/32/1060092832.db2.gz ZHHUEUZCBNIDBJ-UHFFFAOYSA-N -1 3 366.761 2.718 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC001456339836 1060092852 /nfs/dbraw/zinc/09/28/52/1060092852.db2.gz ZHHUEUZCBNIDBJ-UHFFFAOYSA-N -1 3 366.761 2.718 20 5 FFBDHM C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001456381743 1060108708 /nfs/dbraw/zinc/10/87/08/1060108708.db2.gz HVHSEWRFRSIZQG-RXMQYKEDSA-N -1 3 363.683 2.876 20 5 FFBDHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCc1c(F)cc([O-])cc1F ZINC001458646915 1060640575 /nfs/dbraw/zinc/64/05/75/1060640575.db2.gz LXADWBYGOPBZKV-UHFFFAOYSA-N -1 3 366.246 2.986 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001463605941 1062177832 /nfs/dbraw/zinc/17/78/32/1062177832.db2.gz QSMYPBVLCCIGQZ-LLVKDONJSA-N -1 3 362.423 2.508 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCC2)O1 ZINC001464358689 1062567790 /nfs/dbraw/zinc/56/77/90/1062567790.db2.gz ZUQPJXMNGXIBFS-LLVKDONJSA-N -1 3 360.819 2.628 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCC3)CO2)c(F)cc1[N+](=O)[O-] ZINC001464527485 1062666238 /nfs/dbraw/zinc/66/62/38/1062666238.db2.gz DFSNNXUTRPGLGG-LBPRGKRZSA-N -1 3 372.418 2.670 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC001436648080 1062758312 /nfs/dbraw/zinc/75/83/12/1062758312.db2.gz DZJMSOUGSWRPPJ-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1F ZINC001436648080 1062758336 /nfs/dbraw/zinc/75/83/36/1062758336.db2.gz DZJMSOUGSWRPPJ-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@@H](Cc1cccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464782053 1062817844 /nfs/dbraw/zinc/81/78/44/1062817844.db2.gz LQAUEBKMPMDYCV-JTQLQIEISA-N -1 3 355.803 2.553 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469324465 1064127758 /nfs/dbraw/zinc/12/77/58/1064127758.db2.gz WHEVZHZSPHWBPP-UHFFFAOYSA-N -1 3 361.358 2.567 20 5 FFBDHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469324465 1064127763 /nfs/dbraw/zinc/12/77/63/1064127763.db2.gz WHEVZHZSPHWBPP-UHFFFAOYSA-N -1 3 361.358 2.567 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001470698004 1064414462 /nfs/dbraw/zinc/41/44/62/1064414462.db2.gz NSWGYCKRNFQUAF-TWGQIWQCSA-N -1 3 354.366 2.688 20 5 FFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001470701952 1064415558 /nfs/dbraw/zinc/41/55/58/1064415558.db2.gz XCLKKTPQFVCZPO-UHFFFAOYSA-N -1 3 372.381 2.687 20 5 FFBDHM C[C@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC001575793836 1078168969 /nfs/dbraw/zinc/16/89/69/1078168969.db2.gz VFDFKCQKYIIRTC-GOSISDBHSA-N -1 3 366.381 2.675 20 5 FFBDHM C[C@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC001575793836 1078168971 /nfs/dbraw/zinc/16/89/71/1078168971.db2.gz VFDFKCQKYIIRTC-GOSISDBHSA-N -1 3 366.381 2.675 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)n1 ZINC001472877107 1065164700 /nfs/dbraw/zinc/16/47/00/1065164700.db2.gz CMGNAJOTJBUSGS-CYBMUJFWSA-N -1 3 366.381 2.638 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC001474993140 1065665688 /nfs/dbraw/zinc/66/56/88/1065665688.db2.gz KDOHQLHFHYXTMG-TVQRCGJNSA-N -1 3 374.415 2.504 20 5 FFBDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001578174092 1078447193 /nfs/dbraw/zinc/44/71/93/1078447193.db2.gz BUOKDPQFYUIYPY-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC001578174092 1078447195 /nfs/dbraw/zinc/44/71/95/1078447195.db2.gz BUOKDPQFYUIYPY-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC001580049626 1078738994 /nfs/dbraw/zinc/73/89/94/1078738994.db2.gz MGDAIFNUWZRSJT-UHFFFAOYSA-N -1 3 371.353 2.631 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC001580049626 1078738998 /nfs/dbraw/zinc/73/89/98/1078738998.db2.gz MGDAIFNUWZRSJT-UHFFFAOYSA-N -1 3 371.353 2.631 20 5 FFBDHM Cc1noc(C)c1C[C@@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581630022 1078981930 /nfs/dbraw/zinc/98/19/30/1078981930.db2.gz SHBTXMNJSDOASA-SSDOTTSWSA-N -1 3 361.337 2.562 20 5 FFBDHM Cc1noc(C)c1C[C@@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581630022 1078981940 /nfs/dbraw/zinc/98/19/40/1078981940.db2.gz SHBTXMNJSDOASA-SSDOTTSWSA-N -1 3 361.337 2.562 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@H]1OCCc2ccccc21 ZINC001582804081 1079110653 /nfs/dbraw/zinc/11/06/53/1079110653.db2.gz HZYLLRITEZWMEU-QGZVFWFLSA-N -1 3 366.381 2.891 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@H]1OCCc2ccccc21 ZINC001582804081 1079110657 /nfs/dbraw/zinc/11/06/57/1079110657.db2.gz HZYLLRITEZWMEU-QGZVFWFLSA-N -1 3 366.381 2.891 20 5 FFBDHM COC(=O)Cc1ccc(NCCc2c(F)cc([O-])cc2F)c([N+](=O)[O-])c1 ZINC001559287589 1076146054 /nfs/dbraw/zinc/14/60/54/1076146054.db2.gz XAABOLKMKSJRAT-UHFFFAOYSA-N -1 3 366.320 2.949 20 5 FFBDHM CCc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCO2 ZINC001561452415 1076378654 /nfs/dbraw/zinc/37/86/54/1076378654.db2.gz ANDYPOJAZVMEBQ-AWEZNQCLSA-N -1 3 362.407 2.959 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588770018 1080187094 /nfs/dbraw/zinc/18/70/94/1080187094.db2.gz DEDLVMSAQBOBTN-KHPPLWFESA-N -1 3 351.322 2.784 20 5 FFBDHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588770018 1080187098 /nfs/dbraw/zinc/18/70/98/1080187098.db2.gz DEDLVMSAQBOBTN-KHPPLWFESA-N -1 3 351.322 2.784 20 5 FFBDHM CC(=O)c1ccc(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c([N+](=O)[O-])c1 ZINC001588915918 1080263250 /nfs/dbraw/zinc/26/32/50/1080263250.db2.gz XETHCMXEYUFRRF-HNNXBMFYSA-N -1 3 364.365 2.557 20 5 FFBDHM CC(=O)c1ccc(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c([N+](=O)[O-])c1 ZINC001588915918 1080263258 /nfs/dbraw/zinc/26/32/58/1080263258.db2.gz XETHCMXEYUFRRF-HNNXBMFYSA-N -1 3 364.365 2.557 20 5 FFBDHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001589189334 1080405927 /nfs/dbraw/zinc/40/59/27/1080405927.db2.gz XJYGAEWAFGUHRO-NEPJUHHUSA-N -1 3 374.401 2.697 20 5 FFBDHM CC(C)(C)OC(=O)[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001589189334 1080405931 /nfs/dbraw/zinc/40/59/31/1080405931.db2.gz XJYGAEWAFGUHRO-NEPJUHHUSA-N -1 3 374.401 2.697 20 5 FFBDHM CC(C)(C)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC001589228640 1080433546 /nfs/dbraw/zinc/43/35/46/1080433546.db2.gz XHPKKBBYUWCKLA-UHFFFAOYSA-N -1 3 369.385 2.785 20 5 FFBDHM CC(C)(C)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC001589228640 1080433555 /nfs/dbraw/zinc/43/35/55/1080433555.db2.gz XHPKKBBYUWCKLA-UHFFFAOYSA-N -1 3 369.385 2.785 20 5 FFBDHM CC(C)OC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCCC1 ZINC001589737829 1080695103 /nfs/dbraw/zinc/69/51/03/1080695103.db2.gz OKGLWMXZKAPLAZ-UHFFFAOYSA-N -1 3 361.406 2.710 20 5 FFBDHM CC(C)OC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCCC1 ZINC001589737829 1080695109 /nfs/dbraw/zinc/69/51/09/1080695109.db2.gz OKGLWMXZKAPLAZ-UHFFFAOYSA-N -1 3 361.406 2.710 20 5 FFBDHM CC(C)OCc1cccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001589750085 1080701876 /nfs/dbraw/zinc/70/18/76/1080701876.db2.gz VFKYMSGKURLLNG-UHFFFAOYSA-N -1 3 355.358 2.839 20 5 FFBDHM CC(C)OCc1cccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001589750085 1080701884 /nfs/dbraw/zinc/70/18/84/1080701884.db2.gz VFKYMSGKURLLNG-UHFFFAOYSA-N -1 3 355.358 2.839 20 5 FFBDHM CC(C)n1cc(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001589781579 1080736148 /nfs/dbraw/zinc/73/61/48/1080736148.db2.gz ANYBCZATKTZKIX-UHFFFAOYSA-N -1 3 365.357 2.844 20 5 FFBDHM CC(C)n1cc(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC001589781579 1080736155 /nfs/dbraw/zinc/73/61/55/1080736155.db2.gz ANYBCZATKTZKIX-UHFFFAOYSA-N -1 3 365.357 2.844 20 5 FFBDHM C[C@H](CCCc1cccnc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589820611 1080772593 /nfs/dbraw/zinc/77/25/93/1080772593.db2.gz KCPIZSLGFBDGLA-GFCCVEGCSA-N -1 3 353.386 2.993 20 5 FFBDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589876797 1080825045 /nfs/dbraw/zinc/82/50/45/1080825045.db2.gz SMAPPXOOZBSTJB-SNVBAGLBSA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001589876797 1080825053 /nfs/dbraw/zinc/82/50/53/1080825053.db2.gz SMAPPXOOZBSTJB-SNVBAGLBSA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@H](COc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001589887443 1080834613 /nfs/dbraw/zinc/83/46/13/1080834613.db2.gz WMCOFKFUQXSZKK-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](COc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001589887443 1080834620 /nfs/dbraw/zinc/83/46/20/1080834620.db2.gz WMCOFKFUQXSZKK-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589937225 1080881454 /nfs/dbraw/zinc/88/14/54/1080881454.db2.gz NSDBPZXUBQATSP-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589937225 1080881461 /nfs/dbraw/zinc/88/14/61/1080881461.db2.gz NSDBPZXUBQATSP-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589990842 1080925018 /nfs/dbraw/zinc/92/50/18/1080925018.db2.gz LGZIDEHFGQYSJB-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589990842 1080925027 /nfs/dbraw/zinc/92/50/27/1080925027.db2.gz LGZIDEHFGQYSJB-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@H](SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033037 1080958966 /nfs/dbraw/zinc/95/89/66/1080958966.db2.gz IKGWRUJQXHLFIF-VIFPVBQESA-N -1 3 365.415 2.738 20 5 FFBDHM C[C@H](SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033037 1080958972 /nfs/dbraw/zinc/95/89/72/1080958972.db2.gz IKGWRUJQXHLFIF-VIFPVBQESA-N -1 3 365.415 2.738 20 5 FFBDHM CCOCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162903472 251160192 /nfs/dbraw/zinc/16/01/92/251160192.db2.gz AXISKZHGCBSFKW-UHFFFAOYSA-N -1 3 370.349 2.709 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000192616707 251294902 /nfs/dbraw/zinc/29/49/02/251294902.db2.gz DAWBEFRTVDMULL-ZJUUUORDSA-N -1 3 352.334 2.994 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000272437160 252037568 /nfs/dbraw/zinc/03/75/68/252037568.db2.gz HTZMAIPDEWHWAY-WDEREUQCSA-N -1 3 362.835 2.650 20 5 FFBDHM Cc1ccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000273527343 252325093 /nfs/dbraw/zinc/32/50/93/252325093.db2.gz QXPPGRZLRMFJMW-NSHDSACASA-N -1 3 368.390 2.870 20 5 FFBDHM Cc1ccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000273527343 252325097 /nfs/dbraw/zinc/32/50/97/252325097.db2.gz QXPPGRZLRMFJMW-NSHDSACASA-N -1 3 368.390 2.870 20 5 FFBDHM O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000279198204 256392263 /nfs/dbraw/zinc/39/22/63/256392263.db2.gz KNQQZDOGTVHCNG-AMIZOPFISA-N -1 3 373.287 2.985 20 5 FFBDHM O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000279198204 256392265 /nfs/dbraw/zinc/39/22/65/256392265.db2.gz KNQQZDOGTVHCNG-AMIZOPFISA-N -1 3 373.287 2.985 20 5 FFBDHM Cc1cc(NCCNC(=O)c2ccc([O-])cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302191904 258094100 /nfs/dbraw/zinc/09/41/00/258094100.db2.gz RISNFESDPLFHKZ-UHFFFAOYSA-N -1 3 366.377 2.999 20 5 FFBDHM COCc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)cs1 ZINC000065051956 506254513 /nfs/dbraw/zinc/25/45/13/506254513.db2.gz GCMDEWOTAUFLQD-UHFFFAOYSA-N -1 3 365.367 2.611 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000409887617 512160920 /nfs/dbraw/zinc/16/09/20/512160920.db2.gz OPEDMVBJGPGDKV-UHFFFAOYSA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000409900416 512163443 /nfs/dbraw/zinc/16/34/43/512163443.db2.gz ANNAXGYAFQWHSS-HNNXBMFYSA-N -1 3 354.428 2.531 20 5 FFBDHM COc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1NC(C)=O ZINC000053629830 506418860 /nfs/dbraw/zinc/41/88/60/506418860.db2.gz ZZOSHSBLYZKYSH-UHFFFAOYSA-N -1 3 369.337 2.690 20 5 FFBDHM COc1cc(CCNC(=O)c2cc(C)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000011080837 506763971 /nfs/dbraw/zinc/76/39/71/506763971.db2.gz QEKXTEFEJKGEQB-UHFFFAOYSA-N -1 3 360.366 2.599 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000056008121 506909963 /nfs/dbraw/zinc/90/99/63/506909963.db2.gz SOIUBYQAKGVKNE-VIFPVBQESA-N -1 3 368.342 2.502 20 5 FFBDHM Cc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c([O-])c1 ZINC000017410494 507124283 /nfs/dbraw/zinc/12/42/83/507124283.db2.gz VNCHXKNCUDBVMT-UHFFFAOYSA-N -1 3 371.349 2.936 20 5 FFBDHM Cc1nccn1-c1ncccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000057222551 507211741 /nfs/dbraw/zinc/21/17/41/507211741.db2.gz CBKQRVBWZIYIBN-UHFFFAOYSA-N -1 3 363.337 2.613 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)cc1C ZINC000060499163 507553178 /nfs/dbraw/zinc/55/31/78/507553178.db2.gz KUXQJJOFGFNMRT-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM COC(=O)c1ccc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000028062909 507706085 /nfs/dbraw/zinc/70/60/85/507706085.db2.gz UWLDTISLFGQUJX-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000072083446 507747005 /nfs/dbraw/zinc/74/70/05/507747005.db2.gz GOJBVOCKUDOIEM-INIZCTEOSA-N -1 3 369.377 2.852 20 5 FFBDHM COCCOc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000029214425 507768504 /nfs/dbraw/zinc/76/85/04/507768504.db2.gz VCBZRZVXNOEHJP-UHFFFAOYSA-N -1 3 356.338 2.749 20 5 FFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000092645132 508089515 /nfs/dbraw/zinc/08/95/15/508089515.db2.gz ASESHHHWWALVBL-UHFFFAOYSA-N -1 3 370.453 2.834 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1 ZINC000076308768 508185249 /nfs/dbraw/zinc/18/52/49/508185249.db2.gz XZJFQVAQIJXJFU-SNVBAGLBSA-N -1 3 361.217 2.744 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000156675211 508460639 /nfs/dbraw/zinc/46/06/39/508460639.db2.gz UULJPSMVWTWOMK-CJNGLKHVSA-N -1 3 355.394 2.551 20 5 FFBDHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000117113740 508579883 /nfs/dbraw/zinc/57/98/83/508579883.db2.gz RIFZRIFMIQLMAC-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157687460 508598239 /nfs/dbraw/zinc/59/82/39/508598239.db2.gz WFBIGWKKRUBYNO-UHFFFAOYSA-N -1 3 371.437 2.937 20 5 FFBDHM Cc1ccc(-c2nnc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)[n-]2)o1 ZINC000123010979 508622677 /nfs/dbraw/zinc/62/26/77/508622677.db2.gz JSQAMCKJTONMFK-UHFFFAOYSA-N -1 3 366.337 2.944 20 5 FFBDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)o1 ZINC000123010979 508622679 /nfs/dbraw/zinc/62/26/79/508622679.db2.gz JSQAMCKJTONMFK-UHFFFAOYSA-N -1 3 366.337 2.944 20 5 FFBDHM Cc1ccc(-c2nc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n[n-]2)o1 ZINC000123010979 508622681 /nfs/dbraw/zinc/62/26/81/508622681.db2.gz JSQAMCKJTONMFK-UHFFFAOYSA-N -1 3 366.337 2.944 20 5 FFBDHM C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CN1Cc1ccccc1 ZINC000137882110 508766159 /nfs/dbraw/zinc/76/61/59/508766159.db2.gz GQRLLNBHDPFYAT-XJKSGUPXSA-N -1 3 355.394 2.693 20 5 FFBDHM COc1cc(CNc2nncn2Cc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000159013418 508780932 /nfs/dbraw/zinc/78/09/32/508780932.db2.gz KXZIDWQKQOFKPE-UHFFFAOYSA-N -1 3 355.354 2.561 20 5 FFBDHM COc1cc(OC)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000151031098 508943396 /nfs/dbraw/zinc/94/33/96/508943396.db2.gz QSNWVPRPDYUVGS-UHFFFAOYSA-N -1 3 360.301 2.880 20 5 FFBDHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000131980994 508987169 /nfs/dbraw/zinc/98/71/69/508987169.db2.gz CUZFCWBSALPQBR-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120630510 509035162 /nfs/dbraw/zinc/03/51/62/509035162.db2.gz MESNGYBATRFDSX-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120630510 509035166 /nfs/dbraw/zinc/03/51/66/509035166.db2.gz MESNGYBATRFDSX-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM COc1cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)cc([N+](=O)[O-])c1C ZINC000191931557 509251250 /nfs/dbraw/zinc/25/12/50/509251250.db2.gz CLLGWQLHZVYIFO-UHFFFAOYSA-N -1 3 361.745 2.860 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc(O)c3)cs2)n1 ZINC000191956871 509262812 /nfs/dbraw/zinc/26/28/12/509262812.db2.gz LURHCGNHIFWTSS-UHFFFAOYSA-N -1 3 359.367 2.893 20 5 FFBDHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186019502 509483566 /nfs/dbraw/zinc/48/35/66/509483566.db2.gz UMYKLJCABLMWFN-KBPBESRZSA-N -1 3 360.407 2.606 20 5 FFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cs1 ZINC000267663542 509587988 /nfs/dbraw/zinc/58/79/88/509587988.db2.gz XODNUIXBKGBMRR-JTQLQIEISA-N -1 3 371.440 2.546 20 5 FFBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000173488126 509632372 /nfs/dbraw/zinc/63/23/72/509632372.db2.gz KIJKKAYLFWBJAH-AWEZNQCLSA-N -1 3 367.452 2.930 20 5 FFBDHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000179875907 509657129 /nfs/dbraw/zinc/65/71/29/509657129.db2.gz HDKHPENUMMTFCE-UKRRQHHQSA-N -1 3 356.444 2.857 20 5 FFBDHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000173623192 509680491 /nfs/dbraw/zinc/68/04/91/509680491.db2.gz NVOYNJJIVLGISP-ZDUSSCGKSA-N -1 3 350.396 2.649 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000170873891 509825132 /nfs/dbraw/zinc/82/51/32/509825132.db2.gz RJCMDACVERYTOD-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183546338 509854443 /nfs/dbraw/zinc/85/44/43/509854443.db2.gz CYIPAMZZHXLUEF-UHFFFAOYSA-N -1 3 359.791 2.640 20 5 FFBDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000186734410 509880866 /nfs/dbraw/zinc/88/08/66/509880866.db2.gz WKQODJJWBDIJHA-SNVBAGLBSA-N -1 3 355.441 2.750 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190084252 509930246 /nfs/dbraw/zinc/93/02/46/509930246.db2.gz YOWAVIMMNDANQA-NSHDSACASA-N -1 3 367.427 2.898 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(CCO)CCCCC2)c1[N+](=O)[O-] ZINC000190109467 509942824 /nfs/dbraw/zinc/94/28/24/509942824.db2.gz YCUBDCWDAJOXJK-UHFFFAOYSA-N -1 3 370.471 2.823 20 5 FFBDHM COCc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC000268500370 509972987 /nfs/dbraw/zinc/97/29/87/509972987.db2.gz RURDKHHNRAURPK-SSDOTTSWSA-N -1 3 371.806 2.632 20 5 FFBDHM O=C(Nc1nc(Cc2ccccc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193934465 510136566 /nfs/dbraw/zinc/13/65/66/510136566.db2.gz OKDGVPPYDRDVPX-UHFFFAOYSA-N -1 3 356.363 2.995 20 5 FFBDHM COC(=O)CCc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000171549222 510219708 /nfs/dbraw/zinc/21/97/08/510219708.db2.gz YXSGCNQWZAVGOR-UHFFFAOYSA-N -1 3 368.349 2.829 20 5 FFBDHM COc1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000269187793 510280814 /nfs/dbraw/zinc/28/08/14/510280814.db2.gz YTTPANAFQWYQKM-UHFFFAOYSA-N -1 3 366.395 2.596 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181232067 510312940 /nfs/dbraw/zinc/31/29/40/510312940.db2.gz BVXFSWJNFNTMDW-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM Cc1cc([N-]C(=O)COc2c(Br)cccc2[N+](=O)[O-])on1 ZINC000194612610 510445792 /nfs/dbraw/zinc/44/57/92/510445792.db2.gz GZAPTJORZPOELJ-UHFFFAOYSA-N -1 3 356.132 2.671 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1C(C)C ZINC000175132642 510496936 /nfs/dbraw/zinc/49/69/36/510496936.db2.gz GVZFOBMVGMKIRE-HIFRSBDPSA-N -1 3 356.444 2.633 20 5 FFBDHM O=c1[n-]nc(SCc2cc([N+](=O)[O-])ccc2Cl)n1C[C@H]1CCCO1 ZINC000172023106 510504836 /nfs/dbraw/zinc/50/48/36/510504836.db2.gz YZAVLMQDZYGKLZ-LLVKDONJSA-N -1 3 370.818 2.604 20 5 FFBDHM O=C([N-]c1ncn(C2CCCCC2)n1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000184904512 510574548 /nfs/dbraw/zinc/57/45/48/510574548.db2.gz BAIJGSXXDGAHFM-UHFFFAOYSA-N -1 3 355.358 2.820 20 5 FFBDHM O=C(c1c([O-])cccc1O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271398572 511190548 /nfs/dbraw/zinc/19/05/48/511190548.db2.gz VEMLJLFTLJPQBM-UHFFFAOYSA-N -1 3 358.350 2.690 20 5 FFBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000365793950 511656905 /nfs/dbraw/zinc/65/69/05/511656905.db2.gz JCECUHYUZKOAOH-UHFFFAOYSA-N -1 3 371.784 2.647 20 5 FFBDHM C[C@@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382591895 512877286 /nfs/dbraw/zinc/87/72/86/512877286.db2.gz HAWHCWKVBNHPBF-CQSZACIVSA-N -1 3 370.409 2.789 20 5 FFBDHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447021163 513383130 /nfs/dbraw/zinc/38/31/30/513383130.db2.gz PHUGWFFFXXGRAG-VIFPVBQESA-N -1 3 365.249 2.928 20 5 FFBDHM CC(C)(C)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)cc1[N+](=O)[O-] ZINC000451046226 513482153 /nfs/dbraw/zinc/48/21/53/513482153.db2.gz FQXPCZURZPSHHX-UHFFFAOYSA-N -1 3 357.413 2.855 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])c(F)cc1F ZINC000435655081 513649911 /nfs/dbraw/zinc/64/99/11/513649911.db2.gz MLLLOJKOLSRGAQ-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000451286514 513654566 /nfs/dbraw/zinc/65/45/66/513654566.db2.gz OCBVQBIJUSAPTA-CQSZACIVSA-N -1 3 365.411 2.818 20 5 FFBDHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000451291394 513657535 /nfs/dbraw/zinc/65/75/35/513657535.db2.gz OIUWQOXWYUVHOR-UHFFFAOYSA-N -1 3 365.411 2.602 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416538413 513824192 /nfs/dbraw/zinc/82/41/92/513824192.db2.gz QRJFDMCGZJXSEL-VIFPVBQESA-N -1 3 353.425 2.580 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416559407 513833680 /nfs/dbraw/zinc/83/36/80/513833680.db2.gz JVAJZWXQWJLYIN-UHFFFAOYSA-N -1 3 364.370 2.706 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c([N+](=O)[O-])c1 ZINC000451642069 513881524 /nfs/dbraw/zinc/88/15/24/513881524.db2.gz PIQNPTKNCZSBQG-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2COCc3ccccc32)c1[N+](=O)[O-] ZINC000416647134 513887131 /nfs/dbraw/zinc/88/71/31/513887131.db2.gz LWJVSFKYPDVGCD-HNNXBMFYSA-N -1 3 362.407 2.761 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000451799323 513988069 /nfs/dbraw/zinc/98/80/69/513988069.db2.gz GGDGUPKOSQGVJH-LLVKDONJSA-N -1 3 374.846 2.876 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000427615935 514265350 /nfs/dbraw/zinc/26/53/50/514265350.db2.gz RHRUREZDDDJDNX-UHFFFAOYSA-N -1 3 374.303 2.946 20 5 FFBDHM C[C@@H]1C(=O)CC[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1(C)C ZINC000444636649 514280007 /nfs/dbraw/zinc/28/00/07/514280007.db2.gz ODUDCQMTFKCKAA-BXUZGUMPSA-N -1 3 370.409 2.987 20 5 FFBDHM COC(=O)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000449756246 514339071 /nfs/dbraw/zinc/33/90/71/514339071.db2.gz PFAPLIYTRKFGNX-DLBZAZTESA-N -1 3 356.378 2.689 20 5 FFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(F)c2)cc1OC ZINC000427962684 514358003 /nfs/dbraw/zinc/35/80/03/514358003.db2.gz VARMJUQFSATGFQ-UHFFFAOYSA-N -1 3 364.329 2.777 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)c([N+](=O)[O-])c1 ZINC000438773342 514440247 /nfs/dbraw/zinc/44/02/47/514440247.db2.gz RPSLBNJRPLBHQO-UHFFFAOYSA-N -1 3 362.285 2.822 20 5 FFBDHM COc1cc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000424275080 514443366 /nfs/dbraw/zinc/44/33/66/514443366.db2.gz ZKVOWQQDUXJOGJ-XPTSAGLGSA-N -1 3 374.340 2.890 20 5 FFBDHM O=C(NCCNc1ccc([N+](=O)[O-])cc1OC(F)F)c1ccc([O-])cc1 ZINC000439061647 514488932 /nfs/dbraw/zinc/48/89/32/514488932.db2.gz ULJZNSWXFHOCSM-UHFFFAOYSA-N -1 3 367.308 2.744 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000508031458 514643876 /nfs/dbraw/zinc/64/38/76/514643876.db2.gz XVBLJHBMBFKXHZ-UHFFFAOYSA-N -1 3 361.379 2.563 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)cc1C ZINC000466532621 514678461 /nfs/dbraw/zinc/67/84/61/514678461.db2.gz UCJJLFKFNKRWAE-ZDUSSCGKSA-N -1 3 366.370 2.763 20 5 FFBDHM CC(C)c1cnc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000455776958 514731771 /nfs/dbraw/zinc/73/17/71/514731771.db2.gz PPGCSCGNEMMGOI-UHFFFAOYSA-N -1 3 369.424 2.831 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)cc1[N+](=O)[O-] ZINC000466744450 514751913 /nfs/dbraw/zinc/75/19/13/514751913.db2.gz DVMQJDSZFKIXSY-UHFFFAOYSA-N -1 3 351.409 2.925 20 5 FFBDHM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000466862674 514805403 /nfs/dbraw/zinc/80/54/03/514805403.db2.gz WGARPLVZPMZVMQ-JSGCOSHPSA-N -1 3 362.835 2.730 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(C)o1 ZINC000467055140 514880483 /nfs/dbraw/zinc/88/04/83/514880483.db2.gz ANQNSXLCAZLEAV-LLVKDONJSA-N -1 3 374.440 2.922 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000467059408 514881112 /nfs/dbraw/zinc/88/11/12/514881112.db2.gz UMLDPDKMMRJPLL-NWDGAFQWSA-N -1 3 362.473 2.835 20 5 FFBDHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000480440056 514960475 /nfs/dbraw/zinc/96/04/75/514960475.db2.gz AXXRFPQLXZMUDU-UHFFFAOYSA-N -1 3 360.407 2.608 20 5 FFBDHM CC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000480446444 514961264 /nfs/dbraw/zinc/96/12/64/514961264.db2.gz XWKMPRVQMYZQOX-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM COC(=O)c1cc(NC(=O)Cc2ccc([O-])cc2Cl)cc([N+](=O)[O-])c1 ZINC000508983539 514974345 /nfs/dbraw/zinc/97/43/45/514974345.db2.gz YDSBCRJJNKKZRF-UHFFFAOYSA-N -1 3 364.741 2.922 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])nc1OCc1ccccc1 ZINC000480580396 515006862 /nfs/dbraw/zinc/00/68/62/515006862.db2.gz QJFQOYRVVDQKRA-UHFFFAOYSA-N -1 3 352.350 2.703 20 5 FFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480702393 515050938 /nfs/dbraw/zinc/05/09/38/515050938.db2.gz VZDLTXFQWLZHSL-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000462492262 515083834 /nfs/dbraw/zinc/08/38/34/515083834.db2.gz QAQRKGXCQBGUDS-HIFRSBDPSA-N -1 3 362.407 2.513 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)cc1C ZINC000480865296 515116774 /nfs/dbraw/zinc/11/67/74/515116774.db2.gz HXYKRUHCPIUDHK-QGZVFWFLSA-N -1 3 370.471 2.821 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)c1C ZINC000480992121 515165190 /nfs/dbraw/zinc/16/51/90/515165190.db2.gz VIYXJCMUGOTKBZ-HOCLYGCPSA-N -1 3 370.471 2.941 20 5 FFBDHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000476916341 515248508 /nfs/dbraw/zinc/24/85/08/515248508.db2.gz QZQZBTSMEOQZBZ-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000509593103 515250380 /nfs/dbraw/zinc/25/03/80/515250380.db2.gz QKBKRSFHTWPWBJ-UHFFFAOYSA-N -1 3 369.830 2.863 20 5 FFBDHM CC(=C([O-])c1cnc2[nH]cccc1-2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477037749 515298345 /nfs/dbraw/zinc/29/83/45/515298345.db2.gz WSTAGPMBQLUXSR-SNVBAGLBSA-N -1 3 359.363 2.516 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000509786060 515324974 /nfs/dbraw/zinc/32/49/74/515324974.db2.gz CIYHSKGXMXMZIW-UHFFFAOYSA-N -1 3 364.423 2.877 20 5 FFBDHM O=[N+]([O-])c1cc(C[N-]S(=O)(=O)c2ccoc2)cc(C(F)(F)F)c1 ZINC000509798680 515327595 /nfs/dbraw/zinc/32/75/95/515327595.db2.gz LIFRCSGLMOVLKN-UHFFFAOYSA-N -1 3 350.274 2.685 20 5 FFBDHM Nc1cccc([N+](=O)[O-])c1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000500140459 515604398 /nfs/dbraw/zinc/60/43/98/515604398.db2.gz CBPNROJRPGQMPW-UHFFFAOYSA-N -1 3 359.292 2.520 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)CC1 ZINC000469003720 515624355 /nfs/dbraw/zinc/62/43/55/515624355.db2.gz QVIOUMNKQZMUQN-NWDGAFQWSA-N -1 3 370.427 2.629 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCCC(C)(C)C ZINC000469163931 515700776 /nfs/dbraw/zinc/70/07/76/515700776.db2.gz XJPWMXNZIUPYGO-UHFFFAOYSA-N -1 3 372.443 2.876 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000511020195 515748219 /nfs/dbraw/zinc/74/82/19/515748219.db2.gz WUGQEVROMWQDDO-NSHDSACASA-N -1 3 360.395 2.819 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1c(F)cncc1F ZINC000511025133 515750408 /nfs/dbraw/zinc/75/04/08/515750408.db2.gz DLDCJRWNOMWNJP-SECBINFHSA-N -1 3 357.338 2.616 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2c(F)cncc2F)c1C ZINC000511037411 515753163 /nfs/dbraw/zinc/75/31/63/515753163.db2.gz YUKKWBQVKHDMLJ-SNVBAGLBSA-N -1 3 371.365 2.924 20 5 FFBDHM CCCCc1nnc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)s1 ZINC000487713473 515950969 /nfs/dbraw/zinc/95/09/69/515950969.db2.gz BNDKEZZFUHZRIW-UHFFFAOYSA-N -1 3 350.356 2.770 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)cc1C ZINC000479234189 516121321 /nfs/dbraw/zinc/12/13/21/516121321.db2.gz BFMMOECZLAOZFV-LBPRGKRZSA-N -1 3 372.443 2.610 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000512150044 516174903 /nfs/dbraw/zinc/17/49/03/516174903.db2.gz XNZGVUCVEGUVDO-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000507685446 516283170 /nfs/dbraw/zinc/28/31/70/516283170.db2.gz TZWAWSJFRNHUTO-UHFFFAOYSA-N -1 3 362.396 2.714 20 5 FFBDHM CCc1ccc([O-])c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000523319462 516434655 /nfs/dbraw/zinc/43/46/55/516434655.db2.gz LLKPYHURHVLWPM-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c(Br)c1 ZINC000557849187 516469671 /nfs/dbraw/zinc/46/96/71/516469671.db2.gz MDYIMAQQOQVKFH-JGVFFNPUSA-N -1 3 367.196 2.526 20 5 FFBDHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000531851426 516675441 /nfs/dbraw/zinc/67/54/41/516675441.db2.gz ZPLZYIYMQNQLBC-GFCCVEGCSA-N -1 3 372.443 2.630 20 5 FFBDHM Cc1cc(N2CCc3c(=O)[n-]cnc3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555193246 516824477 /nfs/dbraw/zinc/82/44/77/516824477.db2.gz CXOKWKLWTOLXTL-UHFFFAOYSA-N -1 3 354.288 2.980 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000525183439 516949072 /nfs/dbraw/zinc/94/90/72/516949072.db2.gz NHZQFKLKCMSLBM-NSHDSACASA-N -1 3 370.814 2.994 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000525701978 517125617 /nfs/dbraw/zinc/12/56/17/517125617.db2.gz GCNMUSGENXPZMR-IRXDYDNUSA-N -1 3 362.407 2.612 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c1C ZINC000537565000 517233589 /nfs/dbraw/zinc/23/35/89/517233589.db2.gz RGMUDQAGWVLCNS-ZDUSSCGKSA-N -1 3 356.444 2.836 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccncc2C(=O)C(C)C)c1 ZINC000549007648 517353655 /nfs/dbraw/zinc/35/36/55/517353655.db2.gz UMCWZLANDXYKBD-UHFFFAOYSA-N -1 3 357.366 2.901 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000562908023 517491845 /nfs/dbraw/zinc/49/18/45/517491845.db2.gz XOGGBCKHGKDBJY-UHFFFAOYSA-N -1 3 356.350 2.974 20 5 FFBDHM CC(C)Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C(F)F)n1 ZINC000556565884 517494830 /nfs/dbraw/zinc/49/48/30/517494830.db2.gz IMSJQDLGVKBULY-UHFFFAOYSA-N -1 3 355.301 2.738 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000520736821 517495529 /nfs/dbraw/zinc/49/55/29/517495529.db2.gz SPEJRIFTMZMZIV-ZDUSSCGKSA-N -1 3 364.423 2.821 20 5 FFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1scnc1C(F)(F)F ZINC000553544968 517773206 /nfs/dbraw/zinc/77/32/06/517773206.db2.gz QLRQLEDWKZZBTB-UHFFFAOYSA-N -1 3 357.273 2.621 20 5 FFBDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000553571419 517790763 /nfs/dbraw/zinc/79/07/63/517790763.db2.gz KDXNGMKWKMJLSD-HWPZZCPQSA-N -1 3 366.370 2.676 20 5 FFBDHM CSc1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccn1 ZINC000538970356 517869867 /nfs/dbraw/zinc/86/98/67/517869867.db2.gz XKBXSZLZLQSDLW-UHFFFAOYSA-N -1 3 367.452 2.807 20 5 FFBDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000572969132 518445862 /nfs/dbraw/zinc/44/58/62/518445862.db2.gz LCKMPNZOURWXRO-YVEFUNNKSA-N -1 3 362.407 2.579 20 5 FFBDHM O=C([O-])[C@]1(c2ccccc2)CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000582186489 518630037 /nfs/dbraw/zinc/63/00/37/518630037.db2.gz DBKZOLXWHRTOOI-LJQANCHMSA-N -1 3 356.378 2.702 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cn2c1 ZINC000579773593 518843026 /nfs/dbraw/zinc/84/30/26/518843026.db2.gz OKGICYCXRLVJRA-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM CCCN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000582855161 518956292 /nfs/dbraw/zinc/95/62/92/518956292.db2.gz JHHWOAFGOPLSOH-UHFFFAOYSA-N -1 3 360.345 2.711 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[n-]1 ZINC000590341296 519204876 /nfs/dbraw/zinc/20/48/76/519204876.db2.gz PTLCRZXQUIBXMJ-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c[n-]1 ZINC000590341296 519204883 /nfs/dbraw/zinc/20/48/83/519204883.db2.gz PTLCRZXQUIBXMJ-UHFFFAOYSA-N -1 3 372.259 2.766 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000566271838 519404965 /nfs/dbraw/zinc/40/49/65/519404965.db2.gz ZHUINJZXUZZWFF-PBHICJAKSA-N -1 3 369.421 2.941 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 ZINC000594472844 519983052 /nfs/dbraw/zinc/98/30/52/519983052.db2.gz GRJRXJXGOYQYQV-HIFRSBDPSA-N -1 3 374.846 2.874 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC000594487225 519996838 /nfs/dbraw/zinc/99/68/38/519996838.db2.gz LTVWORZWJJAFRT-STQMWFEESA-N -1 3 362.835 2.874 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000594764351 520142375 /nfs/dbraw/zinc/14/23/75/520142375.db2.gz KXXFQFWCHFHEBQ-SNVBAGLBSA-N -1 3 371.365 2.999 20 5 FFBDHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000592084894 520170796 /nfs/dbraw/zinc/17/07/96/520170796.db2.gz MNDPLNBRUANJTE-JGZJWPJOSA-N -1 3 362.835 2.873 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000594838613 520183302 /nfs/dbraw/zinc/18/33/02/520183302.db2.gz CXLYVVJLZPNHLI-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000592382334 520359109 /nfs/dbraw/zinc/35/91/09/520359109.db2.gz MNCIWFQETCOVFI-UHFFFAOYSA-N -1 3 358.416 2.552 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000595380925 520439142 /nfs/dbraw/zinc/43/91/42/520439142.db2.gz TUBAPTGZBJFMOF-NUEKZKHPSA-N -1 3 362.382 2.659 20 5 FFBDHM Cc1oc2ncnc([N-]C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2c1C ZINC000609814104 520442777 /nfs/dbraw/zinc/44/27/77/520442777.db2.gz ATGITNZDOJENAX-UHFFFAOYSA-N -1 3 370.321 2.771 20 5 FFBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)nc2c1 ZINC000604126625 520458085 /nfs/dbraw/zinc/45/80/85/520458085.db2.gz FSCWAFZXEIANOX-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610136413 520555500 /nfs/dbraw/zinc/55/55/00/520555500.db2.gz OOAVLTXHWHJBBT-NWDGAFQWSA-N -1 3 370.427 2.613 20 5 FFBDHM COC1(C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C(=O)[O-])CCC1 ZINC000593010657 520682565 /nfs/dbraw/zinc/68/25/65/520682565.db2.gz JTXXPIAAUJNMKK-LBPRGKRZSA-N -1 3 374.340 2.698 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000610518367 520724681 /nfs/dbraw/zinc/72/46/81/520724681.db2.gz FQGFYMSDNFIIOP-SNVBAGLBSA-N -1 3 355.803 2.725 20 5 FFBDHM COc1ccc(C2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CCOCC2)cc1 ZINC000596087951 520904102 /nfs/dbraw/zinc/90/41/02/520904102.db2.gz MEEQIZBZZAFMIK-UHFFFAOYSA-N -1 3 359.382 2.864 20 5 FFBDHM Cc1ccc(C(=O)N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596107598 520916019 /nfs/dbraw/zinc/91/60/19/520916019.db2.gz YXSPEMWCZKDLRP-UHFFFAOYSA-N -1 3 356.382 2.721 20 5 FFBDHM COc1cccc([C@H](C)N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000596106403 520916544 /nfs/dbraw/zinc/91/65/44/520916544.db2.gz AQNLNOZZYALSKU-ZDUSSCGKSA-N -1 3 358.398 2.587 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000610956515 520919282 /nfs/dbraw/zinc/91/92/82/520919282.db2.gz GHVKWJCHFNLKBT-MRVPVSSYSA-N -1 3 363.233 2.682 20 5 FFBDHM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCN(Cc1ccccc1)C2 ZINC000601933058 521033831 /nfs/dbraw/zinc/03/38/31/521033831.db2.gz ARJAYHLDJDYFFP-KRWDZBQOSA-N -1 3 350.378 2.820 20 5 FFBDHM O=C1C[C@@]2(CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)Oc2ccccc21 ZINC000599140612 521050867 /nfs/dbraw/zinc/05/08/67/521050867.db2.gz WSJGDEMDFYUXTK-GOSISDBHSA-N -1 3 355.350 2.700 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)nc1 ZINC000593548587 521067442 /nfs/dbraw/zinc/06/74/42/521067442.db2.gz PIOXVZYQQFIFAM-HOCLYGCPSA-N -1 3 361.423 2.680 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)nc1 ZINC000593588917 521093771 /nfs/dbraw/zinc/09/37/71/521093771.db2.gz OHJJUGQUFXAMOM-CABCVRRESA-N -1 3 361.423 2.680 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000593623149 521114003 /nfs/dbraw/zinc/11/40/03/521114003.db2.gz JPKXLHSYWYSGNE-DGCLKSJQSA-N -1 3 360.457 2.556 20 5 FFBDHM Cn1[n-]c(=NC(=O)CSc2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000490974391 561441156 /nfs/dbraw/zinc/44/11/56/561441156.db2.gz SOBPZQLGZVPXAR-UHFFFAOYSA-N -1 3 358.326 2.661 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000473848128 561059034 /nfs/dbraw/zinc/05/90/34/561059034.db2.gz GRCJWDACFMZEBR-OAHLLOKOSA-N -1 3 368.353 2.607 20 5 FFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473850807 561059152 /nfs/dbraw/zinc/05/91/52/561059152.db2.gz PMFHYOCKBLJLRY-OAHLLOKOSA-N -1 3 355.354 2.832 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000382279532 567959876 /nfs/dbraw/zinc/95/98/76/567959876.db2.gz GPGJHSXXRMUIML-AWEZNQCLSA-N -1 3 356.382 2.622 20 5 FFBDHM O=[N+]([O-])c1cnc(Sc2nc3cc(Cl)ccc3[nH]2)c(-c2nnn[n-]2)c1 ZINC000823651787 599154103 /nfs/dbraw/zinc/15/41/03/599154103.db2.gz QJZBATZSGHVKHQ-UHFFFAOYSA-N -1 3 374.773 2.851 20 5 FFBDHM O=[N+]([O-])c1cnc(Sc2nc3cc(Cl)ccc3[nH]2)c(-c2nn[n-]n2)c1 ZINC000823651787 599154106 /nfs/dbraw/zinc/15/41/06/599154106.db2.gz QJZBATZSGHVKHQ-UHFFFAOYSA-N -1 3 374.773 2.851 20 5 FFBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732815 598310950 /nfs/dbraw/zinc/31/09/50/598310950.db2.gz OHTOTZQGAMXUIN-WTKPLQERSA-N -1 3 368.328 2.590 20 5 FFBDHM CN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732815 598310952 /nfs/dbraw/zinc/31/09/52/598310952.db2.gz OHTOTZQGAMXUIN-WTKPLQERSA-N -1 3 368.328 2.590 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000738359011 598315781 /nfs/dbraw/zinc/31/57/81/598315781.db2.gz IEIWWBRGYBJKBT-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000738359011 598315783 /nfs/dbraw/zinc/31/57/83/598315783.db2.gz IEIWWBRGYBJKBT-UHFFFAOYSA-N -1 3 362.752 2.857 20 5 FFBDHM CC1(c2ccccc2)CC(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000736225192 598364849 /nfs/dbraw/zinc/36/48/49/598364849.db2.gz XRNRIHBWEYJVLO-UHFFFAOYSA-N -1 3 351.370 2.702 20 5 FFBDHM CC1(c2ccccc2)CC(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000736225192 598364850 /nfs/dbraw/zinc/36/48/50/598364850.db2.gz XRNRIHBWEYJVLO-UHFFFAOYSA-N -1 3 351.370 2.702 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737619570 599333378 /nfs/dbraw/zinc/33/33/78/599333378.db2.gz VUYSJMASZXELHZ-UHFFFAOYSA-N -1 3 363.337 2.968 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737619570 599333381 /nfs/dbraw/zinc/33/33/81/599333381.db2.gz VUYSJMASZXELHZ-UHFFFAOYSA-N -1 3 363.337 2.968 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737293535 599374559 /nfs/dbraw/zinc/37/45/59/599374559.db2.gz FGDGDGGGWJBOJY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737293535 599374561 /nfs/dbraw/zinc/37/45/61/599374561.db2.gz FGDGDGGGWJBOJY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738165958 599375068 /nfs/dbraw/zinc/37/50/68/599375068.db2.gz IRZAIKZBCBOOHX-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738165958 599375070 /nfs/dbraw/zinc/37/50/70/599375070.db2.gz IRZAIKZBCBOOHX-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM COc1ccccc1[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000737146639 599536772 /nfs/dbraw/zinc/53/67/72/599536772.db2.gz INECQXPPPSEHRP-ZDUSSCGKSA-N -1 3 366.381 2.777 20 5 FFBDHM COc1ccccc1[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000737146639 599536775 /nfs/dbraw/zinc/53/67/75/599536775.db2.gz INECQXPPPSEHRP-ZDUSSCGKSA-N -1 3 366.381 2.777 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000826252213 607384784 /nfs/dbraw/zinc/38/47/84/607384784.db2.gz UMVZAVRLJONBLV-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000826252213 607384786 /nfs/dbraw/zinc/38/47/86/607384786.db2.gz UMVZAVRLJONBLV-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000826254603 607408513 /nfs/dbraw/zinc/40/85/13/607408513.db2.gz SSXKTGFCUXMBHV-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000826254603 607408514 /nfs/dbraw/zinc/40/85/14/607408514.db2.gz SSXKTGFCUXMBHV-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1nn(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000833921233 605321651 /nfs/dbraw/zinc/32/16/51/605321651.db2.gz RPTUEJMNBFEGLD-MAZHCROVSA-N -1 3 373.413 2.579 20 5 FFBDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834103435 606031514 /nfs/dbraw/zinc/03/15/14/606031514.db2.gz BFNHPNKKTRUKGS-ZACQAIPSSA-N -1 3 363.414 2.625 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2nnn[n-]2)cs1 ZINC000823418799 606467654 /nfs/dbraw/zinc/46/76/54/606467654.db2.gz WUSRZGMLTBHMKQ-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2nn[n-]n2)cs1 ZINC000823418799 606467655 /nfs/dbraw/zinc/46/76/55/606467655.db2.gz WUSRZGMLTBHMKQ-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](Nc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639532 606725531 /nfs/dbraw/zinc/72/55/31/606725531.db2.gz CKECJEQLCHXMAL-CQSZACIVSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H](Nc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639532 606725532 /nfs/dbraw/zinc/72/55/32/606725532.db2.gz CKECJEQLCHXMAL-CQSZACIVSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCOC3(C2)CCCCCC3)c(-c2nnn[n-]2)c1 ZINC000823639932 606879138 /nfs/dbraw/zinc/87/91/38/606879138.db2.gz MJISDJAQTMOLBE-UHFFFAOYSA-N -1 3 358.402 2.705 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCOC3(C2)CCCCCC3)c(-c2nn[n-]n2)c1 ZINC000823639932 606879140 /nfs/dbraw/zinc/87/91/40/606879140.db2.gz MJISDJAQTMOLBE-UHFFFAOYSA-N -1 3 358.402 2.705 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC000821362282 606880160 /nfs/dbraw/zinc/88/01/60/606880160.db2.gz ZHYXREDFBCBCPA-CABCVRRESA-N -1 3 358.402 2.559 20 5 FFBDHM CCO[C@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC000821362282 606880161 /nfs/dbraw/zinc/88/01/61/606880161.db2.gz ZHYXREDFBCBCPA-CABCVRRESA-N -1 3 358.402 2.559 20 5 FFBDHM C[C@@H](O)C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820473879 607046027 /nfs/dbraw/zinc/04/60/27/607046027.db2.gz NKMLSFNWPHRIFL-OCCSQVGLSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@@H](O)C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820473879 607046029 /nfs/dbraw/zinc/04/60/29/607046029.db2.gz NKMLSFNWPHRIFL-OCCSQVGLSA-N -1 3 368.397 2.742 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822212774 607190917 /nfs/dbraw/zinc/19/09/17/607190917.db2.gz GXKGYSBNXOLIPZ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822212774 607190918 /nfs/dbraw/zinc/19/09/18/607190918.db2.gz GXKGYSBNXOLIPZ-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000823449800 607244859 /nfs/dbraw/zinc/24/48/59/607244859.db2.gz DCSLWXGRCSBFRT-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000823449800 607244860 /nfs/dbraw/zinc/24/48/60/607244860.db2.gz DCSLWXGRCSBFRT-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1-c1nnn[n-]1 ZINC000825826117 607789867 /nfs/dbraw/zinc/78/98/67/607789867.db2.gz WYKQKGXXINQJJZ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1-c1nn[n-]n1 ZINC000825826117 607789868 /nfs/dbraw/zinc/78/98/68/607789868.db2.gz WYKQKGXXINQJJZ-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM Cc1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826291536 607863661 /nfs/dbraw/zinc/86/36/61/607863661.db2.gz KMWIFEVYESJSCD-VQHVLOKHSA-N -1 3 351.322 2.702 20 5 FFBDHM Cc1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826291536 607863662 /nfs/dbraw/zinc/86/36/62/607863662.db2.gz KMWIFEVYESJSCD-VQHVLOKHSA-N -1 3 351.322 2.702 20 5 FFBDHM CSCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826228745 608161881 /nfs/dbraw/zinc/16/18/81/608161881.db2.gz YUNUBDZHSSZXQN-UHFFFAOYSA-N -1 3 370.822 2.900 20 5 FFBDHM CSCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826228745 608161883 /nfs/dbraw/zinc/16/18/83/608161883.db2.gz YUNUBDZHSSZXQN-UHFFFAOYSA-N -1 3 370.822 2.900 20 5 FFBDHM C[C@H](CCO)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824407012 608240193 /nfs/dbraw/zinc/24/01/93/608240193.db2.gz ULTWESJQKIMUBB-CYBMUJFWSA-N -1 3 368.397 2.552 20 5 FFBDHM C[C@H](CCO)N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824407012 608240195 /nfs/dbraw/zinc/24/01/95/608240195.db2.gz ULTWESJQKIMUBB-CYBMUJFWSA-N -1 3 368.397 2.552 20 5 FFBDHM C[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824532142 608388265 /nfs/dbraw/zinc/38/82/65/608388265.db2.gz SIBIZMHVUDOWQS-JTQLQIEISA-N -1 3 369.410 2.823 20 5 FFBDHM C[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824532142 608388266 /nfs/dbraw/zinc/38/82/66/608388266.db2.gz SIBIZMHVUDOWQS-JTQLQIEISA-N -1 3 369.410 2.823 20 5 FFBDHM COc1ccc(CNc2cc(OC)c([N+](=O)[O-])cc2F)cc1-c1nnn[n-]1 ZINC000826203378 608552715 /nfs/dbraw/zinc/55/27/15/608552715.db2.gz LMPUIDWRXYEYRA-UHFFFAOYSA-N -1 3 374.332 2.543 20 5 FFBDHM COc1ccc(CNc2cc(OC)c([N+](=O)[O-])cc2F)cc1-c1nn[n-]n1 ZINC000826203378 608552717 /nfs/dbraw/zinc/55/27/17/608552717.db2.gz LMPUIDWRXYEYRA-UHFFFAOYSA-N -1 3 374.332 2.543 20 5 FFBDHM Cc1c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000826240953 609330969 /nfs/dbraw/zinc/33/09/69/609330969.db2.gz MRAHNXZGFGVLSC-UHFFFAOYSA-N -1 3 374.307 2.814 20 5 FFBDHM Cc1c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000826240953 609330970 /nfs/dbraw/zinc/33/09/70/609330970.db2.gz MRAHNXZGFGVLSC-UHFFFAOYSA-N -1 3 374.307 2.814 20 5 FFBDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826423139 609340438 /nfs/dbraw/zinc/34/04/38/609340438.db2.gz AAKNLGUQAVMKIX-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826423139 609340440 /nfs/dbraw/zinc/34/04/40/609340440.db2.gz AAKNLGUQAVMKIX-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000826263528 609383176 /nfs/dbraw/zinc/38/31/76/609383176.db2.gz FYRMJVYBSXYPMS-UHFFFAOYSA-N -1 3 365.397 2.956 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000826263528 609383179 /nfs/dbraw/zinc/38/31/79/609383179.db2.gz FYRMJVYBSXYPMS-UHFFFAOYSA-N -1 3 365.397 2.956 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000826465715 609616771 /nfs/dbraw/zinc/61/67/71/609616771.db2.gz YTSDGUBXVZMXFQ-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000826465715 609616772 /nfs/dbraw/zinc/61/67/72/609616772.db2.gz YTSDGUBXVZMXFQ-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CCC2)c(Br)c1 ZINC000746673085 735504227 /nfs/dbraw/zinc/50/42/27/735504227.db2.gz WOSOPNAMLAJDHO-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121413422 728626509 /nfs/dbraw/zinc/62/65/09/728626509.db2.gz JGTPKLJMSSKNEO-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCS1 ZINC000126218383 728696003 /nfs/dbraw/zinc/69/60/03/728696003.db2.gz CWXMCGDNDUAMGW-GFCCVEGCSA-N -1 3 350.849 2.812 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl ZINC000856749473 730354370 /nfs/dbraw/zinc/35/43/70/730354370.db2.gz HEZQIZXDQRDUBZ-VIFPVBQESA-N -1 3 353.227 2.765 20 5 FFBDHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]OCC(F)(F)F ZINC000866733652 731093130 /nfs/dbraw/zinc/09/31/30/731093130.db2.gz YKSMTNFFQOQXFR-UHFFFAOYSA-N -1 3 357.082 2.510 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCOC2)c(Cl)c1 ZINC000867736464 731218621 /nfs/dbraw/zinc/21/86/21/731218621.db2.gz MIEJWKXEAHJDQJ-ABAIWWIYSA-N -1 3 374.846 2.732 20 5 FFBDHM O=C([N-]OCCCC(F)(F)F)c1cc([N+](=O)[O-])ncc1Br ZINC000871215874 731608007 /nfs/dbraw/zinc/60/80/07/731608007.db2.gz LZSOMCICHMUBCP-UHFFFAOYSA-N -1 3 372.097 2.756 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)OCc2csc([N+](=O)[O-])c2)c([O-])c1 ZINC000726203225 734413756 /nfs/dbraw/zinc/41/37/56/734413756.db2.gz LFUYBGJUTZPQJK-UHFFFAOYSA-N -1 3 364.379 2.534 20 5 FFBDHM O=c1cc([C@@H]2CCN(c3cccc(Br)c3[N+](=O)[O-])C2)[n-][nH]1 ZINC000894375560 734848064 /nfs/dbraw/zinc/84/80/64/734848064.db2.gz QSBDFEYMKQFFQY-MRVPVSSYSA-N -1 3 353.176 2.780 20 5 FFBDHM CN(C)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000811824956 741563943 /nfs/dbraw/zinc/56/39/43/741563943.db2.gz CAAOSWYSAZOMCB-UHFFFAOYSA-N -1 3 356.791 2.510 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC[C@]2(C)C[C@]2(F)Cl)cc1[N+](=O)[O-] ZINC000845977009 748368515 /nfs/dbraw/zinc/36/85/15/748368515.db2.gz TXXPPHPLBIIZFE-GHMZBOCLSA-N -1 3 356.828 2.948 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC[C@]2(C)C[C@]2(F)Cl)c([N+](=O)[O-])c1 ZINC000845982537 748372550 /nfs/dbraw/zinc/37/25/50/748372550.db2.gz RBUCHKYHJSBTQU-CHWSQXEVSA-N -1 3 366.798 2.586 20 5 FFBDHM CCc1cnc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)s1 ZINC000848586911 748966763 /nfs/dbraw/zinc/96/67/63/748966763.db2.gz DZQCSVGADZBZGN-UHFFFAOYSA-N -1 3 357.338 2.902 20 5 FFBDHM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000848590564 748968728 /nfs/dbraw/zinc/96/87/28/748968728.db2.gz FEZCZAIIRQDNNZ-JOYOIKCWSA-N -1 3 352.297 2.585 20 5 FFBDHM O=C([N-]C[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000852061800 749765078 /nfs/dbraw/zinc/76/50/78/749765078.db2.gz RHPUNDZXRQHVAY-SNVBAGLBSA-N -1 3 363.311 2.624 20 5 FFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001575514903 949176960 /nfs/dbraw/zinc/17/69/60/949176960.db2.gz ZZLGNQRBMAUTNK-SNVBAGLBSA-N -1 3 364.369 2.849 20 5 FFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001575514903 949176964 /nfs/dbraw/zinc/17/69/64/949176964.db2.gz ZZLGNQRBMAUTNK-SNVBAGLBSA-N -1 3 364.369 2.849 20 5 FFBDHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)O2 ZINC001594906655 954681983 /nfs/dbraw/zinc/68/19/83/954681983.db2.gz YSQWXNUCXNYWIU-BGMSHATGSA-N -1 3 354.790 2.750 20 5 FFBDHM CCNC(=O)c1ccc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])c(C)c1 ZINC001205952627 1032080685 /nfs/dbraw/zinc/08/06/85/1032080685.db2.gz SVQJKVBCAFGQCX-UHFFFAOYSA-N -1 3 359.382 2.979 20 5 FFBDHM CCO[C@H]1C[C@](NCc2cc(Cl)ccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596838863 985511547 /nfs/dbraw/zinc/51/15/47/985511547.db2.gz PLXPPEQIJGCQFD-BBRMVZONSA-N -1 3 356.806 2.996 20 5 FFBDHM C[C@@]1(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1(Cl)Cl ZINC001594026523 997557779 /nfs/dbraw/zinc/55/77/79/997557779.db2.gz NMUSSCCORBPSQG-ZDUSSCGKSA-N -1 3 363.197 2.732 20 5 FFBDHM COc1ccc(COCCN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC001599575988 998443765 /nfs/dbraw/zinc/44/37/65/998443765.db2.gz RZOJPMRQNZNXCO-IBGZPJMESA-N -1 3 374.393 2.710 20 5 FFBDHM O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2occc2[n-]1 ZINC000786034968 1001522983 /nfs/dbraw/zinc/52/29/83/1001522983.db2.gz YTEDFPLCZNOTBZ-AWEZNQCLSA-N -1 3 355.306 2.631 20 5 FFBDHM CC1(C)CCc2onc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC001194324641 1004705395 /nfs/dbraw/zinc/70/53/95/1004705395.db2.gz BGCYDLBZXXUCKO-UHFFFAOYSA-N -1 3 365.411 2.576 20 5 FFBDHM COC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Br)n1 ZINC001199818941 1005025461 /nfs/dbraw/zinc/02/54/61/1005025461.db2.gz IBCYYTUDNAPALI-UHFFFAOYSA-N -1 3 368.143 2.988 20 5 FFBDHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853443674 1006391484 /nfs/dbraw/zinc/39/14/84/1006391484.db2.gz DPKAXYFEKVBEPL-VXGBXAGGSA-N -1 3 366.418 2.825 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001136308486 1008295710 /nfs/dbraw/zinc/29/57/10/1008295710.db2.gz JAWXBWCTECCCGS-LLVKDONJSA-N -1 3 355.350 2.916 20 5 FFBDHM C[C@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001179183937 1009272608 /nfs/dbraw/zinc/27/26/08/1009272608.db2.gz YWGLHFTVCXPQRE-QMMMGPOBSA-N -1 3 371.319 2.887 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001275489709 1012534497 /nfs/dbraw/zinc/53/44/97/1012534497.db2.gz DHNICMPKMORGQR-QWHCGFSZSA-N -1 3 368.328 2.656 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001275489709 1012534507 /nfs/dbraw/zinc/53/45/07/1012534507.db2.gz DHNICMPKMORGQR-QWHCGFSZSA-N -1 3 368.328 2.656 20 5 FFBDHM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(OC)c([O-])cc1[N+](=O)[O-])N2 ZINC000726605538 1020492877 /nfs/dbraw/zinc/49/28/77/1020492877.db2.gz RZKHESMGBVMWAG-MRXNPFEDSA-N -1 3 359.338 2.514 20 5 FFBDHM C[C@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000837633522 1025935280 /nfs/dbraw/zinc/93/52/80/1025935280.db2.gz QSHHMIHWQCMORD-VIFPVBQESA-N -1 3 361.329 2.954 20 5 FFBDHM O=c1[n-]ccc(N2CCOc3c(Br)cccc3C2)c1[N+](=O)[O-] ZINC001163200278 1028838690 /nfs/dbraw/zinc/83/86/90/1028838690.db2.gz SEOUYQVCCCLZNP-UHFFFAOYSA-N -1 3 366.171 2.857 20 5 FFBDHM CCOC(=O)c1cccc(N(CC)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001142009602 1029891883 /nfs/dbraw/zinc/89/18/83/1029891883.db2.gz PSHKWHZMXJQTOG-UHFFFAOYSA-N -1 3 359.338 2.539 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3nccc([O-])c3[N+](=O)[O-])C[C@H]21 ZINC001225665712 1034358415 /nfs/dbraw/zinc/35/84/15/1034358415.db2.gz DMDVGZAXWCXJFU-IJLUTSLNSA-N -1 3 365.386 2.862 20 5 FFBDHM Cc1cc2[n-]c(OCCOCCOCCOC(C)C)nc2cc1[N+](=O)[O-] ZINC001228676272 1036249885 /nfs/dbraw/zinc/24/98/85/1036249885.db2.gz YESKGDCBPJSLNG-UHFFFAOYSA-N -1 3 367.402 2.617 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3nnc(-c4cccnc4)[n-]3)CC2)cc1 ZINC001228696354 1036264857 /nfs/dbraw/zinc/26/48/57/1036264857.db2.gz VJUSOHRSEBYJPJ-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3nc(-c4cccnc4)n[n-]3)CC2)cc1 ZINC001228696354 1036264871 /nfs/dbraw/zinc/26/48/71/1036264871.db2.gz VJUSOHRSEBYJPJ-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3n[n-]c(-c4cccnc4)n3)CC2)cc1 ZINC001228696354 1036264880 /nfs/dbraw/zinc/26/48/80/1036264880.db2.gz VJUSOHRSEBYJPJ-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM Cc1nc(O[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229377876 1036640983 /nfs/dbraw/zinc/64/09/83/1036640983.db2.gz GGMIMGQTXBRYGL-CYBMUJFWSA-N -1 3 364.789 2.706 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233680330 1036716789 /nfs/dbraw/zinc/71/67/89/1036716789.db2.gz HXLHHMQCYYWBKZ-LBPRGKRZSA-N -1 3 358.325 2.967 20 5 FFBDHM C[C@@H](C[N+](C)(C)C)Oc1c([O-])ccc2c([O-])c3c(=O)cc(O)cc-3oc21 ZINC001234749912 1037166302 /nfs/dbraw/zinc/16/63/02/1037166302.db2.gz GJRCRTVXMJFHLU-JTQLQIEISA-O -1 3 360.386 2.537 20 5 FFBDHM O=c1nc(O[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231073228 1037456173 /nfs/dbraw/zinc/45/61/73/1037456173.db2.gz YZJLBTOZXISCTE-GFCCVEGCSA-N -1 3 364.789 2.787 20 5 FFBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC001537571653 1070211595 /nfs/dbraw/zinc/21/15/95/1070211595.db2.gz FWCVFBKNYNVJLE-UHFFFAOYSA-N -1 3 354.322 2.900 20 5 FFBDHM COC(=O)Cc1ccc([O-])c(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1 ZINC001211295052 1040068785 /nfs/dbraw/zinc/06/87/85/1040068785.db2.gz KBSMGSWYFQEMNG-UHFFFAOYSA-N -1 3 361.310 2.976 20 5 FFBDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC001309612758 1043453905 /nfs/dbraw/zinc/45/39/05/1043453905.db2.gz VDACMWWQIHIQAB-SECBINFHSA-N -1 3 371.440 2.662 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])s1 ZINC001309706666 1043490105 /nfs/dbraw/zinc/49/01/05/1043490105.db2.gz SWNRQWWLTLHAEY-LLVKDONJSA-N -1 3 368.436 2.555 20 5 FFBDHM CSc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC001303519906 1051372819 /nfs/dbraw/zinc/37/28/19/1051372819.db2.gz ZRWNZOHUISREPL-UHFFFAOYSA-N -1 3 360.395 2.620 20 5 FFBDHM COc1c([O-])ccc(CNc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC001342864837 1051473236 /nfs/dbraw/zinc/47/32/36/1051473236.db2.gz SEKUXUCECUBRNG-UHFFFAOYSA-N -1 3 359.382 2.758 20 5 FFBDHM COc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc([N+](=O)[O-])c1C ZINC001304132640 1051552225 /nfs/dbraw/zinc/55/22/25/1051552225.db2.gz PYKPZQJVHTXHRX-ZETCQYMHSA-N -1 3 373.291 2.540 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc3C2)c(F)c1 ZINC001309359044 1052605033 /nfs/dbraw/zinc/60/50/33/1052605033.db2.gz WKUVGTFRELZCEV-GFCCVEGCSA-N -1 3 364.398 2.817 20 5 FFBDHM COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC3 ZINC001458327894 1060567724 /nfs/dbraw/zinc/56/77/24/1060567724.db2.gz AJMYLXVOFLWBJZ-UHFFFAOYSA-N -1 3 368.349 2.526 20 5 FFBDHM CCc1ncc(Cl)c(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 ZINC001360572286 1061989661 /nfs/dbraw/zinc/98/96/61/1061989661.db2.gz APDLKMOOXOPSBL-UHFFFAOYSA-N -1 3 364.745 2.640 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001463994533 1062371940 /nfs/dbraw/zinc/37/19/40/1062371940.db2.gz KBUJGHMUOOIHOV-IAQYHMDHSA-N -1 3 370.452 2.539 20 5 FFBDHM C=C/C=C\CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001464406159 1062594681 /nfs/dbraw/zinc/59/46/81/1062594681.db2.gz YZCKICLDVMPFAP-ARJAWSKDSA-N -1 3 361.217 2.768 20 5 FFBDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001464718029 1062781415 /nfs/dbraw/zinc/78/14/15/1062781415.db2.gz IOMDVUMXXCXJJD-UHFFFAOYSA-N -1 3 365.289 2.721 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC(C)(C)O2)c(F)cc1[N+](=O)[O-] ZINC001464736191 1062792728 /nfs/dbraw/zinc/79/27/28/1062792728.db2.gz ACVCDBLAFGLABL-NSHDSACASA-N -1 3 360.407 2.668 20 5 FFBDHM Nc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC001468695098 1064024125 /nfs/dbraw/zinc/02/41/25/1064024125.db2.gz SSLMONSNGGKVJP-UHFFFAOYSA-N -1 3 360.276 2.549 20 5 FFBDHM Cc1cccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)c1 ZINC001470713470 1064423299 /nfs/dbraw/zinc/42/32/99/1064423299.db2.gz QETKVNXOXAIVCJ-OAHLLOKOSA-N -1 3 355.394 2.613 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580611879 1078835436 /nfs/dbraw/zinc/83/54/36/1078835436.db2.gz FTLUUHRYPDFTCJ-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580611879 1078835443 /nfs/dbraw/zinc/83/54/43/1078835443.db2.gz FTLUUHRYPDFTCJ-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001581213618 1078940183 /nfs/dbraw/zinc/94/01/83/1078940183.db2.gz BHXHHUREBBWHIN-UHFFFAOYSA-N -1 3 371.328 2.888 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1COC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001581213618 1078940187 /nfs/dbraw/zinc/94/01/87/1078940187.db2.gz BHXHHUREBBWHIN-UHFFFAOYSA-N -1 3 371.328 2.888 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NCCCN1CCc2ccccc21 ZINC001582804185 1079110030 /nfs/dbraw/zinc/11/00/30/1079110030.db2.gz MNQWGDAWXNIDKG-UHFFFAOYSA-N -1 3 365.397 2.640 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NCCCN1CCc2ccccc21 ZINC001582804185 1079110034 /nfs/dbraw/zinc/11/00/34/1079110034.db2.gz MNQWGDAWXNIDKG-UHFFFAOYSA-N -1 3 365.397 2.640 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H]4C[C@@H]43)cc(-c3nnn[n-]3)c2c1 ZINC001582804177 1079110093 /nfs/dbraw/zinc/11/00/93/1079110093.db2.gz LZPVGLOVFAPOQE-OLUVUFQESA-N -1 3 351.370 2.924 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCC[C@@H]4C[C@@H]43)cc(-c3nn[n-]n3)c2c1 ZINC001582804177 1079110099 /nfs/dbraw/zinc/11/00/99/1079110099.db2.gz LZPVGLOVFAPOQE-OLUVUFQESA-N -1 3 351.370 2.924 20 5 FFBDHM O=c1cc([C@@H]2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)C2)[n-][nH]1 ZINC001559227236 1076137238 /nfs/dbraw/zinc/13/72/38/1076137238.db2.gz IWMCYHSNBVPTQL-MRVPVSSYSA-N -1 3 360.761 2.614 20 5 FFBDHM CCOc1cc(N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)ccc1[N+](=O)[O-] ZINC001559278490 1076144717 /nfs/dbraw/zinc/14/47/17/1076144717.db2.gz DLYOQPFZZWQDKY-AWEZNQCLSA-N -1 3 373.413 2.878 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC001561746292 1076416474 /nfs/dbraw/zinc/41/64/74/1076416474.db2.gz VRFUTXSRQFRGSZ-JTQLQIEISA-N -1 3 355.803 2.725 20 5 FFBDHM CC1(C)C[C@@]1(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC001561776659 1076421135 /nfs/dbraw/zinc/42/11/35/1076421135.db2.gz FDZLVSIKQWWYCL-QGZVFWFLSA-N -1 3 361.423 2.636 20 5 FFBDHM Cc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC001570591577 1077217067 /nfs/dbraw/zinc/21/70/67/1077217067.db2.gz APTDVPVKWFQYCE-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM CC(=O)Nc1ccc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588878636 1080228938 /nfs/dbraw/zinc/22/89/38/1080228938.db2.gz LNUOVZCLTXXCGE-UHFFFAOYSA-N -1 3 356.367 2.885 20 5 FFBDHM CC(=O)Nc1ccc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588878636 1080228951 /nfs/dbraw/zinc/22/89/51/1080228951.db2.gz LNUOVZCLTXXCGE-UHFFFAOYSA-N -1 3 356.367 2.885 20 5 FFBDHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC001588943545 1080277765 /nfs/dbraw/zinc/27/77/65/1080277765.db2.gz SINRRKWFQMPWTI-SNVBAGLBSA-N -1 3 370.344 2.681 20 5 FFBDHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC001588943545 1080277774 /nfs/dbraw/zinc/27/77/74/1080277774.db2.gz SINRRKWFQMPWTI-SNVBAGLBSA-N -1 3 370.344 2.681 20 5 FFBDHM CC(C)(C)OC(=O)CCSCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589155442 1080389381 /nfs/dbraw/zinc/38/93/81/1080389381.db2.gz DFOYAHWVLXKFKD-UHFFFAOYSA-N -1 3 365.415 2.740 20 5 FFBDHM CC(C)(C)OC(=O)CCSCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589155442 1080389389 /nfs/dbraw/zinc/38/93/89/1080389389.db2.gz DFOYAHWVLXKFKD-UHFFFAOYSA-N -1 3 365.415 2.740 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccncc1 ZINC001589288204 1080466032 /nfs/dbraw/zinc/46/60/32/1080466032.db2.gz IELVDXBMQAQRPD-UHFFFAOYSA-N -1 3 357.349 2.699 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccncc1 ZINC001589288204 1080466033 /nfs/dbraw/zinc/46/60/33/1080466033.db2.gz IELVDXBMQAQRPD-UHFFFAOYSA-N -1 3 357.349 2.699 20 5 FFBDHM CC(C)(O)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589338654 1080488512 /nfs/dbraw/zinc/48/85/12/1080488512.db2.gz HKAJSRRAFSWBJT-UHFFFAOYSA-N -1 3 354.370 2.614 20 5 FFBDHM CC(C)(O)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589338654 1080488517 /nfs/dbraw/zinc/48/85/17/1080488517.db2.gz HKAJSRRAFSWBJT-UHFFFAOYSA-N -1 3 354.370 2.614 20 5 FFBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589521138 1080580404 /nfs/dbraw/zinc/58/04/04/1080580404.db2.gz PRCRSUWQRFSGML-BMIGLBTASA-N -1 3 364.381 2.777 20 5 FFBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589521138 1080580410 /nfs/dbraw/zinc/58/04/10/1080580410.db2.gz PRCRSUWQRFSGML-BMIGLBTASA-N -1 3 364.381 2.777 20 5 FFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589729591 1080691129 /nfs/dbraw/zinc/69/11/29/1080691129.db2.gz MRVRMHMHKPIUET-UHFFFAOYSA-N -1 3 373.398 2.909 20 5 FFBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001589876441 1080824970 /nfs/dbraw/zinc/82/49/70/1080824970.db2.gz WROVOVZIAPLYBD-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])Oc1cccc(F)c1 ZINC001589876441 1080824973 /nfs/dbraw/zinc/82/49/73/1080824973.db2.gz WROVOVZIAPLYBD-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](COc1ccccc1F)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589886962 1080833076 /nfs/dbraw/zinc/83/30/76/1080833076.db2.gz OFNANPCLGSKNOZ-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](COc1ccccc1F)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589886962 1080833082 /nfs/dbraw/zinc/83/30/82/1080833082.db2.gz OFNANPCLGSKNOZ-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001590045432 1080973220 /nfs/dbraw/zinc/97/32/20/1080973220.db2.gz ZGJXKGNBZOTVRO-JTQLQIEISA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001590045432 1080973227 /nfs/dbraw/zinc/97/32/27/1080973227.db2.gz ZGJXKGNBZOTVRO-JTQLQIEISA-N -1 3 370.344 2.747 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC2(CCCC2)O1 ZINC001590108379 1081018441 /nfs/dbraw/zinc/01/84/41/1081018441.db2.gz WZFYLQSDZZTJKK-UHFFFAOYSA-N -1 3 358.402 2.703 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC2(CCCC2)O1 ZINC001590108379 1081018448 /nfs/dbraw/zinc/01/84/48/1081018448.db2.gz WZFYLQSDZZTJKK-UHFFFAOYSA-N -1 3 358.402 2.703 20 5 FFBDHM CC1=C[C@H](C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590156198 1081056902 /nfs/dbraw/zinc/05/69/02/1081056902.db2.gz DZNSDYGPAGMHEJ-JTQLQIEISA-N -1 3 351.370 2.726 20 5 FFBDHM CC1=C[C@H](C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590156198 1081056906 /nfs/dbraw/zinc/05/69/06/1081056906.db2.gz DZNSDYGPAGMHEJ-JTQLQIEISA-N -1 3 351.370 2.726 20 5 FFBDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000118438397 250386166 /nfs/dbraw/zinc/38/61/66/250386166.db2.gz GCBHUHOLERCPKT-WFASDCNBSA-N -1 3 356.444 2.714 20 5 FFBDHM NC(=O)c1cc([N+](=O)[O-])cnc1[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000301215361 258034863 /nfs/dbraw/zinc/03/48/63/258034863.db2.gz ZRZHWIBTIFSYPV-UHFFFAOYSA-N -1 3 358.745 2.671 20 5 FFBDHM CCOc1cccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000302615372 258106927 /nfs/dbraw/zinc/10/69/27/258106927.db2.gz FTQUKPQTYDBARC-UHFFFAOYSA-N -1 3 371.393 2.662 20 5 FFBDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330382624 258162888 /nfs/dbraw/zinc/16/28/88/258162888.db2.gz JBRYBKPHXSQQMK-KCJUWKMLSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000330842416 258171735 /nfs/dbraw/zinc/17/17/35/258171735.db2.gz MSYYSQPJMWBSRX-PWSUYJOCSA-N -1 3 360.457 2.556 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000331174302 258179284 /nfs/dbraw/zinc/17/92/84/258179284.db2.gz OZFXVFKHSSCEJK-DGCLKSJQSA-N -1 3 374.484 2.946 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(Br)c1 ZINC000331352621 258182816 /nfs/dbraw/zinc/18/28/16/258182816.db2.gz XLSXXFDRLUZKFS-SECBINFHSA-N -1 3 361.217 2.744 20 5 FFBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000123879855 508751900 /nfs/dbraw/zinc/75/19/00/508751900.db2.gz VWFHKABOKMQZHF-UHFFFAOYSA-N -1 3 361.470 2.559 20 5 FFBDHM CCOc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000053670764 506425456 /nfs/dbraw/zinc/42/54/56/506425456.db2.gz GQOHMRRCHAXICA-UHFFFAOYSA-N -1 3 354.359 2.611 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1F ZINC000032405417 506248475 /nfs/dbraw/zinc/24/84/75/506248475.db2.gz XWYIIUFKZHXEOV-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM Cc1ccc(-c2csc3[n-]c(Cn4cnc([N+](=O)[O-])n4)nc(=O)c23)s1 ZINC000053835632 506452810 /nfs/dbraw/zinc/45/28/10/506452810.db2.gz QGVVYRHTBTUXPM-UHFFFAOYSA-N -1 3 374.407 2.570 20 5 FFBDHM Cc1csc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000056036901 506915825 /nfs/dbraw/zinc/91/58/25/506915825.db2.gz RTMUDYMMWZNWQP-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c(Cl)c1 ZINC000056057603 506919117 /nfs/dbraw/zinc/91/91/17/506919117.db2.gz GFCLYMGKZRBIOW-LLVKDONJSA-N -1 3 368.798 2.530 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)cc1 ZINC000056056786 506919929 /nfs/dbraw/zinc/91/99/29/506919929.db2.gz KNSLUUVHXDBFIR-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000067595087 506942354 /nfs/dbraw/zinc/94/23/54/506942354.db2.gz AHYVPTVIVKGTIY-INIZCTEOSA-N -1 3 369.421 2.942 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000014099267 506965690 /nfs/dbraw/zinc/96/56/90/506965690.db2.gz SRGKGQNIFRAZCG-UHFFFAOYSA-N -1 3 368.386 2.871 20 5 FFBDHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000015911065 507066820 /nfs/dbraw/zinc/06/68/20/507066820.db2.gz QVBVPJFUEKKFNQ-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000016091078 507072608 /nfs/dbraw/zinc/07/26/08/507072608.db2.gz WNQHARIGRDHQSP-UHFFFAOYSA-N -1 3 359.407 2.918 20 5 FFBDHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000068073731 507099553 /nfs/dbraw/zinc/09/95/53/507099553.db2.gz QLNZWGQXTXJVGI-UHFFFAOYSA-N -1 3 373.398 2.577 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2cc(C)ccc21 ZINC000057019815 507152023 /nfs/dbraw/zinc/15/20/23/507152023.db2.gz PXRRTEQFABNKQT-HNNXBMFYSA-N -1 3 362.407 2.878 20 5 FFBDHM COCCOc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000057273389 507225975 /nfs/dbraw/zinc/22/59/75/507225975.db2.gz FIUJCNBBXXYNRR-UHFFFAOYSA-N -1 3 356.338 2.749 20 5 FFBDHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064245371 507787464 /nfs/dbraw/zinc/78/74/64/507787464.db2.gz GNURAIDMXZZLMN-UHFFFAOYSA-N -1 3 356.425 2.671 20 5 FFBDHM CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c([O-])c1 ZINC000052615582 507815971 /nfs/dbraw/zinc/81/59/71/507815971.db2.gz VVTCIYLSRNDAJO-UHFFFAOYSA-N -1 3 370.409 2.781 20 5 FFBDHM CCc1onc(C)c1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000089409041 507835788 /nfs/dbraw/zinc/83/57/88/507835788.db2.gz AAAUMUCIOLVUMV-UHFFFAOYSA-N -1 3 356.342 2.595 20 5 FFBDHM Cc1ccc(NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c([N+](=O)[O-])c1 ZINC000080610723 508088598 /nfs/dbraw/zinc/08/85/98/508088598.db2.gz KZIFURYXHPSWHY-SFHVURJKSA-N -1 3 354.366 2.570 20 5 FFBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000111363289 508093913 /nfs/dbraw/zinc/09/39/13/508093913.db2.gz ZTAGJVAJCWSOFA-MRVPVSSYSA-N -1 3 359.404 2.792 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1C ZINC000111368016 508094299 /nfs/dbraw/zinc/09/42/99/508094299.db2.gz KOAHZQBXWQEEFH-DIFFPNOSSA-N -1 3 362.407 2.815 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3C)c([N+](=O)[O-])c1 ZINC000104753972 508345351 /nfs/dbraw/zinc/34/53/51/508345351.db2.gz CRAGIAHTVLJPFM-OAHLLOKOSA-N -1 3 362.407 2.878 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000088780684 508384723 /nfs/dbraw/zinc/38/47/23/508384723.db2.gz RGTLVHBIWIQDAK-UHFFFAOYSA-N -1 3 367.427 2.803 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116361703 508503208 /nfs/dbraw/zinc/50/32/08/508503208.db2.gz JNQOBOCXFCYISM-CABZTGNLSA-N -1 3 354.334 2.707 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000127860735 508511697 /nfs/dbraw/zinc/51/16/97/508511697.db2.gz GXKUPGPEXWABBE-DZGCQCFKSA-N -1 3 356.444 2.513 20 5 FFBDHM COc1ccsc1S(=O)(=O)[N-]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000123426403 508685016 /nfs/dbraw/zinc/68/50/16/508685016.db2.gz ZENCXQSHQYNXOA-UHFFFAOYSA-N -1 3 356.425 2.879 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000158811396 508755048 /nfs/dbraw/zinc/75/50/48/508755048.db2.gz CWUQYCYCWZAAFU-SNVBAGLBSA-N -1 3 367.427 2.898 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000123927764 508758941 /nfs/dbraw/zinc/75/89/41/508758941.db2.gz NQJDYCPYAWHCJQ-NHYWBVRUSA-N -1 3 368.386 2.524 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1c(C)noc1C ZINC000119267054 508761132 /nfs/dbraw/zinc/76/11/32/508761132.db2.gz CEAZRZDNZKYSAO-GFCCVEGCSA-N -1 3 369.399 2.638 20 5 FFBDHM Cn1ccnc1-c1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000119658443 508837978 /nfs/dbraw/zinc/83/79/78/508837978.db2.gz VFDRQKXXDKDVOO-UHFFFAOYSA-N -1 3 369.385 2.549 20 5 FFBDHM Cn1ccnc1-c1cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000119658443 508837980 /nfs/dbraw/zinc/83/79/80/508837980.db2.gz VFDRQKXXDKDVOO-UHFFFAOYSA-N -1 3 369.385 2.549 20 5 FFBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000154790510 508856621 /nfs/dbraw/zinc/85/66/21/508856621.db2.gz LEWSRHFZKMRDPZ-AWEZNQCLSA-N -1 3 367.452 2.930 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC2CCCC2)c1C ZINC000120064763 508920402 /nfs/dbraw/zinc/92/04/02/508920402.db2.gz MKCDKHKNVMQGBC-UHFFFAOYSA-N -1 3 356.444 2.839 20 5 FFBDHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000131980762 508987053 /nfs/dbraw/zinc/98/70/53/508987053.db2.gz CUZFCWBSALPQBR-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000125671191 509014522 /nfs/dbraw/zinc/01/45/22/509014522.db2.gz DQWILEBUZUJLMA-NSHDSACASA-N -1 3 360.457 2.735 20 5 FFBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120610097 509030919 /nfs/dbraw/zinc/03/09/19/509030919.db2.gz IXVAITSBZRJLLS-NSHDSACASA-N -1 3 353.400 2.856 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000191917025 509246798 /nfs/dbraw/zinc/24/67/98/509246798.db2.gz SKKUUIDRQGJHIJ-HNNXBMFYSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000185847106 509383757 /nfs/dbraw/zinc/38/37/57/509383757.db2.gz YFURXIXQWNJIEO-ZDUSSCGKSA-N -1 3 353.425 2.789 20 5 FFBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163977842 509449262 /nfs/dbraw/zinc/44/92/62/509449262.db2.gz TXVPSKCBNZDOKJ-UHFFFAOYSA-N -1 3 355.394 2.695 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)[C@H]1COc2ccccc21 ZINC000167611107 509636962 /nfs/dbraw/zinc/63/69/62/509636962.db2.gz VMTNCNMXHCPISP-TZMCWYRMSA-N -1 3 362.407 2.746 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1[N+](=O)[O-] ZINC000249295830 509650202 /nfs/dbraw/zinc/65/02/02/509650202.db2.gz BVSJYRYVQDQCFM-ARFHVFGLSA-N -1 3 358.419 2.828 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174004355 509900298 /nfs/dbraw/zinc/90/02/98/509900298.db2.gz ZPEVBMGMBQLUPJ-SNVBAGLBSA-N -1 3 356.350 2.955 20 5 FFBDHM Cc1ccnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1[N+](=O)[O-] ZINC000265241573 509940643 /nfs/dbraw/zinc/94/06/43/509940643.db2.gz OWAVQSFKGULKHR-UHFFFAOYSA-N -1 3 356.382 2.859 20 5 FFBDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000190255109 510028761 /nfs/dbraw/zinc/02/87/61/510028761.db2.gz BJJFCQVUQQMWGD-UHFFFAOYSA-N -1 3 362.816 2.797 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)cc1C ZINC000268973692 510169870 /nfs/dbraw/zinc/16/98/70/510169870.db2.gz MOKFHXSEJCQOGI-ZDUSSCGKSA-N -1 3 354.428 2.592 20 5 FFBDHM COC(=O)c1csc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1C ZINC000180936736 510193357 /nfs/dbraw/zinc/19/33/57/510193357.db2.gz MEUSEHIIRNRHOP-UHFFFAOYSA-N -1 3 360.351 2.880 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000184557339 510387334 /nfs/dbraw/zinc/38/73/34/510387334.db2.gz MCKBVVXFOFRXTM-AWEZNQCLSA-N -1 3 355.441 2.796 20 5 FFBDHM Cc1c(C(=O)Nc2cccc(C)c2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000174954109 510403058 /nfs/dbraw/zinc/40/30/58/510403058.db2.gz ILIITYHTEGYMHY-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM O=C(Nc1nnc(SCCO)[n-]1)c1cc2ccccc2c2cccnc12 ZINC000178109062 510436683 /nfs/dbraw/zinc/43/66/83/510436683.db2.gz SGVNLLBWAIWBML-UHFFFAOYSA-N -1 3 365.418 2.843 20 5 FFBDHM O=C(Nc1nc(SCCO)n[n-]1)c1cc2ccccc2c2cccnc12 ZINC000178109062 510436689 /nfs/dbraw/zinc/43/66/89/510436689.db2.gz SGVNLLBWAIWBML-UHFFFAOYSA-N -1 3 365.418 2.843 20 5 FFBDHM O=C(Nc1n[n-]c(SCCO)n1)c1cc2ccccc2c2cccnc12 ZINC000178109062 510436693 /nfs/dbraw/zinc/43/66/93/510436693.db2.gz SGVNLLBWAIWBML-UHFFFAOYSA-N -1 3 365.418 2.843 20 5 FFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000187845153 510466078 /nfs/dbraw/zinc/46/60/78/510466078.db2.gz PHKLRABKSMSLTR-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)OC)ccc2Cl)n1 ZINC000191466532 510673994 /nfs/dbraw/zinc/67/39/94/510673994.db2.gz TVQPSAKTJWMRHR-UHFFFAOYSA-N -1 3 352.734 2.504 20 5 FFBDHM CCOC1CC(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000188304188 510699074 /nfs/dbraw/zinc/69/90/74/510699074.db2.gz KJPIZGXARFEHGA-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182147947 510783039 /nfs/dbraw/zinc/78/30/39/510783039.db2.gz ZWXTWEGGUQWWRC-ZDUSSCGKSA-N -1 3 370.409 2.651 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000172664866 510839230 /nfs/dbraw/zinc/83/92/30/510839230.db2.gz RKXJTFLNOXLMLR-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000271728306 511303001 /nfs/dbraw/zinc/30/30/01/511303001.db2.gz USRDPEJYQFMCMS-ZWNOBZJWSA-N -1 3 362.835 2.730 20 5 FFBDHM C[C@@H]1[C@@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000291938645 511399317 /nfs/dbraw/zinc/39/93/17/511399317.db2.gz UEVLNQCSIFQCIF-CJNGLKHVSA-N -1 3 355.394 2.693 20 5 FFBDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280824670 511616855 /nfs/dbraw/zinc/61/68/55/511616855.db2.gz SQJWCCMRGLCDDS-MRXNPFEDSA-N -1 3 355.394 2.867 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371538750 512454288 /nfs/dbraw/zinc/45/42/88/512454288.db2.gz MIPLVSIZMAZANF-UHFFFAOYSA-N -1 3 360.280 2.505 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000371538750 512454294 /nfs/dbraw/zinc/45/42/94/512454294.db2.gz MIPLVSIZMAZANF-UHFFFAOYSA-N -1 3 360.280 2.505 20 5 FFBDHM O=C(Nc1nc2c(s1)CSCC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000367662893 512604823 /nfs/dbraw/zinc/60/48/23/512604823.db2.gz DCHTXFVCMVGVFN-UHFFFAOYSA-N -1 3 361.408 2.969 20 5 FFBDHM O=C([O-])c1cnc(NC[C@@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000390437508 512907359 /nfs/dbraw/zinc/90/73/59/512907359.db2.gz SYRVFOFZBDMMRD-HNNXBMFYSA-N -1 3 356.382 2.765 20 5 FFBDHM C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN(Cc2ccccc2)C1 ZINC000406059632 512972916 /nfs/dbraw/zinc/97/29/16/512972916.db2.gz LYPLNCKUIIQTHO-LJQANCHMSA-N -1 3 355.394 2.695 20 5 FFBDHM CCOCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416373012 513738192 /nfs/dbraw/zinc/73/81/92/513738192.db2.gz PXRAMDZUNOSHSE-UHFFFAOYSA-N -1 3 370.349 2.709 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000436156918 513777464 /nfs/dbraw/zinc/77/74/64/513777464.db2.gz ACWSREFYZZMQMR-HNNXBMFYSA-N -1 3 368.386 2.708 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CC[C@@H](F)C1 ZINC000416480913 513793043 /nfs/dbraw/zinc/79/30/43/513793043.db2.gz BAQRUBYGYCFVDI-BDAKNGLRSA-N -1 3 356.297 2.783 20 5 FFBDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000416503691 513806536 /nfs/dbraw/zinc/80/65/36/513806536.db2.gz QUGNLBCCJPHTIF-JTQLQIEISA-N -1 3 362.835 2.732 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc2c(s1)CCC2 ZINC000416527199 513817778 /nfs/dbraw/zinc/81/77/78/513817778.db2.gz ARUYFJPNYCITDJ-QMMMGPOBSA-N -1 3 371.415 2.719 20 5 FFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000416577600 513843412 /nfs/dbraw/zinc/84/34/12/513843412.db2.gz BERDREMSHHMHAP-VXNVDRBHSA-N -1 3 370.374 2.786 20 5 FFBDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000443271135 513916923 /nfs/dbraw/zinc/91/69/23/513916923.db2.gz ISDSQNDARHJSFW-UHFFFAOYSA-N -1 3 358.460 2.821 20 5 FFBDHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CC1 ZINC000431576251 513934570 /nfs/dbraw/zinc/93/45/70/513934570.db2.gz CCFMJJTZFOYBQR-HAQNSBGRSA-N -1 3 370.427 2.629 20 5 FFBDHM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1[O-] ZINC000436802147 513985989 /nfs/dbraw/zinc/98/59/89/513985989.db2.gz YJZKEFNODOJJPY-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)c1C ZINC000451812304 513994894 /nfs/dbraw/zinc/99/48/94/513994894.db2.gz CIHNHSLIZFWHKT-ZBFHGGJFSA-N -1 3 370.471 2.941 20 5 FFBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451822108 514004575 /nfs/dbraw/zinc/00/45/75/514004575.db2.gz GCKATGCDLWQKJF-BDAKNGLRSA-N -1 3 352.334 2.938 20 5 FFBDHM COc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000436883911 514019628 /nfs/dbraw/zinc/01/96/28/514019628.db2.gz CZRRGPCSTICCGP-UHFFFAOYSA-N -1 3 350.758 2.935 20 5 FFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(-c2ccccc2)n[nH]1 ZINC000426806383 514045467 /nfs/dbraw/zinc/04/54/67/514045467.db2.gz JHRIFOSCNPDUHG-KRWDZBQOSA-N -1 3 366.377 2.770 20 5 FFBDHM C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CN1Cc1ccccc1 ZINC000436971276 514055860 /nfs/dbraw/zinc/05/58/60/514055860.db2.gz IHEKLUWZQUEGQM-HIFRSBDPSA-N -1 3 355.394 2.693 20 5 FFBDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(F)(F)F ZINC000443939995 514076952 /nfs/dbraw/zinc/07/69/52/514076952.db2.gz DYANPOUSGSFZAA-UFBFGSQYSA-N -1 3 370.349 2.859 20 5 FFBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000452041390 514155551 /nfs/dbraw/zinc/15/55/51/514155551.db2.gz CXPLTHDDVYHUDY-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000427841766 514331328 /nfs/dbraw/zinc/33/13/28/514331328.db2.gz IYAQYGGPXDNOPC-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FFBDHM CCCc1ccc(-c2cc(=NC(=O)c3nn(CC)cc3[N+](=O)[O-])[nH][n-]2)cc1 ZINC000427949974 514353832 /nfs/dbraw/zinc/35/38/32/514353832.db2.gz LAZGINUFYXPMDJ-UHFFFAOYSA-N -1 3 368.397 2.828 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000466521231 514673986 /nfs/dbraw/zinc/67/39/86/514673986.db2.gz WEKXUSHWGDIDTB-UHFFFAOYSA-N -1 3 361.832 2.746 20 5 FFBDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000502713452 514749291 /nfs/dbraw/zinc/74/92/91/514749291.db2.gz XGBKJYDFFWKEPE-CQSZACIVSA-N -1 3 355.460 2.528 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000480021680 514812914 /nfs/dbraw/zinc/81/29/14/514812914.db2.gz PIZJYBCXZDJTPU-CQSZACIVSA-N -1 3 368.411 2.861 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CCC(=O)OC(C)C)c1C ZINC000480746974 515068001 /nfs/dbraw/zinc/06/80/01/515068001.db2.gz SSHHAJIUNJVBAI-GFCCVEGCSA-N -1 3 372.443 2.610 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000480860947 515115215 /nfs/dbraw/zinc/11/52/15/515115215.db2.gz CLTRZKQBWQUWBC-OAHLLOKOSA-N -1 3 368.455 2.896 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CN2CCCCCC2)cc1[N+](=O)[O-] ZINC000476599791 515123438 /nfs/dbraw/zinc/12/34/38/515123438.db2.gz BPMFIUJNULYPMA-LLVKDONJSA-N -1 3 361.489 2.508 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c(C)nn(C)c1C ZINC000462619729 515156659 /nfs/dbraw/zinc/15/66/59/515156659.db2.gz QLOKGEIAGIIPLY-CYBMUJFWSA-N -1 3 370.406 2.514 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000481024562 515176308 /nfs/dbraw/zinc/17/63/08/515176308.db2.gz OZVVIAVXYNAAFG-SNVBAGLBSA-N -1 3 354.359 2.782 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccnc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000481052850 515187929 /nfs/dbraw/zinc/18/79/29/515187929.db2.gz QYUKJVOKKZIAKN-UHFFFAOYSA-N -1 3 370.818 2.818 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCOCC1 ZINC000481068915 515195910 /nfs/dbraw/zinc/19/59/10/515195910.db2.gz HRQRTWWOTGGWTC-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM CC(C)Cn1cnc(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000490458743 515221397 /nfs/dbraw/zinc/22/13/97/515221397.db2.gz OHLBYUBOCMONTB-UHFFFAOYSA-N -1 3 366.443 2.661 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2NC)c([O-])c1 ZINC000462757441 515225988 /nfs/dbraw/zinc/22/59/88/515225988.db2.gz AYNBOTFRAPKGRT-UHFFFAOYSA-N -1 3 359.338 2.771 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(N3CCNC3=O)ccc2F)c1 ZINC000468205257 515262258 /nfs/dbraw/zinc/26/22/58/515262258.db2.gz GYBXRXNIHKQLGB-UHFFFAOYSA-N -1 3 374.328 2.524 20 5 FFBDHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509807865 515331522 /nfs/dbraw/zinc/33/15/22/515331522.db2.gz SLNIDCWOULUGKJ-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491189292 515393531 /nfs/dbraw/zinc/39/35/31/515393531.db2.gz VABKXANPVHESCP-GWCFXTLKSA-N -1 3 360.407 2.990 20 5 FFBDHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000499642106 515397469 /nfs/dbraw/zinc/39/74/69/515397469.db2.gz MKSYPSBAKGDWCW-UFBFGSQYSA-N -1 3 363.233 2.824 20 5 FFBDHM CCCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCC1 ZINC000491609648 515461542 /nfs/dbraw/zinc/46/15/42/515461542.db2.gz JEEKCJBAGGUQJL-UHFFFAOYSA-N -1 3 360.407 2.991 20 5 FFBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000486655105 515583170 /nfs/dbraw/zinc/58/31/70/515583170.db2.gz STOZQRBRBFUZFM-KOLCDFICSA-N -1 3 367.431 2.574 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccncc1F ZINC000510598114 515602140 /nfs/dbraw/zinc/60/21/40/515602140.db2.gz GPXGDVMNALHKFD-MRVPVSSYSA-N -1 3 359.766 2.822 20 5 FFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473847362 515774258 /nfs/dbraw/zinc/77/42/58/515774258.db2.gz BZUMTARJRIVELP-CYBMUJFWSA-N -1 3 362.411 2.956 20 5 FFBDHM CCSc1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccn1 ZINC000494273826 515791198 /nfs/dbraw/zinc/79/11/98/515791198.db2.gz LCAABFOWROFYEQ-UHFFFAOYSA-N -1 3 367.452 2.889 20 5 FFBDHM CC(=O)c1cccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000487315108 515826261 /nfs/dbraw/zinc/82/62/61/515826261.db2.gz FUNIXNMXFYEQNK-UHFFFAOYSA-N -1 3 350.334 2.862 20 5 FFBDHM CCc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000469493727 515837938 /nfs/dbraw/zinc/83/79/38/515837938.db2.gz JPDKEZLCPZMAAF-UHFFFAOYSA-N -1 3 353.338 2.696 20 5 FFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc([N+](=O)[O-])s1 ZINC000511300932 515857109 /nfs/dbraw/zinc/85/71/09/515857109.db2.gz LJILHWBWYDYGCR-UHFFFAOYSA-N -1 3 367.184 2.741 20 5 FFBDHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506475735 515892701 /nfs/dbraw/zinc/89/27/01/515892701.db2.gz YSLDHNOSCXBGMM-MRXNPFEDSA-N -1 3 355.394 2.695 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000507435017 516210515 /nfs/dbraw/zinc/21/05/15/516210515.db2.gz JWBSTDKSZGDICK-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497567794 516326618 /nfs/dbraw/zinc/32/66/18/516326618.db2.gz MITCKECDSREWRE-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cs1 ZINC000543678554 516362528 /nfs/dbraw/zinc/36/25/28/516362528.db2.gz URJNNAJBCKRLAL-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM COCc1cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000551668837 516811204 /nfs/dbraw/zinc/81/12/04/516811204.db2.gz VPGBJAGBSSOJII-UHFFFAOYSA-N -1 3 356.132 2.744 20 5 FFBDHM Cc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000555414579 516918086 /nfs/dbraw/zinc/91/80/86/516918086.db2.gz WYYREMZRUNJENE-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM CC(C)c1ccc(C(=O)N=c2[n-]n(C)cc2Br)cc1[N+](=O)[O-] ZINC000519534586 517030928 /nfs/dbraw/zinc/03/09/28/517030928.db2.gz BCDCMNZNXPPQCU-UHFFFAOYSA-N -1 3 367.203 2.888 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000548613090 517087255 /nfs/dbraw/zinc/08/72/55/517087255.db2.gz ZZIYKEBVFXIEIZ-SFHVURJKSA-N -1 3 354.366 2.570 20 5 FFBDHM CC(=O)N1CCc2c1cccc2NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000545306595 517163787 /nfs/dbraw/zinc/16/37/87/517163787.db2.gz FQFBWNZWRRBEQN-UHFFFAOYSA-N -1 3 365.349 2.632 20 5 FFBDHM O=C([N-]c1cc(F)c(N2CCOCC2)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000552752032 517379611 /nfs/dbraw/zinc/37/96/11/517379611.db2.gz PFGCXLCUUAQNJH-UHFFFAOYSA-N -1 3 353.281 2.555 20 5 FFBDHM CC(C)(C)n1cnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000542246028 517460576 /nfs/dbraw/zinc/46/05/76/517460576.db2.gz CAGMIBOPHIFREI-UHFFFAOYSA-N -1 3 368.191 2.956 20 5 FFBDHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000549235001 517468336 /nfs/dbraw/zinc/46/83/36/517468336.db2.gz POAFDSULLNWSTB-QWRGUYRKSA-N -1 3 360.407 2.606 20 5 FFBDHM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000520747017 517497955 /nfs/dbraw/zinc/49/79/55/517497955.db2.gz QGEWCAWCECNZLJ-LBPRGKRZSA-N -1 3 352.387 2.952 20 5 FFBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000533712243 517582880 /nfs/dbraw/zinc/58/28/80/517582880.db2.gz IUKMQABCZRPUSM-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM COCc1nc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)sc1C(=O)OC ZINC000560155516 517610422 /nfs/dbraw/zinc/61/04/22/517610422.db2.gz ZYVVTXDHSOIHHH-UHFFFAOYSA-N -1 3 371.396 2.607 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000553567175 517787846 /nfs/dbraw/zinc/78/78/46/517787846.db2.gz OYGDXQIWIUBOJV-VIFPVBQESA-N -1 3 350.849 2.670 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccc2ccccc2n1 ZINC000521666047 517819244 /nfs/dbraw/zinc/81/92/44/517819244.db2.gz BMMTVBZAQBYDMK-UHFFFAOYSA-N -1 3 371.418 2.972 20 5 FFBDHM O=C([N-]c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncsc1C(F)(F)F ZINC000560613883 517930452 /nfs/dbraw/zinc/93/04/52/517930452.db2.gz SAMIAWFTNWIRGA-UHFFFAOYSA-N -1 3 357.273 2.621 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c(Cl)c1 ZINC000543168043 517943583 /nfs/dbraw/zinc/94/35/83/517943583.db2.gz YODPSSOJLMTKLV-SNVBAGLBSA-N -1 3 350.849 2.812 20 5 FFBDHM Nc1c(C(=O)Nc2ccc(Br)cc2[O-])cccc1[N+](=O)[O-] ZINC000530909880 518046435 /nfs/dbraw/zinc/04/64/35/518046435.db2.gz MDBPEDIOJANALR-UHFFFAOYSA-N -1 3 352.144 2.897 20 5 FFBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000539763889 518155920 /nfs/dbraw/zinc/15/59/20/518155920.db2.gz BVZGFCDJBFBCTN-GFCCVEGCSA-N -1 3 362.835 2.873 20 5 FFBDHM O=C([N-]c1nncn1C1CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000578449152 518216478 /nfs/dbraw/zinc/21/64/78/518216478.db2.gz FQNZZJIHYOQKJS-UHFFFAOYSA-N -1 3 352.148 2.536 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc([O-])ccc2C(F)(F)F)n1 ZINC000584198237 518222724 /nfs/dbraw/zinc/22/27/24/518222724.db2.gz AUGQYHRJXGYQKA-UHFFFAOYSA-N -1 3 355.232 2.770 20 5 FFBDHM CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 ZINC000566925861 518269339 /nfs/dbraw/zinc/26/93/39/518269339.db2.gz JPERCLGJZKQAQF-AWEZNQCLSA-N -1 3 363.801 2.987 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000578774708 518368064 /nfs/dbraw/zinc/36/80/64/518368064.db2.gz MEMBQVUNUIIWLU-INIZCTEOSA-N -1 3 370.409 2.667 20 5 FFBDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000570825434 518799515 /nfs/dbraw/zinc/79/95/15/518799515.db2.gz UJLXCAJCXKQDQG-UHFFFAOYSA-N -1 3 354.366 2.773 20 5 FFBDHM CCOCCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1CC ZINC000571049137 518903508 /nfs/dbraw/zinc/90/35/08/518903508.db2.gz FQJDKCIPFJMZJZ-AWEZNQCLSA-N -1 3 365.430 2.539 20 5 FFBDHM COCc1ccccc1CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000568679104 519160415 /nfs/dbraw/zinc/16/04/15/519160415.db2.gz YWUUTORPUYTQGH-UHFFFAOYSA-N -1 3 350.396 2.992 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000574817905 519347745 /nfs/dbraw/zinc/34/77/45/519347745.db2.gz FMUAKDQCDBSISM-GFCCVEGCSA-N -1 3 352.334 2.776 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c(Cl)c1 ZINC000594472845 519983205 /nfs/dbraw/zinc/98/32/05/519983205.db2.gz GRJRXJXGOYQYQV-UKRRQHHQSA-N -1 3 374.846 2.874 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)cc1C ZINC000594475243 519985749 /nfs/dbraw/zinc/98/57/49/519985749.db2.gz UBNUMHNPXZLRFU-NVXWUHKLSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594484097 519992644 /nfs/dbraw/zinc/99/26/44/519992644.db2.gz SAJZTWDXWISUML-HUUCEWRRSA-N -1 3 367.471 2.507 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)c1[N+](=O)[O-] ZINC000616417607 520007172 /nfs/dbraw/zinc/00/71/72/520007172.db2.gz WAGSYRPLXPUAFE-UHFFFAOYSA-N -1 3 353.400 2.802 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000603958631 520415205 /nfs/dbraw/zinc/41/52/05/520415205.db2.gz DMSMIPHHPWMGAQ-ZWNOBZJWSA-N -1 3 366.395 2.798 20 5 FFBDHM CCSC1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000595351067 520421968 /nfs/dbraw/zinc/42/19/68/520421968.db2.gz MVCVBFDOOXIEMU-UHFFFAOYSA-N -1 3 367.452 2.707 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC2CCCCCC2)c(F)c1 ZINC000609824684 520446839 /nfs/dbraw/zinc/44/68/39/520446839.db2.gz JZZLMBNBSKOQBK-UHFFFAOYSA-N -1 3 360.407 2.752 20 5 FFBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]21 ZINC000610266068 520612375 /nfs/dbraw/zinc/61/23/75/520612375.db2.gz MHAFYNFPMQIRAK-LERXQTSPSA-N -1 3 374.846 2.730 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](N(C)Cc3ccccc3)C2)n1 ZINC000592976098 520667405 /nfs/dbraw/zinc/66/74/05/520667405.db2.gz COKAMDJZZXMCGB-HNNXBMFYSA-N -1 3 370.409 2.707 20 5 FFBDHM O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000614009723 520762585 /nfs/dbraw/zinc/76/25/85/520762585.db2.gz AOOYQNCRQWRMKI-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])s1 ZINC000601375556 520762674 /nfs/dbraw/zinc/76/26/74/520762674.db2.gz XQCBPVAMBAXZGE-LLVKDONJSA-N -1 3 360.457 2.735 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601383473 520768028 /nfs/dbraw/zinc/76/80/28/520768028.db2.gz QLQMXWBADHFKLG-PWSUYJOCSA-N -1 3 362.473 2.837 20 5 FFBDHM CC(C)n1cnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000593234581 520847568 /nfs/dbraw/zinc/84/75/68/520847568.db2.gz WDHDKFFEVRPMJX-UHFFFAOYSA-N -1 3 354.164 2.782 20 5 FFBDHM C[C@@H]1CN(Cc2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000596077743 520897876 /nfs/dbraw/zinc/89/78/76/520897876.db2.gz ATZYRZKUIJRMLI-OKILXGFUSA-N -1 3 372.425 2.917 20 5 FFBDHM O=c1[n-]ccc(NCCc2ccc(OCC(F)(F)F)nc2)c1[N+](=O)[O-] ZINC000596194104 520962714 /nfs/dbraw/zinc/96/27/14/520962714.db2.gz CPGJKCMKJUHIMP-UHFFFAOYSA-N -1 3 358.276 2.686 20 5 FFBDHM O=c1[n-]ccc(NCCCCn2cc(Br)cn2)c1[N+](=O)[O-] ZINC000596221405 520977288 /nfs/dbraw/zinc/97/72/88/520977288.db2.gz GSGHUXGXPADKCW-UHFFFAOYSA-N -1 3 356.180 2.547 20 5 FFBDHM O=c1[n-]ccc(N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000596263812 520999620 /nfs/dbraw/zinc/99/96/20/520999620.db2.gz GRSKLAJMCJIKEW-LLVKDONJSA-N -1 3 361.320 2.881 20 5 FFBDHM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000611292097 521083238 /nfs/dbraw/zinc/08/32/38/521083238.db2.gz QVFXKASQWNEWEV-SNVBAGLBSA-N -1 3 355.803 2.991 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)nc1 ZINC000593588918 521094495 /nfs/dbraw/zinc/09/44/95/521094495.db2.gz OHJJUGQUFXAMOM-GJZGRUSLSA-N -1 3 361.423 2.680 20 5 FFBDHM COc1cc(CN(CCC(=O)[O-])C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000593745775 521189823 /nfs/dbraw/zinc/18/98/23/521189823.db2.gz BKBGHMQVZCNYNB-UHFFFAOYSA-N -1 3 362.329 2.890 20 5 FFBDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000599444721 521229700 /nfs/dbraw/zinc/22/97/00/521229700.db2.gz COCFAVRSZDGOMZ-UHFFFAOYSA-N -1 3 366.386 2.953 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC000619486856 521593897 /nfs/dbraw/zinc/59/38/97/521593897.db2.gz DDJANVHGYFIREX-OLZOCXBDSA-N -1 3 354.428 2.851 20 5 FFBDHM O=C(CNC(=O)C1CCCCC1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523832502 562220552 /nfs/dbraw/zinc/22/05/52/562220552.db2.gz YKEQVEYNNNLGQD-UHFFFAOYSA-N -1 3 371.397 2.620 20 5 FFBDHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736232462 599060506 /nfs/dbraw/zinc/06/05/06/599060506.db2.gz DLDWWEOYEDYHMC-WCQYABFASA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1C[C@@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736232462 599060509 /nfs/dbraw/zinc/06/05/09/599060509.db2.gz DLDWWEOYEDYHMC-WCQYABFASA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736232461 599060558 /nfs/dbraw/zinc/06/05/58/599060558.db2.gz DLDWWEOYEDYHMC-DGCLKSJQSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@@H](c2ccccc2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736232461 599060560 /nfs/dbraw/zinc/06/05/60/599060560.db2.gz DLDWWEOYEDYHMC-DGCLKSJQSA-N -1 3 351.370 2.552 20 5 FFBDHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000737947931 599110944 /nfs/dbraw/zinc/11/09/44/599110944.db2.gz TYANLLHJELYOSO-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000737947931 599110945 /nfs/dbraw/zinc/11/09/45/599110945.db2.gz TYANLLHJELYOSO-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM Cc1c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1-c1nnn[n-]1 ZINC000822092775 607287689 /nfs/dbraw/zinc/28/76/89/607287689.db2.gz ZACDTVHTJVFNJE-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1c(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1-c1nn[n-]n1 ZINC000822092775 607287690 /nfs/dbraw/zinc/28/76/90/607287690.db2.gz ZACDTVHTJVFNJE-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCOc1ccccc1[N+](=O)[O-] ZINC000737222412 599283498 /nfs/dbraw/zinc/28/34/98/599283498.db2.gz YPVYRSOYJBEGEX-UHFFFAOYSA-N -1 3 355.354 2.850 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738357666 598246428 /nfs/dbraw/zinc/24/64/28/598246428.db2.gz IILGKFROEPKGSW-CYBMUJFWSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](c2cccc(F)c2)C1 ZINC000738357666 598246430 /nfs/dbraw/zinc/24/64/30/598246430.db2.gz IILGKFROEPKGSW-CYBMUJFWSA-N -1 3 354.345 2.908 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737797164 598591878 /nfs/dbraw/zinc/59/18/78/598591878.db2.gz IQFSPVWSOOOSPG-BAQGIRSFSA-N -1 3 354.301 2.566 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737797164 598591879 /nfs/dbraw/zinc/59/18/79/598591879.db2.gz IQFSPVWSOOOSPG-BAQGIRSFSA-N -1 3 354.301 2.566 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1[N+](=O)[O-] ZINC000735648021 598663742 /nfs/dbraw/zinc/66/37/42/598663742.db2.gz KBLCKBUDEXORMX-UHFFFAOYSA-N -1 3 367.369 2.720 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000735648021 598663745 /nfs/dbraw/zinc/66/37/45/598663745.db2.gz KBLCKBUDEXORMX-UHFFFAOYSA-N -1 3 367.369 2.720 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OCC3CC3)cc2)c(-c2nnn[n-]2)c1 ZINC000738374205 598818382 /nfs/dbraw/zinc/81/83/82/598818382.db2.gz KXSGMLHPKQFODF-UHFFFAOYSA-N -1 3 353.342 2.702 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(OCC3CC3)cc2)c(-c2nn[n-]n2)c1 ZINC000738374205 598818384 /nfs/dbraw/zinc/81/83/84/598818384.db2.gz KXSGMLHPKQFODF-UHFFFAOYSA-N -1 3 353.342 2.702 20 5 FFBDHM COc1ccccc1C[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737152143 599324304 /nfs/dbraw/zinc/32/43/04/599324304.db2.gz HUDOWUXZSDFQPP-LBPRGKRZSA-N -1 3 368.397 2.851 20 5 FFBDHM COc1ccccc1C[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737152143 599324306 /nfs/dbraw/zinc/32/43/06/599324306.db2.gz HUDOWUXZSDFQPP-LBPRGKRZSA-N -1 3 368.397 2.851 20 5 FFBDHM C[C@@H](OCCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820518778 599326604 /nfs/dbraw/zinc/32/66/04/599326604.db2.gz KPOBNSAJKWFHFJ-GFCCVEGCSA-N -1 3 369.385 2.750 20 5 FFBDHM C[C@@H](OCCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820518778 599326605 /nfs/dbraw/zinc/32/66/05/599326605.db2.gz KPOBNSAJKWFHFJ-GFCCVEGCSA-N -1 3 369.385 2.750 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651418 599337134 /nfs/dbraw/zinc/33/71/34/599337134.db2.gz JALPTVWRLCKBJJ-UHFFFAOYSA-N -1 3 366.385 2.904 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651418 599337137 /nfs/dbraw/zinc/33/71/37/599337137.db2.gz JALPTVWRLCKBJJ-UHFFFAOYSA-N -1 3 366.385 2.904 20 5 FFBDHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736231105 599472078 /nfs/dbraw/zinc/47/20/78/599472078.db2.gz BAWRKWMMXWRHOX-CMPLNLGQSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736231105 599472080 /nfs/dbraw/zinc/47/20/80/599472080.db2.gz BAWRKWMMXWRHOX-CMPLNLGQSA-N -1 3 369.360 2.691 20 5 FFBDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822169183 599517668 /nfs/dbraw/zinc/51/76/68/599517668.db2.gz YVSXHZJSRHIINU-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822169183 599517670 /nfs/dbraw/zinc/51/76/70/599517670.db2.gz YVSXHZJSRHIINU-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM CCCCN(CCOC)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821065742 599546291 /nfs/dbraw/zinc/54/62/91/599546291.db2.gz LYCHEAXFWDUHAO-UHFFFAOYSA-N -1 3 371.401 2.576 20 5 FFBDHM CCCCN(CCOC)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821065742 599546292 /nfs/dbraw/zinc/54/62/92/599546292.db2.gz LYCHEAXFWDUHAO-UHFFFAOYSA-N -1 3 371.401 2.576 20 5 FFBDHM CC(=O)N(C)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000819789600 599688743 /nfs/dbraw/zinc/68/87/43/599688743.db2.gz VMQSDTWAWVJTLW-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM CC(=O)N(C)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000819789600 599688744 /nfs/dbraw/zinc/68/87/44/599688744.db2.gz VMQSDTWAWVJTLW-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC000826498371 607465543 /nfs/dbraw/zinc/46/55/43/607465543.db2.gz RYGZGSBKUWAHSC-UHFFFAOYSA-N -1 3 350.260 2.804 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000826498371 607465545 /nfs/dbraw/zinc/46/55/45/607465545.db2.gz RYGZGSBKUWAHSC-UHFFFAOYSA-N -1 3 350.260 2.804 20 5 FFBDHM O=[N+]([O-])c1ccc(SCc2cn3ccccc3c2-c2nnn[n-]2)nc1 ZINC000823645943 607466797 /nfs/dbraw/zinc/46/67/97/607466797.db2.gz XGDGUZNKQFMQBK-UHFFFAOYSA-N -1 3 353.367 2.715 20 5 FFBDHM O=[N+]([O-])c1ccc(SCc2cn3ccccc3c2-c2nn[n-]n2)nc1 ZINC000823645943 607466799 /nfs/dbraw/zinc/46/67/99/607466799.db2.gz XGDGUZNKQFMQBK-UHFFFAOYSA-N -1 3 353.367 2.715 20 5 FFBDHM CC[C@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820932978 607467339 /nfs/dbraw/zinc/46/73/39/607467339.db2.gz RWTMKOSMQFQKKZ-HNNXBMFYSA-N -1 3 368.397 2.552 20 5 FFBDHM CC[C@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820932978 607467341 /nfs/dbraw/zinc/46/73/41/607467341.db2.gz RWTMKOSMQFQKKZ-HNNXBMFYSA-N -1 3 368.397 2.552 20 5 FFBDHM CN(CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000739685807 602876612 /nfs/dbraw/zinc/87/66/12/602876612.db2.gz WOAMKXSKSMIINK-UHFFFAOYSA-N -1 3 350.400 2.808 20 5 FFBDHM C[C@]1(NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833568381 604814726 /nfs/dbraw/zinc/81/47/26/604814726.db2.gz DKRJNQFADSXWEJ-DYVFJYSZSA-N -1 3 360.370 2.768 20 5 FFBDHM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409156 604931763 /nfs/dbraw/zinc/93/17/63/604931763.db2.gz KKEYJUQPECHSHG-CHWSQXEVSA-N -1 3 363.414 2.745 20 5 FFBDHM C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820397777 606117082 /nfs/dbraw/zinc/11/70/82/606117082.db2.gz SXHWAPHDHPNPQO-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820397777 606117083 /nfs/dbraw/zinc/11/70/83/606117083.db2.gz SXHWAPHDHPNPQO-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM CC1(C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820607745 606231122 /nfs/dbraw/zinc/23/11/22/606231122.db2.gz YWBFPEVWNJPTGK-UHFFFAOYSA-N -1 3 371.426 2.655 20 5 FFBDHM CC1(C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCS1 ZINC000820607745 606231124 /nfs/dbraw/zinc/23/11/24/606231124.db2.gz YWBFPEVWNJPTGK-UHFFFAOYSA-N -1 3 371.426 2.655 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821845977 606355096 /nfs/dbraw/zinc/35/50/96/606355096.db2.gz MWURRJXSFMHLDS-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821845977 606355098 /nfs/dbraw/zinc/35/50/98/606355098.db2.gz MWURRJXSFMHLDS-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000823647250 606433132 /nfs/dbraw/zinc/43/31/32/606433132.db2.gz IVOQZDSHYNIRHF-UHFFFAOYSA-N -1 3 369.360 2.693 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC(c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000823647250 606433134 /nfs/dbraw/zinc/43/31/34/606433134.db2.gz IVOQZDSHYNIRHF-UHFFFAOYSA-N -1 3 369.360 2.693 20 5 FFBDHM O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823444930 606463912 /nfs/dbraw/zinc/46/39/12/606463912.db2.gz QWDACEFNJAPMSV-UHFFFAOYSA-N -1 3 351.731 2.709 20 5 FFBDHM O=C(Oc1cc(Cl)ccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823444930 606463914 /nfs/dbraw/zinc/46/39/14/606463914.db2.gz QWDACEFNJAPMSV-UHFFFAOYSA-N -1 3 351.731 2.709 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCS3)cc(-c3nnn[n-]3)c2c1 ZINC000823645489 606800470 /nfs/dbraw/zinc/80/04/70/606800470.db2.gz RDRGQMUZPXATHD-SNVBAGLBSA-N -1 3 357.399 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCS3)cc(-c3nn[n-]n3)c2c1 ZINC000823645489 606800471 /nfs/dbraw/zinc/80/04/71/606800471.db2.gz RDRGQMUZPXATHD-SNVBAGLBSA-N -1 3 357.399 2.631 20 5 FFBDHM C[C@H](Cc1ccc(O)cc1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820299868 606908352 /nfs/dbraw/zinc/90/83/52/606908352.db2.gz LYHXQZIKEPJBMJ-LLVKDONJSA-N -1 3 354.370 2.548 20 5 FFBDHM C[C@H](Cc1ccc(O)cc1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820299868 606908353 /nfs/dbraw/zinc/90/83/53/606908353.db2.gz LYHXQZIKEPJBMJ-LLVKDONJSA-N -1 3 354.370 2.548 20 5 FFBDHM Cc1ccccc1CC1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000822356406 606945166 /nfs/dbraw/zinc/94/51/66/606945166.db2.gz RDOJTCUDSGSFKG-UHFFFAOYSA-N -1 3 350.382 2.762 20 5 FFBDHM Cc1ccccc1CC1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000822356406 606945167 /nfs/dbraw/zinc/94/51/67/606945167.db2.gz RDOJTCUDSGSFKG-UHFFFAOYSA-N -1 3 350.382 2.762 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822333170 607015899 /nfs/dbraw/zinc/01/58/99/607015899.db2.gz ZINRIIOEAOKOIF-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822333170 607015900 /nfs/dbraw/zinc/01/59/00/607015900.db2.gz ZINRIIOEAOKOIF-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1csc([N+](=O)[O-])c1 ZINC000823318875 607243367 /nfs/dbraw/zinc/24/33/67/607243367.db2.gz MOVAWOYKDVPSID-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1csc([N+](=O)[O-])c1 ZINC000823318875 607243368 /nfs/dbraw/zinc/24/33/68/607243368.db2.gz MOVAWOYKDVPSID-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822930318 607244817 /nfs/dbraw/zinc/24/48/17/607244817.db2.gz YWJRQIFQRZXPDV-FPYGCLRLSA-N -1 3 355.285 2.533 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822930318 607244818 /nfs/dbraw/zinc/24/48/18/607244818.db2.gz YWJRQIFQRZXPDV-FPYGCLRLSA-N -1 3 355.285 2.533 20 5 FFBDHM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824788608 607821240 /nfs/dbraw/zinc/82/12/40/607821240.db2.gz BQEPWTNTELYYMQ-JTQLQIEISA-N -1 3 369.385 2.693 20 5 FFBDHM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824788608 607821241 /nfs/dbraw/zinc/82/12/41/607821241.db2.gz BQEPWTNTELYYMQ-JTQLQIEISA-N -1 3 369.385 2.693 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@@H](O)c1cccc(Cl)c1 ZINC000826499495 607876632 /nfs/dbraw/zinc/87/66/32/607876632.db2.gz KVINQLAVHPHGGY-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@@H](O)c1cccc(Cl)c1 ZINC000826499495 607876633 /nfs/dbraw/zinc/87/66/33/607876633.db2.gz KVINQLAVHPHGGY-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826455002 608160552 /nfs/dbraw/zinc/16/05/52/608160552.db2.gz VGLDBJUMNSUWRO-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826455002 608160554 /nfs/dbraw/zinc/16/05/54/608160554.db2.gz VGLDBJUMNSUWRO-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1OC(F)F ZINC000826498981 608176457 /nfs/dbraw/zinc/17/64/57/608176457.db2.gz QVYJPHVLRUAMQM-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2cccc(-c3nn[n-]n3)c2)cc1OC(F)F ZINC000826498981 608176458 /nfs/dbraw/zinc/17/64/58/608176458.db2.gz QVYJPHVLRUAMQM-UHFFFAOYSA-N -1 3 362.296 2.988 20 5 FFBDHM C[C@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1C ZINC000824963092 608303399 /nfs/dbraw/zinc/30/33/99/608303399.db2.gz ZJBKLZGVXUVYQW-QWRGUYRKSA-N -1 3 353.386 2.805 20 5 FFBDHM C[C@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC[C@@H]1C ZINC000824963092 608303400 /nfs/dbraw/zinc/30/34/00/608303400.db2.gz ZJBKLZGVXUVYQW-QWRGUYRKSA-N -1 3 353.386 2.805 20 5 FFBDHM Cc1sc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1[N+](=O)[O-] ZINC000826349365 608441676 /nfs/dbraw/zinc/44/16/76/608441676.db2.gz FTSMSWXBZACPPF-UHFFFAOYSA-N -1 3 363.330 2.641 20 5 FFBDHM Cc1sc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1[N+](=O)[O-] ZINC000826349365 608441678 /nfs/dbraw/zinc/44/16/78/608441678.db2.gz FTSMSWXBZACPPF-UHFFFAOYSA-N -1 3 363.330 2.641 20 5 FFBDHM COc1cc(NCc2cc(-c3nnn[n-]3)ccc2F)c(F)cc1[N+](=O)[O-] ZINC000826180717 608548141 /nfs/dbraw/zinc/54/81/41/608548141.db2.gz TYUPIHHJWBGKIJ-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM COc1cc(NCc2cc(-c3nn[n-]n3)ccc2F)c(F)cc1[N+](=O)[O-] ZINC000826180717 608548142 /nfs/dbraw/zinc/54/81/42/608548142.db2.gz TYUPIHHJWBGKIJ-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM CN(Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825954123 609171792 /nfs/dbraw/zinc/17/17/92/609171792.db2.gz WLCJBRSJZQWJBP-UHFFFAOYSA-N -1 3 364.287 2.829 20 5 FFBDHM CN(Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825954123 609171794 /nfs/dbraw/zinc/17/17/94/609171794.db2.gz WLCJBRSJZQWJBP-UHFFFAOYSA-N -1 3 364.287 2.829 20 5 FFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc([N+](=O)[O-])cc1F ZINC000825782525 609302629 /nfs/dbraw/zinc/30/26/29/609302629.db2.gz GKOBNEDABTVFKS-UHFFFAOYSA-N -1 3 353.317 2.951 20 5 FFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc([N+](=O)[O-])cc1F ZINC000825782525 609302631 /nfs/dbraw/zinc/30/26/31/609302631.db2.gz GKOBNEDABTVFKS-UHFFFAOYSA-N -1 3 353.317 2.951 20 5 FFBDHM O=C(Nc1cc(-c2cccc(Cl)c2)[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618370074 676337438 /nfs/dbraw/zinc/33/74/38/676337438.db2.gz UTTGNJPVBJPOKQ-UHFFFAOYSA-N -1 3 359.729 2.991 20 5 FFBDHM CN1CCCc2ccc(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3F)cc21 ZINC000179624297 729190776 /nfs/dbraw/zinc/19/07/76/729190776.db2.gz CCMJHMAEZHMTRZ-UHFFFAOYSA-N -1 3 365.386 2.917 20 5 FFBDHM CN(C)Cc1csc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000927767940 738780840 /nfs/dbraw/zinc/78/08/40/738780840.db2.gz GCDJCYXVHAEZLV-UHFFFAOYSA-N -1 3 370.381 2.521 20 5 FFBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCCNC1=O ZINC000783599671 738818431 /nfs/dbraw/zinc/81/84/31/738818431.db2.gz GOZKLCXLJUUIHW-UHFFFAOYSA-N -1 3 352.416 2.547 20 5 FFBDHM O=C([O-])[C@H](CC(F)F)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000901811811 735843014 /nfs/dbraw/zinc/84/30/14/735843014.db2.gz IFERDFRHNSUFTF-LURJTMIESA-N -1 3 359.148 2.617 20 5 FFBDHM Cc1cc(N[C@@H]2CCCN3CCSC[C@@H]23)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910384888 737067306 /nfs/dbraw/zinc/06/73/06/737067306.db2.gz BEMZSXLPXUPXQF-KGLIPLIRSA-N -1 3 351.428 2.593 20 5 FFBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000916108738 737678542 /nfs/dbraw/zinc/67/85/42/737678542.db2.gz PZNOTMNQUFRIPF-UHFFFAOYSA-N -1 3 368.342 2.696 20 5 FFBDHM O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cc2sccc2c([O-])c1 ZINC000786133033 739027215 /nfs/dbraw/zinc/02/72/15/739027215.db2.gz ZRXVMBGWYCKMRW-UHFFFAOYSA-N -1 3 360.347 2.534 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2Cc3ccc(Cl)cc3C2)c(F)c1 ZINC000800157938 740493916 /nfs/dbraw/zinc/49/39/16/740493916.db2.gz UBASENQRJYWTLV-LBPRGKRZSA-N -1 3 370.789 2.833 20 5 FFBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831191442 745496817 /nfs/dbraw/zinc/49/68/17/745496817.db2.gz UROXIURKEOBMAO-UHFFFAOYSA-N -1 3 370.258 2.520 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@]1(C)CC1(Cl)Cl ZINC000832146916 745645331 /nfs/dbraw/zinc/64/53/31/745645331.db2.gz AORGURJLYHLDNK-LLVKDONJSA-N -1 3 353.227 2.765 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@]1(C)CC1(Cl)Cl ZINC000832146917 745645445 /nfs/dbraw/zinc/64/54/45/745645445.db2.gz AORGURJLYHLDNK-NSHDSACASA-N -1 3 353.227 2.765 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@@]2(F)Cl)c([N+](=O)[O-])c1 ZINC000845982540 748372511 /nfs/dbraw/zinc/37/25/11/748372511.db2.gz RBUCHKYHJSBTQU-STQMWFEESA-N -1 3 366.798 2.586 20 5 FFBDHM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853674562 750132449 /nfs/dbraw/zinc/13/24/49/750132449.db2.gz CSAPWDOZNBNMKL-MNOVXSKESA-N -1 3 352.391 2.801 20 5 FFBDHM Cc1ccnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826309498 947890110 /nfs/dbraw/zinc/89/01/10/947890110.db2.gz RAEFJEVGLYYMID-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM Cc1ccnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826309498 947890120 /nfs/dbraw/zinc/89/01/20/947890120.db2.gz RAEFJEVGLYYMID-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000826497703 948411639 /nfs/dbraw/zinc/41/16/39/948411639.db2.gz QQAKINOKLRZQNA-CQSZACIVSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000826497703 948411642 /nfs/dbraw/zinc/41/16/42/948411642.db2.gz QQAKINOKLRZQNA-CQSZACIVSA-N -1 3 370.344 2.572 20 5 FFBDHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)O2 ZINC001594906658 954682108 /nfs/dbraw/zinc/68/21/08/954682108.db2.gz YSQWXNUCXNYWIU-BWBHSNQOSA-N -1 3 354.790 2.750 20 5 FFBDHM COC(=O)c1cc(F)c(C)c(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000766009975 989080913 /nfs/dbraw/zinc/08/09/13/989080913.db2.gz WXJHRFJGMGGANK-UHFFFAOYSA-N -1 3 373.296 2.924 20 5 FFBDHM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC001593146927 993947459 /nfs/dbraw/zinc/94/74/59/993947459.db2.gz VDKVUVMJZFPEAU-SJCJKPOMSA-N -1 3 371.393 2.714 20 5 FFBDHM C[C@@](NCc1c[nH]c(=O)c2ccccc12)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593286675 994647539 /nfs/dbraw/zinc/64/75/39/994647539.db2.gz WNQYSZBAVCWRNP-IBGZPJMESA-N -1 3 367.361 2.938 20 5 FFBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1N1CCSCC1 ZINC000770344009 1000761914 /nfs/dbraw/zinc/76/19/14/1000761914.db2.gz AKUNGQGCXIYHPQ-UHFFFAOYSA-N -1 3 374.422 2.809 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1=CCOCC1 ZINC001196022711 1003639916 /nfs/dbraw/zinc/63/99/16/1003639916.db2.gz YTELDRFXWYYGFT-UHFFFAOYSA-N -1 3 374.846 2.899 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])s1 ZINC001187634427 1006181320 /nfs/dbraw/zinc/18/13/20/1006181320.db2.gz PHHTYYFHQFLTGE-QMMMGPOBSA-N -1 3 374.444 2.685 20 5 FFBDHM O=C1CCCN1CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc21 ZINC000853428209 1006390718 /nfs/dbraw/zinc/39/07/18/1006390718.db2.gz YCVYMFXAPALQLJ-ZDUSSCGKSA-N -1 3 368.393 2.943 20 5 FFBDHM CC[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000853459622 1006396337 /nfs/dbraw/zinc/39/63/37/1006396337.db2.gz STNLIFUPFYIGRZ-RYUDHWBXSA-N -1 3 366.418 2.825 20 5 FFBDHM O=c1[n-]ccc(N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)c1[N+](=O)[O-] ZINC000853682445 1006503186 /nfs/dbraw/zinc/50/31/86/1006503186.db2.gz DOPYTFNYPRHSME-MRXNPFEDSA-N -1 3 365.336 2.924 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c(F)cc1[N+](=O)[O-] ZINC001190504172 1007662831 /nfs/dbraw/zinc/66/28/31/1007662831.db2.gz KRWORQUFTUXJPH-LBPRGKRZSA-N -1 3 372.418 2.670 20 5 FFBDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000861359913 1009376159 /nfs/dbraw/zinc/37/61/59/1009376159.db2.gz AHKCGMXHVSPSRM-UHFFFAOYSA-N -1 3 362.342 2.538 20 5 FFBDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000861359913 1009376173 /nfs/dbraw/zinc/37/61/73/1009376173.db2.gz AHKCGMXHVSPSRM-UHFFFAOYSA-N -1 3 362.342 2.538 20 5 FFBDHM CO[N-]C(=O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001179699931 1009408503 /nfs/dbraw/zinc/40/85/03/1009408503.db2.gz KDULPLYXEGDTHD-UHFFFAOYSA-N -1 3 365.773 2.808 20 5 FFBDHM COc1cc(COC(=O)c2cc(F)cc3[n-]nnc32)c([N+](=O)[O-])cc1F ZINC000800257169 1020163388 /nfs/dbraw/zinc/16/33/88/1020163388.db2.gz CKGUJOPKIUATGI-UHFFFAOYSA-N -1 3 364.264 2.510 20 5 FFBDHM COc1cc(COC(=O)c2cc(F)cc3nn[n-]c32)c([N+](=O)[O-])cc1F ZINC000800257169 1020163393 /nfs/dbraw/zinc/16/33/93/1020163393.db2.gz CKGUJOPKIUATGI-UHFFFAOYSA-N -1 3 364.264 2.510 20 5 FFBDHM COc1cc(COC(=O)c2cc(F)cc3n[n-]nc32)c([N+](=O)[O-])cc1F ZINC000800257169 1020163397 /nfs/dbraw/zinc/16/33/97/1020163397.db2.gz CKGUJOPKIUATGI-UHFFFAOYSA-N -1 3 364.264 2.510 20 5 FFBDHM CCOC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000778029908 1020589171 /nfs/dbraw/zinc/58/91/71/1020589171.db2.gz ZAAYYBVYJRNSDJ-UHFFFAOYSA-N -1 3 368.292 2.773 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N-]c2nnc(CO)o2)o1 ZINC001116700273 1021365377 /nfs/dbraw/zinc/36/53/77/1021365377.db2.gz GSEYDIYYHMQGDB-UHFFFAOYSA-N -1 3 350.718 2.996 20 5 FFBDHM COc1ccccc1[C@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778421631 1021957577 /nfs/dbraw/zinc/95/75/77/1021957577.db2.gz IAXVYFSUIJAEFM-AWEZNQCLSA-N -1 3 366.320 2.545 20 5 FFBDHM CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1NCc1ncccc1[O-] ZINC001158771202 1027128716 /nfs/dbraw/zinc/12/87/16/1027128716.db2.gz WXIDGRZONVWODY-UHFFFAOYSA-N -1 3 352.734 2.533 20 5 FFBDHM Cc1ncc(Nc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c(=O)[n-]1 ZINC001162301903 1028497309 /nfs/dbraw/zinc/49/73/09/1028497309.db2.gz DSYZPBRSTNGHCF-GFCCVEGCSA-N -1 3 358.745 2.515 20 5 FFBDHM CCOc1cccc(N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC001164288633 1029233833 /nfs/dbraw/zinc/23/38/33/1029233833.db2.gz TYYNPDHRMMHBHV-UHFFFAOYSA-N -1 3 359.386 2.570 20 5 FFBDHM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001157232393 1029513795 /nfs/dbraw/zinc/51/37/95/1029513795.db2.gz DOESQPXHORZHFY-RXMQYKEDSA-N -1 3 363.683 2.876 20 5 FFBDHM C[C@@H]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225665431 1034360388 /nfs/dbraw/zinc/36/03/88/1034360388.db2.gz ZFUGCLORXPJPGD-GHMZBOCLSA-N -1 3 353.375 2.862 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(C(F)(F)F)nc(=S)[n-]1 ZINC001225853837 1034428172 /nfs/dbraw/zinc/42/81/72/1034428172.db2.gz RQPFDWLQGTYZBD-LURJTMIESA-N -1 3 363.321 2.665 20 5 FFBDHM O=c1nc2nc(Cl)ccc2c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001226550521 1034729559 /nfs/dbraw/zinc/72/95/59/1034729559.db2.gz RGQSZGAJOXWFDD-LLVKDONJSA-N -1 3 358.741 2.838 20 5 FFBDHM O=c1c2ccccc2nc2n1CC[C@@H]2Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746330 1035712997 /nfs/dbraw/zinc/71/29/97/1035712997.db2.gz RPJLKQZWLNUXAU-HNNXBMFYSA-N -1 3 363.333 2.705 20 5 FFBDHM O=c1c2ccccc2nc2n1CC[C@@H]2Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746330 1035713017 /nfs/dbraw/zinc/71/30/17/1035713017.db2.gz RPJLKQZWLNUXAU-HNNXBMFYSA-N -1 3 363.333 2.705 20 5 FFBDHM COC(=O)c1ccc([O-])c(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001227823634 1035759591 /nfs/dbraw/zinc/75/95/91/1035759591.db2.gz ZVZBEYJZJMSZDG-UHFFFAOYSA-N -1 3 373.365 2.530 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001228685698 1036255229 /nfs/dbraw/zinc/25/52/29/1036255229.db2.gz JMUFJRJQEFIMNG-BXKDBHETSA-N -1 3 353.375 2.638 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229101121 1036497838 /nfs/dbraw/zinc/49/78/38/1036497838.db2.gz ZGSLJOCXWSAZFB-ZETCQYMHSA-N -1 3 372.175 2.741 20 5 FFBDHM CN1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)c3cc([O-])ccc43)[C@H]1CC(=O)C2 ZINC001229798143 1036903712 /nfs/dbraw/zinc/90/37/12/1036903712.db2.gz SFHYZLGGJXSLGT-QXJJSNKBSA-N -1 3 365.385 2.835 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-] ZINC001231075557 1037459073 /nfs/dbraw/zinc/45/90/73/1037459073.db2.gz FORWGGLKGYHOCP-JQWIXIFHSA-N -1 3 364.789 2.643 20 5 FFBDHM CN(C)c1ccccc1-c1noc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2)n1 ZINC001247999720 1040093539 /nfs/dbraw/zinc/09/35/39/1040093539.db2.gz MPESOLPGFHGTCJ-UHFFFAOYSA-N -1 3 353.338 2.963 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001310595505 1043711225 /nfs/dbraw/zinc/71/12/25/1043711225.db2.gz WROJDZGVNZTGLT-LURJTMIESA-N -1 3 374.279 2.623 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001310798048 1043743312 /nfs/dbraw/zinc/74/33/12/1043743312.db2.gz VWGIAZUWZINQNZ-YFKPBYRVSA-N -1 3 362.243 2.754 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCC1 ZINC001309283701 1052592147 /nfs/dbraw/zinc/59/21/47/1052592147.db2.gz GIDCDIROPXOFFE-UHFFFAOYSA-N -1 3 374.434 2.918 20 5 FFBDHM O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001300195781 1056072596 /nfs/dbraw/zinc/07/25/96/1056072596.db2.gz RZWZCBHJFMYQHA-ZETCQYMHSA-N -1 3 371.180 2.960 20 5 FFBDHM CC(C)Oc1ncc(Cl)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001449429481 1058906371 /nfs/dbraw/zinc/90/63/71/1058906371.db2.gz NJZMUGGVSJRWOY-UHFFFAOYSA-N -1 3 352.734 2.783 20 5 FFBDHM O=C([N-]c1cccc2nonc21)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001459960529 1060858733 /nfs/dbraw/zinc/85/87/33/1060858733.db2.gz UNXNZHBLWTWXEB-UHFFFAOYSA-N -1 3 356.294 2.545 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC001460561349 1061017211 /nfs/dbraw/zinc/01/72/11/1061017211.db2.gz OVWNHDUXNNOJNO-UHFFFAOYSA-N -1 3 353.338 2.570 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c([N+](=O)[O-])s1 ZINC001475519141 1061123717 /nfs/dbraw/zinc/12/37/17/1061123717.db2.gz ZRWTZBAABZVTJQ-IACUBPJLSA-N -1 3 368.411 2.720 20 5 FFBDHM O=C(COC(=O)c1cccc(Cl)c1[O-])Nc1cccc([N+](=O)[O-])c1 ZINC001359897493 1061837788 /nfs/dbraw/zinc/83/77/88/1061837788.db2.gz BHUVFGIGKQTILD-UHFFFAOYSA-N -1 3 350.714 2.749 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCCO2)c(F)cc1[N+](=O)[O-] ZINC001464174086 1062463337 /nfs/dbraw/zinc/46/33/37/1062463337.db2.gz HADPZRDUBRPFOI-ZBFHGGJFSA-N -1 3 372.418 2.668 20 5 FFBDHM C[C@@H](Cc1cccc(F)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001575187193 1078114153 /nfs/dbraw/zinc/11/41/53/1078114153.db2.gz AJRFSAXPZYUWCZ-NSHDSACASA-N -1 3 356.361 2.981 20 5 FFBDHM C[C@@H](Cc1cccc(F)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001575187193 1078114155 /nfs/dbraw/zinc/11/41/55/1078114155.db2.gz AJRFSAXPZYUWCZ-NSHDSACASA-N -1 3 356.361 2.981 20 5 FFBDHM COc1cc(CN[C@@H]2CCN(C(C)=O)c3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC001474073975 1065451878 /nfs/dbraw/zinc/45/18/78/1065451878.db2.gz UXHLBZZONMKKAS-OAHLLOKOSA-N -1 3 371.393 2.897 20 5 FFBDHM CCOc1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001578396788 1078469241 /nfs/dbraw/zinc/46/92/41/1078469241.db2.gz MBJQGZSJDQRPAX-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CCOc1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001578396788 1078469243 /nfs/dbraw/zinc/46/92/43/1078469243.db2.gz MBJQGZSJDQRPAX-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC001578856358 1078535640 /nfs/dbraw/zinc/53/56/40/1078535640.db2.gz YZQAGKQYIZXCJO-LSDHHAIUSA-N -1 3 364.365 2.541 20 5 FFBDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC001578856358 1078535642 /nfs/dbraw/zinc/53/56/42/1078535642.db2.gz YZQAGKQYIZXCJO-LSDHHAIUSA-N -1 3 364.365 2.541 20 5 FFBDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001580933352 1078894312 /nfs/dbraw/zinc/89/43/12/1078894312.db2.gz LLFRGYJGWSLLCF-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001580933352 1078894321 /nfs/dbraw/zinc/89/43/21/1078894321.db2.gz LLFRGYJGWSLLCF-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1N1CCC[C@@H](C2CCCCC2)C1 ZINC001582803316 1079108060 /nfs/dbraw/zinc/10/80/60/1079108060.db2.gz BVCHNRAQCYHMTM-CYBMUJFWSA-N -1 3 357.418 2.967 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1N1CCC[C@@H](C2CCCCC2)C1 ZINC001582803316 1079108065 /nfs/dbraw/zinc/10/80/65/1079108065.db2.gz BVCHNRAQCYHMTM-CYBMUJFWSA-N -1 3 357.418 2.967 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(-c2nnn[n-]2)c1 ZINC001582803946 1079109563 /nfs/dbraw/zinc/10/95/63/1079109563.db2.gz DLIPVZBNMJVBBS-VNQPRFMTSA-N -1 3 352.329 2.664 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(-c2nn[n-]n2)c1 ZINC001582803946 1079109567 /nfs/dbraw/zinc/10/95/67/1079109567.db2.gz DLIPVZBNMJVBBS-VNQPRFMTSA-N -1 3 352.329 2.664 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001558310415 1075977204 /nfs/dbraw/zinc/97/72/04/1075977204.db2.gz UNQVDPZBLRDMLQ-UHFFFAOYSA-N -1 3 354.322 2.644 20 5 FFBDHM CC(C)(CCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1)[N+](=O)[O-] ZINC001558687792 1076057512 /nfs/dbraw/zinc/05/75/12/1076057512.db2.gz MMNNWWYBDDOBTB-UHFFFAOYSA-N -1 3 360.370 2.541 20 5 FFBDHM CC(C)(CCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1)[N+](=O)[O-] ZINC001558687792 1076057515 /nfs/dbraw/zinc/05/75/15/1076057515.db2.gz MMNNWWYBDDOBTB-UHFFFAOYSA-N -1 3 360.370 2.541 20 5 FFBDHM C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001559289194 1076146689 /nfs/dbraw/zinc/14/66/89/1076146689.db2.gz LTIMCPFMBVGOLJ-SSDOTTSWSA-N -1 3 352.276 2.875 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2ccccc2)c([N+](=O)[O-])s1 ZINC001561360006 1076367700 /nfs/dbraw/zinc/36/77/00/1076367700.db2.gz OWZHJLJQWJWOMV-GXFFZTMASA-N -1 3 370.452 2.755 20 5 FFBDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC001561847396 1076433244 /nfs/dbraw/zinc/43/32/44/1076433244.db2.gz XHXLHOPEMPOXBM-UHFFFAOYSA-N -1 3 372.349 2.669 20 5 FFBDHM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001587141872 1079744845 /nfs/dbraw/zinc/74/48/45/1079744845.db2.gz QOGBGIXVXOCFJX-UHFFFAOYSA-N -1 3 373.365 2.832 20 5 FFBDHM CC(=O)Nc1ccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588879331 1080229775 /nfs/dbraw/zinc/22/97/75/1080229775.db2.gz WCRVBUXIXYPMNR-UHFFFAOYSA-N -1 3 358.289 2.665 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001589980874 1080920309 /nfs/dbraw/zinc/92/03/09/1080920309.db2.gz GBUHJGKDEQGXDY-NSHDSACASA-N -1 3 368.401 2.945 20 5 FFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001589980874 1080920314 /nfs/dbraw/zinc/92/03/14/1080920314.db2.gz GBUHJGKDEQGXDY-NSHDSACASA-N -1 3 368.401 2.945 20 5 FFBDHM C[C@H](O)C[C@@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589999617 1080929139 /nfs/dbraw/zinc/92/91/39/1080929139.db2.gz YJHQYMONPLYLLC-JSGCOSHPSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@H](O)C[C@@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589999617 1080929143 /nfs/dbraw/zinc/92/91/43/1080929143.db2.gz YJHQYMONPLYLLC-JSGCOSHPSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001590045439 1080973269 /nfs/dbraw/zinc/97/32/69/1080973269.db2.gz ZGJXKGNBZOTVRO-SNVBAGLBSA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC001590045439 1080973272 /nfs/dbraw/zinc/97/32/72/1080973272.db2.gz ZGJXKGNBZOTVRO-SNVBAGLBSA-N -1 3 370.344 2.747 20 5 FFBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590106056 1081018150 /nfs/dbraw/zinc/01/81/50/1081018150.db2.gz MRULQJHIQLRSAK-UHFFFAOYSA-N -1 3 358.402 2.703 20 5 FFBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC001590106056 1081018157 /nfs/dbraw/zinc/01/81/57/1081018157.db2.gz MRULQJHIQLRSAK-UHFFFAOYSA-N -1 3 358.402 2.703 20 5 FFBDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163370721 251187167 /nfs/dbraw/zinc/18/71/67/251187167.db2.gz ARFHEGXKTISRIY-SSDOTTSWSA-N -1 3 358.363 2.643 20 5 FFBDHM CC(C)c1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000275939276 256060577 /nfs/dbraw/zinc/06/05/77/256060577.db2.gz ONBJDUSZWSGYHZ-UHFFFAOYSA-N -1 3 374.397 2.618 20 5 FFBDHM CCn1nc(CN[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c2ccccc21 ZINC000277319495 256184888 /nfs/dbraw/zinc/18/48/88/256184888.db2.gz NVUHGILYUDQVBX-INIZCTEOSA-N -1 3 368.393 2.750 20 5 FFBDHM Cc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000291002283 257372340 /nfs/dbraw/zinc/37/23/40/257372340.db2.gz AXTSXOWPYCYTLZ-ZDUSSCGKSA-N -1 3 359.348 2.794 20 5 FFBDHM O=C(NCCCNc1c(F)cc([N+](=O)[O-])cc1F)c1cccc([O-])c1 ZINC000301787606 258067388 /nfs/dbraw/zinc/06/73/88/258067388.db2.gz MJAGFLOCYLZSMO-UHFFFAOYSA-N -1 3 351.309 2.811 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000032434562 506253796 /nfs/dbraw/zinc/25/37/96/506253796.db2.gz OPJQNDCSTKQELZ-JTQLQIEISA-N -1 3 356.425 2.574 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000065795151 506368011 /nfs/dbraw/zinc/36/80/11/506368011.db2.gz NCEWBGMCWORRPR-UONOGXRCSA-N -1 3 350.371 2.877 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000065795453 506368937 /nfs/dbraw/zinc/36/89/37/506368937.db2.gz XPBMOJPGUYKBTH-UONOGXRCSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])c1 ZINC000410176539 512218756 /nfs/dbraw/zinc/21/87/56/512218756.db2.gz LLFYLIHDCJJZGC-ZYHUDNBSSA-N -1 3 364.370 2.732 20 5 FFBDHM C[C@@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000377347242 512226206 /nfs/dbraw/zinc/22/62/06/512226206.db2.gz QVJKBELFWPQPOR-CXAGYDPISA-N -1 3 355.394 2.693 20 5 FFBDHM O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)c1ccco1 ZINC000011526776 506778838 /nfs/dbraw/zinc/77/88/38/506778838.db2.gz LCBZPLYAZSTGEV-UHFFFAOYSA-N -1 3 368.305 2.793 20 5 FFBDHM COC(=O)c1sccc1[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000068248447 507159769 /nfs/dbraw/zinc/15/97/69/507159769.db2.gz UFABJYCQDPNKQG-UHFFFAOYSA-N -1 3 366.351 2.712 20 5 FFBDHM CCOC(=O)c1sc2[n-]c(Cc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C ZINC000020368726 507218444 /nfs/dbraw/zinc/21/84/44/507218444.db2.gz LDFHNXMKPRVIAZ-UHFFFAOYSA-N -1 3 373.390 2.969 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000068838817 507337770 /nfs/dbraw/zinc/33/77/70/507337770.db2.gz FHRXUPVKUOHSKN-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000068838776 507338211 /nfs/dbraw/zinc/33/82/11/507338211.db2.gz GFZXCJCBHUPPAE-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM O=C(C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCC1 ZINC000047510457 507346829 /nfs/dbraw/zinc/34/68/29/507346829.db2.gz HJTSMHCVYCQLBA-UHFFFAOYSA-N -1 3 362.264 2.556 20 5 FFBDHM Cc1sc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000031906266 507822223 /nfs/dbraw/zinc/82/22/23/507822223.db2.gz ZJIJVQCPXIWFIA-UHFFFAOYSA-N -1 3 373.387 2.728 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c(F)c1 ZINC000106893636 507826647 /nfs/dbraw/zinc/82/66/47/507826647.db2.gz RPFOOOXUDFFYKV-CQSZACIVSA-N -1 3 354.334 2.839 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000072715037 507845650 /nfs/dbraw/zinc/84/56/50/507845650.db2.gz RRPSYPVJPNHWBR-CYBMUJFWSA-N -1 3 364.851 2.978 20 5 FFBDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000075181017 508088375 /nfs/dbraw/zinc/08/83/75/508088375.db2.gz URXAJHDTMJKXAF-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000081187201 508146696 /nfs/dbraw/zinc/14/66/96/508146696.db2.gz NSFFYTLETZUNMM-KGLIPLIRSA-N -1 3 364.427 2.562 20 5 FFBDHM Cc1cnc(OCc2nc3c4ccccc4oc3c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000157926832 508633136 /nfs/dbraw/zinc/63/31/36/508633136.db2.gz VUTCKKKSIJOFNS-UHFFFAOYSA-N -1 3 352.306 2.860 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCc1c(C)cccc1C ZINC000123535607 508701654 /nfs/dbraw/zinc/70/16/54/508701654.db2.gz KYNYJIARUZVCLB-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CN1CCC(N(Cc2ccco2)C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000137059902 508735201 /nfs/dbraw/zinc/73/52/01/508735201.db2.gz QHIFKTLDVLEQTL-UHFFFAOYSA-N -1 3 359.382 2.630 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000158733158 508745705 /nfs/dbraw/zinc/74/57/05/508745705.db2.gz BWKQZMAGBNGYLM-JTQLQIEISA-N -1 3 353.400 2.590 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1c(C)noc1C ZINC000119270803 508762225 /nfs/dbraw/zinc/76/22/25/508762225.db2.gz ZRJZTQVFHKOCHE-ZDUSSCGKSA-N -1 3 353.400 2.938 20 5 FFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000124082776 508780417 /nfs/dbraw/zinc/78/04/17/508780417.db2.gz LFGVZWORXIXHAV-UHFFFAOYSA-N -1 3 361.470 2.943 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119556828 508817809 /nfs/dbraw/zinc/81/78/09/508817809.db2.gz AXTSAMFIYGAXLF-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM CCc1cnc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000124796303 508885684 /nfs/dbraw/zinc/88/56/84/508885684.db2.gz LWTBMCYSFCWWJA-UHFFFAOYSA-N -1 3 361.470 2.505 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000131446743 508933604 /nfs/dbraw/zinc/93/36/04/508933604.db2.gz PFRORORCHDUBIK-MRXNPFEDSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000125713561 509020315 /nfs/dbraw/zinc/02/03/15/509020315.db2.gz VLBLTTHJEOVNSJ-UHFFFAOYSA-N -1 3 362.473 2.979 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000132869782 509085699 /nfs/dbraw/zinc/08/56/99/509085699.db2.gz CWLMXIRBAZAGPI-JTQLQIEISA-N -1 3 362.835 2.650 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c1 ZINC000156121846 509130686 /nfs/dbraw/zinc/13/06/86/509130686.db2.gz LCFKGOPDHBKPGZ-UHFFFAOYSA-N -1 3 353.425 2.548 20 5 FFBDHM CSCc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000189044298 509384951 /nfs/dbraw/zinc/38/49/51/509384951.db2.gz RZKCSEKQNGTSIW-UHFFFAOYSA-N -1 3 358.466 2.998 20 5 FFBDHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000267600062 509560246 /nfs/dbraw/zinc/56/02/46/509560246.db2.gz DKPKMUJEEIHZCZ-SNVBAGLBSA-N -1 3 371.440 2.546 20 5 FFBDHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173595400 509666562 /nfs/dbraw/zinc/66/65/62/509666562.db2.gz WIAKOXCHAYNGAH-SNVBAGLBSA-N -1 3 354.359 2.782 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190066537 509919141 /nfs/dbraw/zinc/91/91/41/509919141.db2.gz ZPNJTGHOHZYMDF-UHFFFAOYSA-N -1 3 367.427 2.803 20 5 FFBDHM CN(C)c1ccc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2n1 ZINC000193468426 509926754 /nfs/dbraw/zinc/92/67/54/509926754.db2.gz FFFHNVMKMSWMHM-UHFFFAOYSA-N -1 3 353.338 2.562 20 5 FFBDHM O=C(Nc1nnc(C=Cc2ccco2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193780017 510064307 /nfs/dbraw/zinc/06/43/07/510064307.db2.gz UMOSZJPYSCFGAI-ONEGZZNKSA-N -1 3 359.323 2.563 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000269165332 510266786 /nfs/dbraw/zinc/26/67/86/510266786.db2.gz UURKFLIMYLFRBP-UHFFFAOYSA-N -1 3 366.395 2.596 20 5 FFBDHM Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000181225996 510311203 /nfs/dbraw/zinc/31/12/03/510311203.db2.gz HDIFIAFSZURYKO-UHFFFAOYSA-N -1 3 366.171 2.575 20 5 FFBDHM O=C([N-]c1n[nH]c(C2CCC2)n1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000184638796 510433696 /nfs/dbraw/zinc/43/36/96/510433696.db2.gz BJYMMGCHRBCEOK-UHFFFAOYSA-N -1 3 366.175 2.995 20 5 FFBDHM COc1ccc(OCCN2CCC[C@H](CCC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263163283 510591226 /nfs/dbraw/zinc/59/12/26/510591226.db2.gz QYFGRHOMXXZEDW-CYBMUJFWSA-N -1 3 352.387 2.559 20 5 FFBDHM COc1ccccc1-c1nc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000175361275 510608565 /nfs/dbraw/zinc/60/85/65/510608565.db2.gz HKTLTPGEVGEWAM-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FFBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1Br ZINC000175392596 510622857 /nfs/dbraw/zinc/62/28/57/510622857.db2.gz TZDLMXZFSNCQOP-UHFFFAOYSA-N -1 3 368.143 2.719 20 5 FFBDHM CS(=O)(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000191431402 510658591 /nfs/dbraw/zinc/65/85/91/510658591.db2.gz PRLMUNPVUVHWAG-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000175846986 510820785 /nfs/dbraw/zinc/82/07/85/510820785.db2.gz QPPHRWKXUWGBOP-UHFFFAOYSA-N -1 3 352.350 2.726 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000323898567 511831962 /nfs/dbraw/zinc/83/19/62/511831962.db2.gz JKJMIUIENUEZSV-HNNXBMFYSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OC1CCOCC1 ZINC000275084069 512035979 /nfs/dbraw/zinc/03/59/79/512035979.db2.gz FJTADJRMRFHKFQ-UHFFFAOYSA-N -1 3 373.365 2.814 20 5 FFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc3cc(C)ccn32)cc1SC ZINC000446648207 513304263 /nfs/dbraw/zinc/30/42/63/513304263.db2.gz KPYSYCGRXUGUOD-UHFFFAOYSA-N -1 3 373.394 2.929 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)c([N+](=O)[O-])c1 ZINC000440844025 513420851 /nfs/dbraw/zinc/42/08/51/513420851.db2.gz OAGJPXRHVLNCCP-OAHLLOKOSA-N -1 3 361.423 2.841 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000435590013 513627284 /nfs/dbraw/zinc/62/72/84/513627284.db2.gz UEXPICXPSSANAU-JOYOIKCWSA-N -1 3 372.324 2.847 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1CCSCC1 ZINC000416381405 513743656 /nfs/dbraw/zinc/74/36/56/513743656.db2.gz GYZXTLCSWMDHHH-UHFFFAOYSA-N -1 3 370.374 2.788 20 5 FFBDHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416489804 513799259 /nfs/dbraw/zinc/79/92/59/513799259.db2.gz SJDGFRQUVGDPBO-VXNVDRBHSA-N -1 3 370.374 2.643 20 5 FFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442923293 513814785 /nfs/dbraw/zinc/81/47/85/513814785.db2.gz MWZQHKSMXCDFPD-UHFFFAOYSA-N -1 3 374.275 2.733 20 5 FFBDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C1CC1 ZINC000416587066 513850209 /nfs/dbraw/zinc/85/02/09/513850209.db2.gz HOYLBTULGQEONG-BLLLJJGKSA-N -1 3 356.444 2.694 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC000443098898 513871353 /nfs/dbraw/zinc/87/13/53/513871353.db2.gz BSKREHXGJAAXTQ-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451642398 513881051 /nfs/dbraw/zinc/88/10/51/513881051.db2.gz QHXZOGFDTOQLQU-JTQLQIEISA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000436624738 513922739 /nfs/dbraw/zinc/92/27/39/513922739.db2.gz CDAJSXHMHIDDJE-ZDUSSCGKSA-N -1 3 371.393 2.606 20 5 FFBDHM COC(=O)c1ccc(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)[n-]1 ZINC000426460392 513947182 /nfs/dbraw/zinc/94/71/82/513947182.db2.gz NLXAQXKSBNWHMR-UHFFFAOYSA-N -1 3 367.321 2.832 20 5 FFBDHM Cc1c(-c2nc(-c3ccc([O-])cc3)no2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000436770316 513973796 /nfs/dbraw/zinc/97/37/96/513973796.db2.gz QNJBUOBUMVKXFW-UHFFFAOYSA-N -1 3 364.321 2.907 20 5 FFBDHM CO[C@](C)(C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000451827750 514008173 /nfs/dbraw/zinc/00/81/73/514008173.db2.gz QWJQAKUMHJTJJP-QGZVFWFLSA-N -1 3 364.423 2.743 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C(C)C)C2)cc1C ZINC000451831325 514010141 /nfs/dbraw/zinc/01/01/41/514010141.db2.gz ZJYGQARNAUPUBT-HOCLYGCPSA-N -1 3 370.471 2.941 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC000451831324 514010378 /nfs/dbraw/zinc/01/03/78/514010378.db2.gz ZJYGQARNAUPUBT-GOEBONIOSA-N -1 3 370.471 2.941 20 5 FFBDHM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000451954818 514092172 /nfs/dbraw/zinc/09/21/72/514092172.db2.gz AIUBQTCRZSLGSO-LSDHHAIUSA-N -1 3 362.407 2.746 20 5 FFBDHM CCCc1ncc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000451961311 514097060 /nfs/dbraw/zinc/09/70/60/514097060.db2.gz RZPGZGRYRFLTTI-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000427713448 514291889 /nfs/dbraw/zinc/29/18/89/514291889.db2.gz HKMFZDFPLXOJEX-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM COc1ccc(-c2ccc(CN[C@@H]3C=C[C@@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000417628400 514442646 /nfs/dbraw/zinc/44/26/46/514442646.db2.gz WFPCBPYWPQYQRM-VXGBXAGGSA-N -1 3 358.350 2.982 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)c1[N+](=O)[O-] ZINC000461795991 514745815 /nfs/dbraw/zinc/74/58/15/514745815.db2.gz MVFOMAZFGUVNHB-HNNXBMFYSA-N -1 3 370.471 2.679 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1[N+](=O)[O-] ZINC000475738519 514786567 /nfs/dbraw/zinc/78/65/67/514786567.db2.gz QVUFDPFEOUCGFU-UHFFFAOYSA-N -1 3 372.349 2.669 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCCC2 ZINC000467074837 514890139 /nfs/dbraw/zinc/89/01/39/514890139.db2.gz MXEGJHDADBHTJG-CHWSQXEVSA-N -1 3 374.484 2.981 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nnc(C(F)(F)F)[n-]2)cc1OC(F)F ZINC000480324247 514921070 /nfs/dbraw/zinc/92/10/70/514921070.db2.gz HGMINAIFEUCEAW-UHFFFAOYSA-N -1 3 353.207 2.945 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2n[n-]c(C(F)(F)F)n2)cc1OC(F)F ZINC000480324247 514921078 /nfs/dbraw/zinc/92/10/78/514921078.db2.gz HGMINAIFEUCEAW-UHFFFAOYSA-N -1 3 353.207 2.945 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2nc(C(F)(F)F)n[n-]2)cc1OC(F)F ZINC000480324247 514921089 /nfs/dbraw/zinc/92/10/89/514921089.db2.gz HGMINAIFEUCEAW-UHFFFAOYSA-N -1 3 353.207 2.945 20 5 FFBDHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000503221557 514965711 /nfs/dbraw/zinc/96/57/11/514965711.db2.gz KZFNSSXTUAAMEX-UHFFFAOYSA-N -1 3 366.443 2.768 20 5 FFBDHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467426545 515003497 /nfs/dbraw/zinc/00/34/97/515003497.db2.gz XIZVCPPAZJQDNS-JTQLQIEISA-N -1 3 370.452 2.883 20 5 FFBDHM CC(C)=CCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000480741256 515067249 /nfs/dbraw/zinc/06/72/49/515067249.db2.gz RVMUALGGGJWINB-UHFFFAOYSA-N -1 3 363.233 2.992 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(F)c1 ZINC000480823554 515094689 /nfs/dbraw/zinc/09/46/89/515094689.db2.gz MOHQOGLCBNJRRX-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000456351953 515118951 /nfs/dbraw/zinc/11/89/51/515118951.db2.gz XMBFXIYBBJDAMO-HNNXBMFYSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@H]2C)c1C ZINC000480926161 515137326 /nfs/dbraw/zinc/13/73/26/515137326.db2.gz KNHXXMMNIVDQFS-ZIAGYGMSSA-N -1 3 369.487 2.753 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1cccc(F)c1 ZINC000462700095 515197709 /nfs/dbraw/zinc/19/77/09/515197709.db2.gz GRASADDKEVUCCV-SNVBAGLBSA-N -1 3 372.349 2.619 20 5 FFBDHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000462719367 515211462 /nfs/dbraw/zinc/21/14/62/515211462.db2.gz GNDYJAMENIJHNG-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000462722495 515215604 /nfs/dbraw/zinc/21/56/04/515215604.db2.gz QQLKNJGBAXTUBT-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM Cc1ncn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)c1C ZINC000462773997 515235370 /nfs/dbraw/zinc/23/53/70/515235370.db2.gz IHZYYWJBNYUULX-UHFFFAOYSA-N -1 3 353.338 2.750 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000490624413 515264870 /nfs/dbraw/zinc/26/48/70/515264870.db2.gz AIXYGFIPZWGFDO-GHMZBOCLSA-N -1 3 360.407 2.847 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000490625470 515265674 /nfs/dbraw/zinc/26/56/74/515265674.db2.gz KRWLMFIEFMHAJU-MNOVXSKESA-N -1 3 360.407 2.847 20 5 FFBDHM Cc1sc(C(=O)[N-]c2cc(N3CCNC3=O)ccc2F)cc1[N+](=O)[O-] ZINC000468210228 515266215 /nfs/dbraw/zinc/26/62/15/515266215.db2.gz FLNZQYLBJYUAIL-UHFFFAOYSA-N -1 3 364.358 2.886 20 5 FFBDHM COc1cc(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])ccc1[O-] ZINC000509851907 515346111 /nfs/dbraw/zinc/34/61/11/515346111.db2.gz QLILSQKZMPGPTO-UHFFFAOYSA-N -1 3 359.382 2.849 20 5 FFBDHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477169837 515356098 /nfs/dbraw/zinc/35/60/98/515356098.db2.gz WTRCTIHPVNCQPI-GFCCVEGCSA-N -1 3 372.443 2.861 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000491549709 515451655 /nfs/dbraw/zinc/45/16/55/515451655.db2.gz WEIBUWUZZYNUTH-SDDRHHMPSA-N -1 3 372.418 2.990 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000491610259 515461428 /nfs/dbraw/zinc/46/14/28/515461428.db2.gz OXSNFMLFAHZNEC-GIPNMCIBSA-N -1 3 360.407 2.846 20 5 FFBDHM CC[C@@H](C)N[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000510363076 515516024 /nfs/dbraw/zinc/51/60/24/515516024.db2.gz KKPIBXDGDOIKIG-CHWSQXEVSA-N -1 3 367.427 2.596 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000493557383 515643256 /nfs/dbraw/zinc/64/32/56/515643256.db2.gz ZTZQBHHLXIOXBA-OUAUKWLOSA-N -1 3 360.407 2.846 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000493771720 515661346 /nfs/dbraw/zinc/66/13/46/515661346.db2.gz ZZSMNOWNYNWIQM-UHFFFAOYSA-N -1 3 368.333 2.599 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOc2ccccc2)c1[N+](=O)[O-] ZINC000478155991 515721021 /nfs/dbraw/zinc/72/10/21/515721021.db2.gz WHZSKSDUWWBHAC-UHFFFAOYSA-N -1 3 350.396 2.569 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c2ncccc12 ZINC000464190920 515735547 /nfs/dbraw/zinc/73/55/47/515735547.db2.gz WSQRACXLGNBXGU-SNVBAGLBSA-N -1 3 371.365 2.999 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1c(F)cncc1F ZINC000511025134 515749094 /nfs/dbraw/zinc/74/90/94/515749094.db2.gz DLDCJRWNOMWNJP-VIFPVBQESA-N -1 3 357.338 2.616 20 5 FFBDHM C[C@@H]1CCCC[C@@H]1OCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000500574309 515776207 /nfs/dbraw/zinc/77/62/07/515776207.db2.gz MXYCFVRYNFYRPI-WBMJQRKESA-N -1 3 358.398 2.941 20 5 FFBDHM CCNC(=O)c1ccc(C)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000482957869 515862546 /nfs/dbraw/zinc/86/25/46/515862546.db2.gz LMGFUISLSWAWAF-UHFFFAOYSA-N -1 3 367.365 2.782 20 5 FFBDHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506784229 515984599 /nfs/dbraw/zinc/98/45/99/515984599.db2.gz ZWRGRDQKIPBHOB-INIZCTEOSA-N -1 3 355.394 2.695 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000543683889 516363707 /nfs/dbraw/zinc/36/37/07/516363707.db2.gz IREJKDGXPNQJJA-LLVKDONJSA-N -1 3 370.349 2.859 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000535705777 516458557 /nfs/dbraw/zinc/45/85/57/516458557.db2.gz RMFUBVGRVQSNEZ-UHFFFAOYSA-N -1 3 374.378 2.700 20 5 FFBDHM CCOC(=O)c1cc(C(=O)NCc2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1 ZINC000523424221 516466253 /nfs/dbraw/zinc/46/62/53/516466253.db2.gz DJRFGILBGKLQKE-UHFFFAOYSA-N -1 3 362.313 2.546 20 5 FFBDHM CCCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC000540302621 516506160 /nfs/dbraw/zinc/50/61/60/516506160.db2.gz PYYWYBUSGQFMFG-UHFFFAOYSA-N -1 3 370.365 2.637 20 5 FFBDHM COc1ccc([O-])c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000531581620 516539780 /nfs/dbraw/zinc/53/97/80/516539780.db2.gz DNILHRJXDZHLCC-UHFFFAOYSA-N -1 3 355.306 2.815 20 5 FFBDHM CC1(C)CC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc2O1 ZINC000554632293 516555577 /nfs/dbraw/zinc/55/55/77/516555577.db2.gz UYCYDMAQWNSKPG-UHFFFAOYSA-N -1 3 357.322 2.692 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCCS1 ZINC000544099936 516581003 /nfs/dbraw/zinc/58/10/03/516581003.db2.gz LCBGSMPLSHZGAQ-SNVBAGLBSA-N -1 3 350.849 2.812 20 5 FFBDHM COc1cc(CNc2ccc3ccn(C)c(=O)c3c2)c([N+](=O)[O-])cc1[O-] ZINC000551232115 516617335 /nfs/dbraw/zinc/61/73/35/516617335.db2.gz YJSXCJYHENFFNX-UHFFFAOYSA-N -1 3 355.350 2.773 20 5 FFBDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000540560028 516620055 /nfs/dbraw/zinc/62/00/55/516620055.db2.gz BOXHQUIACMVHLT-UHFFFAOYSA-N -1 3 371.437 2.937 20 5 FFBDHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000540726171 516686374 /nfs/dbraw/zinc/68/63/74/516686374.db2.gz MUPLFALIFDGPMT-DGCLKSJQSA-N -1 3 360.407 2.606 20 5 FFBDHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000540726164 516687293 /nfs/dbraw/zinc/68/72/93/516687293.db2.gz MUPLFALIFDGPMT-AAEUAGOBSA-N -1 3 360.407 2.606 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000558620528 516843276 /nfs/dbraw/zinc/84/32/76/516843276.db2.gz TZSYNCDZFLSKHS-UHFFFAOYSA-N -1 3 366.761 2.638 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000558620528 516843286 /nfs/dbraw/zinc/84/32/86/516843286.db2.gz TZSYNCDZFLSKHS-UHFFFAOYSA-N -1 3 366.761 2.638 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@@H]1C ZINC000514144898 516879156 /nfs/dbraw/zinc/87/91/56/516879156.db2.gz RNVHOOZIQPRXNK-WFASDCNBSA-N -1 3 356.444 2.777 20 5 FFBDHM CC(=O)Nc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2c1 ZINC000514339188 516927452 /nfs/dbraw/zinc/92/74/52/516927452.db2.gz HWEPABBCRKAICV-UHFFFAOYSA-N -1 3 373.350 2.516 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccnc(Sc3ccccn3)c2)n1 ZINC000536809504 516941570 /nfs/dbraw/zinc/94/15/70/516941570.db2.gz FLSUAKMKTZJPSH-UHFFFAOYSA-N -1 3 356.367 2.522 20 5 FFBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1C ZINC000525459429 517045986 /nfs/dbraw/zinc/04/59/86/517045986.db2.gz FLUFGAVOZUWIQF-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CSc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000537396811 517168280 /nfs/dbraw/zinc/16/82/80/517168280.db2.gz LUMWNACZMGZVDH-UHFFFAOYSA-N -1 3 353.425 2.696 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000549256309 517479866 /nfs/dbraw/zinc/47/98/66/517479866.db2.gz ONZLEPACGGRMGG-STQMWFEESA-N -1 3 356.444 2.775 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000527291676 517621256 /nfs/dbraw/zinc/62/12/56/517621256.db2.gz MVASDXIRKIXUEY-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521766177 517849155 /nfs/dbraw/zinc/84/91/55/517849155.db2.gz LMMXQFOEWLHGJR-UHFFFAOYSA-N -1 3 351.222 2.824 20 5 FFBDHM O=C([O-])c1ccnc(NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000578630815 518302571 /nfs/dbraw/zinc/30/25/71/518302571.db2.gz CKTZMNDALCTYIW-HNNXBMFYSA-N -1 3 356.382 2.937 20 5 FFBDHM O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)n2)c1 ZINC000564863318 518660688 /nfs/dbraw/zinc/66/06/88/518660688.db2.gz ZGCUZLBDRLSMKC-UHFFFAOYSA-N -1 3 374.320 2.769 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000579570362 518745156 /nfs/dbraw/zinc/74/51/56/518745156.db2.gz VZMJEZOHJANCAV-JTQLQIEISA-N -1 3 370.349 2.563 20 5 FFBDHM CCc1ccc([C@@H](CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000565037584 518754423 /nfs/dbraw/zinc/75/44/23/518754423.db2.gz BSWMPVMHSAZOTR-MRXNPFEDSA-N -1 3 372.425 2.696 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000577118284 518921777 /nfs/dbraw/zinc/92/17/77/518921777.db2.gz WQEXXEFCUSCIIO-IBGZPJMESA-N -1 3 356.378 2.832 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)cc1C ZINC000583226022 519139568 /nfs/dbraw/zinc/13/95/68/519139568.db2.gz LHPRKMCNCNISIH-ZDUSSCGKSA-N -1 3 362.407 2.666 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccs3)nn2C)c1 ZINC000565978643 519226355 /nfs/dbraw/zinc/22/63/55/519226355.db2.gz UMWAKCVBLUIJSL-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM C[C@H]1CN(C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c2ccccc2NC1=O ZINC000583506630 519285661 /nfs/dbraw/zinc/28/56/61/519285661.db2.gz RPFFVBTXCIZDNB-JTQLQIEISA-N -1 3 365.349 2.706 20 5 FFBDHM CC(C)C1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000583644236 519357044 /nfs/dbraw/zinc/35/70/44/519357044.db2.gz VRSHGBWPRSEINK-UHFFFAOYSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1c(C)cccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594476351 519987913 /nfs/dbraw/zinc/98/79/13/519987913.db2.gz NHNVCWZJHYOCEC-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594801590 520163986 /nfs/dbraw/zinc/16/39/86/520163986.db2.gz PMXJHYLGCKFYEL-AWEZNQCLSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1ccc(CC(=O)N=c2cc(-c3ccccc3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000609044841 520182500 /nfs/dbraw/zinc/18/25/00/520182500.db2.gz PWPRIUAQIFIDNR-UHFFFAOYSA-N -1 3 352.350 2.597 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc(C)cc(C)c1 ZINC000594838679 520183225 /nfs/dbraw/zinc/18/32/25/520183225.db2.gz DQQAUPIBCAMSHM-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COc1cc(CNC[C@@H]2C[C@H](c3ccccc3)CO2)c([N+](=O)[O-])cc1[O-] ZINC000594974625 520236577 /nfs/dbraw/zinc/23/65/77/520236577.db2.gz CCLIKAXGQIVJMW-HOTGVXAUSA-N -1 3 358.394 2.971 20 5 FFBDHM O=C([O-])[C@]12CN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@H]1CCCC2 ZINC000595279432 520382862 /nfs/dbraw/zinc/38/28/62/520382862.db2.gz MLDFMOCQNCRQII-FZKQIMNGSA-N -1 3 372.381 2.722 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(-n3ccnc3)c2)c([N+](=O)[O-])c1 ZINC000609676422 520404099 /nfs/dbraw/zinc/40/40/99/520404099.db2.gz YITRAWDHACBLHL-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595355536 520424655 /nfs/dbraw/zinc/42/46/55/520424655.db2.gz VZJFGSAXZYCBHF-DLBZAZTESA-N -1 3 364.423 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c(F)c1 ZINC000604021299 520428611 /nfs/dbraw/zinc/42/86/11/520428611.db2.gz XECPHMUYCWGNTM-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598610416 520742438 /nfs/dbraw/zinc/74/24/38/520742438.db2.gz BFMBNNFAOYMYNX-LBPRGKRZSA-N -1 3 352.334 2.831 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000610711883 520808918 /nfs/dbraw/zinc/80/89/18/520808918.db2.gz XSEIXYDYVZXKOM-LBPRGKRZSA-N -1 3 368.798 2.969 20 5 FFBDHM CCCCS(=O)(=O)Nc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596135204 520933220 /nfs/dbraw/zinc/93/32/20/520933220.db2.gz FGEIGZJGTAXUNK-UHFFFAOYSA-N -1 3 366.399 2.981 20 5 FFBDHM O=c1[n-]ccc(N2CCN(Cc3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000596172010 520950215 /nfs/dbraw/zinc/95/02/15/520950215.db2.gz SDEGYKDHVQOHGR-UHFFFAOYSA-N -1 3 371.422 2.627 20 5 FFBDHM O=c1[n-]ccc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1[N+](=O)[O-] ZINC000596189347 520960978 /nfs/dbraw/zinc/96/09/78/520960978.db2.gz HNMUMVUSFHKGDS-SECBINFHSA-N -1 3 357.292 2.752 20 5 FFBDHM Cc1cccc(CN2CC[C@@H](NC(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000601852168 520987804 /nfs/dbraw/zinc/98/78/04/520987804.db2.gz XUPUTHNMLDPKOV-OAHLLOKOSA-N -1 3 355.394 2.613 20 5 FFBDHM O=c1[n-]ccc(N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000596444040 521072307 /nfs/dbraw/zinc/07/23/07/521072307.db2.gz OJAFGIGKEBRUGM-SECBINFHSA-N -1 3 355.276 2.846 20 5 FFBDHM CC(C)(c1ccccc1)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593604393 521103546 /nfs/dbraw/zinc/10/35/46/521103546.db2.gz JOEIWHGNIHFCPI-UHFFFAOYSA-N -1 3 361.423 2.779 20 5 FFBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])OCC ZINC000599367326 521178995 /nfs/dbraw/zinc/17/89/95/521178995.db2.gz GAVQRZCHQXHNDG-GFCCVEGCSA-N -1 3 367.427 2.627 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CNc3ccccc3C2)c1C ZINC000593729559 521179457 /nfs/dbraw/zinc/17/94/57/521179457.db2.gz DRSPFRPMRQSXBG-AWEZNQCLSA-N -1 3 361.423 2.527 20 5 FFBDHM COc1cc(CN2CCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000593745877 521189786 /nfs/dbraw/zinc/18/97/86/521189786.db2.gz BOELMSSXAUCWAE-OAHLLOKOSA-N -1 3 360.313 2.644 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1nccs1 ZINC000619486118 521592911 /nfs/dbraw/zinc/59/29/11/521592911.db2.gz POFLPQLANBEJNY-CQSZACIVSA-N -1 3 371.440 2.664 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489104 521594645 /nfs/dbraw/zinc/59/46/45/521594645.db2.gz DZQMWXKXUSVUCE-CMPLNLGQSA-N -1 3 360.457 2.556 20 5 FFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619489105 521595183 /nfs/dbraw/zinc/59/51/83/521595183.db2.gz DZQMWXKXUSVUCE-JQWIXIFHSA-N -1 3 360.457 2.556 20 5 FFBDHM Cc1ccc(O[C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000822259465 599068889 /nfs/dbraw/zinc/06/88/89/599068889.db2.gz XPEUUABSLYFIOH-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1ccc(O[C@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000822259465 599068892 /nfs/dbraw/zinc/06/88/92/599068892.db2.gz XPEUUABSLYFIOH-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM COc1ccc(O[C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821837277 599075048 /nfs/dbraw/zinc/07/50/48/599075048.db2.gz BYRFXINYCBRCFI-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccc(O[C@@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000821837277 599075051 /nfs/dbraw/zinc/07/50/51/599075051.db2.gz BYRFXINYCBRCFI-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccccc1O[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821903846 599077276 /nfs/dbraw/zinc/07/72/76/599077276.db2.gz MQCLSQJKGKNABV-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccccc1O[C@@H](C)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821903846 599077279 /nfs/dbraw/zinc/07/72/79/599077279.db2.gz MQCLSQJKGKNABV-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Sc1ccccc1 ZINC000820280364 599080653 /nfs/dbraw/zinc/08/06/53/599080653.db2.gz DUJRWXAPMFCCAU-SNVBAGLBSA-N -1 3 357.399 2.763 20 5 FFBDHM C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Sc1ccccc1 ZINC000820280364 599080655 /nfs/dbraw/zinc/08/06/55/599080655.db2.gz DUJRWXAPMFCCAU-SNVBAGLBSA-N -1 3 357.399 2.763 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3cccnc3)cc2)c(-c2nnn[n-]2)c1 ZINC000823650772 599112204 /nfs/dbraw/zinc/11/22/04/599112204.db2.gz AEYGUIRLVVYEDZ-UHFFFAOYSA-N -1 3 374.364 2.844 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccc(-c3cccnc3)cc2)c(-c2nn[n-]n2)c1 ZINC000823650772 599112205 /nfs/dbraw/zinc/11/22/05/599112205.db2.gz AEYGUIRLVVYEDZ-UHFFFAOYSA-N -1 3 374.364 2.844 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114295 598332235 /nfs/dbraw/zinc/33/22/35/598332235.db2.gz AJJJZNFIWOACOZ-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114295 598332237 /nfs/dbraw/zinc/33/22/37/598332237.db2.gz AJJJZNFIWOACOZ-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000735660461 598487678 /nfs/dbraw/zinc/48/76/78/598487678.db2.gz AZFHZPAIZUCWSD-UHFFFAOYSA-N -1 3 361.387 2.645 20 5 FFBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000735660461 598487680 /nfs/dbraw/zinc/48/76/80/598487680.db2.gz AZFHZPAIZUCWSD-UHFFFAOYSA-N -1 3 361.387 2.645 20 5 FFBDHM CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736635900 598588809 /nfs/dbraw/zinc/58/88/09/598588809.db2.gz DYUHHWWXJZWFGQ-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736635900 598588811 /nfs/dbraw/zinc/58/88/11/598588811.db2.gz DYUHHWWXJZWFGQ-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737412400 598704797 /nfs/dbraw/zinc/70/47/97/598704797.db2.gz XXDARNXYXDASHZ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737412400 598704798 /nfs/dbraw/zinc/70/47/98/598704798.db2.gz XXDARNXYXDASHZ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM COc1ccccc1OCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737153218 598796028 /nfs/dbraw/zinc/79/60/28/598796028.db2.gz XZLZPRIGTDKVDZ-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM COc1ccccc1OCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737153218 598796029 /nfs/dbraw/zinc/79/60/29/598796029.db2.gz XZLZPRIGTDKVDZ-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM CC(C)[C@@H]1CCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820038489 599494480 /nfs/dbraw/zinc/49/44/80/599494480.db2.gz OLBCETPRUZYHGC-HNNXBMFYSA-N -1 3 353.386 2.948 20 5 FFBDHM CC(C)[C@@H]1CCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820038489 599494482 /nfs/dbraw/zinc/49/44/82/599494482.db2.gz OLBCETPRUZYHGC-HNNXBMFYSA-N -1 3 353.386 2.948 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822271412 599520372 /nfs/dbraw/zinc/52/03/72/599520372.db2.gz ZLGVCIMVRMSZJJ-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822271412 599520375 /nfs/dbraw/zinc/52/03/75/599520375.db2.gz ZLGVCIMVRMSZJJ-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM COc1cccc(OCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737142106 599528243 /nfs/dbraw/zinc/52/82/43/599528243.db2.gz RVIIXVVLMLZKPW-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM COc1cccc(OCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737142106 599528245 /nfs/dbraw/zinc/52/82/45/599528245.db2.gz RVIIXVVLMLZKPW-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM O=C(C=Cc1ccco1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403443 607525495 /nfs/dbraw/zinc/52/54/95/607525495.db2.gz SDXVKUNULAGJTM-ARJAWSKDSA-N -1 3 360.717 2.673 20 5 FFBDHM O=C(C=Cc1ccco1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403443 607525497 /nfs/dbraw/zinc/52/54/97/607525497.db2.gz SDXVKUNULAGJTM-ARJAWSKDSA-N -1 3 360.717 2.673 20 5 FFBDHM CCc1ccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000825718038 607547364 /nfs/dbraw/zinc/54/73/64/607547364.db2.gz UKXAYQBWDKJBCU-UHFFFAOYSA-N -1 3 355.354 2.925 20 5 FFBDHM CCc1ccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000825718038 607547365 /nfs/dbraw/zinc/54/73/65/607547365.db2.gz UKXAYQBWDKJBCU-UHFFFAOYSA-N -1 3 355.354 2.925 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826246654 607666878 /nfs/dbraw/zinc/66/68/78/607666878.db2.gz IOGCELFXOVJCHS-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000826246654 607666880 /nfs/dbraw/zinc/66/68/80/607666880.db2.gz IOGCELFXOVJCHS-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM C[C@@]1(NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCC[C@H]1C(=O)[O-] ZINC000833570896 604813500 /nfs/dbraw/zinc/81/35/00/604813500.db2.gz VGDIGTLPVHQHDB-SUMWQHHRSA-N -1 3 360.370 2.768 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409795 604949941 /nfs/dbraw/zinc/94/99/41/604949941.db2.gz RXRTTXYNMOXVMV-STQMWFEESA-N -1 3 363.414 2.745 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3C[C@@H]4CCCC[C@@H]4C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645590 606106142 /nfs/dbraw/zinc/10/61/42/606106142.db2.gz UMJNHAIOWGEZNY-TXEJJXNPSA-N -1 3 365.397 2.950 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N3C[C@@H]4CCCC[C@@H]4C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645590 606106143 /nfs/dbraw/zinc/10/61/43/606106143.db2.gz UMJNHAIOWGEZNY-TXEJJXNPSA-N -1 3 365.397 2.950 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822928567 606267474 /nfs/dbraw/zinc/26/74/74/606267474.db2.gz KIWJHXJMKCJGLM-FPYGCLRLSA-N -1 3 354.301 2.566 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822928567 606267476 /nfs/dbraw/zinc/26/74/76/606267476.db2.gz KIWJHXJMKCJGLM-FPYGCLRLSA-N -1 3 354.301 2.566 20 5 FFBDHM CCc1ccc([C@H]2COCCN2c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821481011 606475845 /nfs/dbraw/zinc/47/58/45/606475845.db2.gz HHGBVGBVVNHHGP-OAHLLOKOSA-N -1 3 370.369 2.508 20 5 FFBDHM CCc1ccc([C@H]2COCCN2c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821481011 606475846 /nfs/dbraw/zinc/47/58/46/606475846.db2.gz HHGBVGBVVNHHGP-OAHLLOKOSA-N -1 3 370.369 2.508 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2c(F)ccc(F)c2C1 ZINC000823629608 606593305 /nfs/dbraw/zinc/59/33/05/606593305.db2.gz BMXRCDLNEJEHCA-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2c(F)ccc(F)c2C1 ZINC000823629608 606593306 /nfs/dbraw/zinc/59/33/06/606593306.db2.gz BMXRCDLNEJEHCA-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](c3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639989 606728681 /nfs/dbraw/zinc/72/86/81/606728681.db2.gz OJGKFXCULBSXLP-GFCCVEGCSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](c3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639989 606728683 /nfs/dbraw/zinc/72/86/83/606728683.db2.gz OJGKFXCULBSXLP-GFCCVEGCSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1COc2c1cccc2Cl ZINC000823629695 606878113 /nfs/dbraw/zinc/87/81/13/606878113.db2.gz FDWOQZFUKVGLIE-LBPRGKRZSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1COc2c1cccc2Cl ZINC000823629695 606878114 /nfs/dbraw/zinc/87/81/14/606878114.db2.gz FDWOQZFUKVGLIE-LBPRGKRZSA-N -1 3 358.745 2.974 20 5 FFBDHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822227620 606990469 /nfs/dbraw/zinc/99/04/69/606990469.db2.gz PGRRUKXIOUKYRY-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822227620 606990470 /nfs/dbraw/zinc/99/04/70/606990470.db2.gz PGRRUKXIOUKYRY-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823648618 607159775 /nfs/dbraw/zinc/15/97/75/607159775.db2.gz YWPBISYDAJILEW-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823648618 607159777 /nfs/dbraw/zinc/15/97/77/607159777.db2.gz YWPBISYDAJILEW-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM COc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c(F)cc1[N+](=O)[O-] ZINC000826180635 608077173 /nfs/dbraw/zinc/07/71/73/608077173.db2.gz QJMUCFOIKBVPKG-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM COc1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c(F)cc1[N+](=O)[O-] ZINC000826180635 608077174 /nfs/dbraw/zinc/07/71/74/608077174.db2.gz QJMUCFOIKBVPKG-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830812 608158594 /nfs/dbraw/zinc/15/85/94/608158594.db2.gz YGDZQKLWLDLFHA-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830812 608158595 /nfs/dbraw/zinc/15/85/95/608158595.db2.gz YGDZQKLWLDLFHA-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](CO)c1ccc(Cl)cc1 ZINC000826497378 608240482 /nfs/dbraw/zinc/24/04/82/608240482.db2.gz FNZUWCZKOZOGRO-CYBMUJFWSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](CO)c1ccc(Cl)cc1 ZINC000826497378 608240484 /nfs/dbraw/zinc/24/04/84/608240484.db2.gz FNZUWCZKOZOGRO-CYBMUJFWSA-N -1 3 360.761 2.574 20 5 FFBDHM C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633979 608464332 /nfs/dbraw/zinc/46/43/32/608464332.db2.gz SJBWJVLIVDZSKP-SNVBAGLBSA-N -1 3 365.353 2.767 20 5 FFBDHM O=[N+]([O-])c1ccsc1NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826500867 608583254 /nfs/dbraw/zinc/58/32/54/608583254.db2.gz PEAGKZXBLLPBLA-UHFFFAOYSA-N -1 3 371.426 2.917 20 5 FFBDHM O=[N+]([O-])c1ccsc1NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826500867 608583257 /nfs/dbraw/zinc/58/32/57/608583257.db2.gz PEAGKZXBLLPBLA-UHFFFAOYSA-N -1 3 371.426 2.917 20 5 FFBDHM CC1CCC2(CC1)OC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)O2 ZINC000824917057 609172600 /nfs/dbraw/zinc/17/26/00/609172600.db2.gz LOBUZFGFQAFSMS-XKZABGERSA-N -1 3 374.401 2.509 20 5 FFBDHM CC1CCC2(CC1)OC[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)O2 ZINC000824917057 609172601 /nfs/dbraw/zinc/17/26/01/609172601.db2.gz LOBUZFGFQAFSMS-XKZABGERSA-N -1 3 374.401 2.509 20 5 FFBDHM CC1CCC2(CC1)OC[C@H](CNc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])O2 ZINC000824919160 609172728 /nfs/dbraw/zinc/17/27/28/609172728.db2.gz SEIDVLHLDVBUNW-XKZABGERSA-N -1 3 374.401 2.509 20 5 FFBDHM CC1CCC2(CC1)OC[C@H](CNc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])O2 ZINC000824919160 609172729 /nfs/dbraw/zinc/17/27/29/609172729.db2.gz SEIDVLHLDVBUNW-XKZABGERSA-N -1 3 374.401 2.509 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826498351 609354645 /nfs/dbraw/zinc/35/46/45/609354645.db2.gz QVOKIWQCLMTDFE-UHFFFAOYSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826498351 609354648 /nfs/dbraw/zinc/35/46/48/609354648.db2.gz QVOKIWQCLMTDFE-UHFFFAOYSA-N -1 3 365.397 2.856 20 5 FFBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1sccc1S(=O)(=O)C(F)F ZINC000108153059 728519919 /nfs/dbraw/zinc/51/99/19/728519919.db2.gz SJOOAONGKYIAGL-UHFFFAOYSA-N -1 3 362.335 2.905 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000121394546 728626153 /nfs/dbraw/zinc/62/61/53/728626153.db2.gz HVSBQBYUUDQYGK-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1 ZINC000173176583 729041451 /nfs/dbraw/zinc/04/14/51/729041451.db2.gz XHFRFBUJEWYSEZ-SECBINFHSA-N -1 3 361.217 2.744 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CC=CC2)c1 ZINC000859276439 730448183 /nfs/dbraw/zinc/44/81/83/730448183.db2.gz YYKAYLSBKBKSAC-UHFFFAOYSA-N -1 3 361.217 2.602 20 5 FFBDHM CC(C)n1cc2c(n1)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000780413608 738541694 /nfs/dbraw/zinc/54/16/94/738541694.db2.gz SPBPVIZSKHVQMN-ZDUSSCGKSA-N -1 3 364.427 2.728 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000882757486 733287880 /nfs/dbraw/zinc/28/78/80/733287880.db2.gz HYNLXQODWSWOJQ-GWCFXTLKSA-N -1 3 362.835 2.732 20 5 FFBDHM COc1c([O-])ccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1[N+](=O)[O-] ZINC000895219061 734975462 /nfs/dbraw/zinc/97/54/62/734975462.db2.gz QGIQUHAXLBHCBT-JQWIXIFHSA-N -1 3 364.320 2.899 20 5 FFBDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000763086180 736900697 /nfs/dbraw/zinc/90/06/97/736900697.db2.gz MVQFKNPVZNHSEA-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM Cc1ncc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000771971266 737771696 /nfs/dbraw/zinc/77/16/96/737771696.db2.gz QWQQNXPHTVSLDG-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1[N+](=O)[O-] ZINC000777590701 738303581 /nfs/dbraw/zinc/30/35/81/738303581.db2.gz JCTIMVFQWLVRTC-UHFFFAOYSA-N -1 3 369.330 2.713 20 5 FFBDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1Cl ZINC000788482135 739249051 /nfs/dbraw/zinc/24/90/51/739249051.db2.gz VXVXTGJPYKTQIX-UHFFFAOYSA-N -1 3 371.802 2.948 20 5 FFBDHM CS(=O)(=O)c1csc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000813246777 741694967 /nfs/dbraw/zinc/69/49/67/741694967.db2.gz PVCYCQLWTYBYNU-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM O=[N+]([O-])c1ccc([C@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826498150 743388306 /nfs/dbraw/zinc/38/83/06/743388306.db2.gz IXLVXKMSRLFBFB-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc([C@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826498150 743388309 /nfs/dbraw/zinc/38/83/09/743388309.db2.gz IXLVXKMSRLFBFB-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000055572187 845331794 /nfs/dbraw/zinc/33/17/94/845331794.db2.gz JOLOPQQNLUJFOU-UHFFFAOYSA-N -1 3 351.384 2.603 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823241690 946355119 /nfs/dbraw/zinc/35/51/19/946355119.db2.gz CCAPBDXSRKJWFJ-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823241690 946355130 /nfs/dbraw/zinc/35/51/30/946355130.db2.gz CCAPBDXSRKJWFJ-UHFFFAOYSA-N -1 3 373.760 2.750 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823646846 946460654 /nfs/dbraw/zinc/46/06/54/946460654.db2.gz BGALSUXBJLOIPZ-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823646846 946460657 /nfs/dbraw/zinc/46/06/57/946460657.db2.gz BGALSUXBJLOIPZ-UHFFFAOYSA-N -1 3 361.365 2.978 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001176852214 1013795719 /nfs/dbraw/zinc/79/57/19/1013795719.db2.gz FXQXCWVRFDTPKC-UHFFFAOYSA-N -1 3 372.406 2.846 20 5 FFBDHM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001591711032 975590762 /nfs/dbraw/zinc/59/07/62/975590762.db2.gz IBYPGDIDHDANMX-CYBMUJFWSA-N -1 3 364.320 2.924 20 5 FFBDHM CCCN(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)[C@H]1CCN(C)C1 ZINC001595822847 982695059 /nfs/dbraw/zinc/69/50/59/982695059.db2.gz OXZCZUHMRQFEST-ZDUSSCGKSA-N -1 3 364.402 2.549 20 5 FFBDHM CCOC(=O)N(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000919770448 990726819 /nfs/dbraw/zinc/72/68/19/990726819.db2.gz QMQHNLJXXNYYDP-UHFFFAOYSA-N -1 3 360.326 2.540 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786030125 1001520503 /nfs/dbraw/zinc/52/05/03/1001520503.db2.gz CNWTZBHHQKOSMW-VIFPVBQESA-N -1 3 373.321 2.862 20 5 FFBDHM COc1cccc(CC[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC001185438853 1002943988 /nfs/dbraw/zinc/94/39/88/1002943988.db2.gz AGAIPRSJLVXKHM-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM COC(=O)c1ncc(Br)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802510 1005031767 /nfs/dbraw/zinc/03/17/67/1005031767.db2.gz SXYQSNXHKAXDHR-UHFFFAOYSA-N -1 3 368.143 2.988 20 5 FFBDHM O=C(c1ccc([O-])cc1)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776586250 1005955696 /nfs/dbraw/zinc/95/56/96/1005955696.db2.gz LUCMRUKODVTDCX-IBGZPJMESA-N -1 3 370.405 2.929 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])s1 ZINC001187538351 1006132407 /nfs/dbraw/zinc/13/24/07/1006132407.db2.gz SEAIPFQNNGEKSM-WCQYABFASA-N -1 3 362.473 2.694 20 5 FFBDHM COc1ccc([C@@H](O)C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853639221 1006489722 /nfs/dbraw/zinc/48/97/22/1006489722.db2.gz GZQYPNPJVWGAQE-QGZVFWFLSA-N -1 3 359.382 2.654 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC2(C[C@H]2Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853642850 1006491180 /nfs/dbraw/zinc/49/11/80/1006491180.db2.gz SZKNXVAJGNPGDJ-GFCCVEGCSA-N -1 3 364.402 2.897 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001177749921 1008732587 /nfs/dbraw/zinc/73/25/87/1008732587.db2.gz NGKIYVUYQWNPDE-NSHDSACASA-N -1 3 355.350 2.916 20 5 FFBDHM CN(C)CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779657403 1024372297 /nfs/dbraw/zinc/37/22/97/1024372297.db2.gz HZWZBZJNIVPIQS-UHFFFAOYSA-N -1 3 357.410 2.547 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1coc(C2CCC2)n1 ZINC000193218389 1024448919 /nfs/dbraw/zinc/44/89/19/1024448919.db2.gz DCPYHKKCPNNPCA-UHFFFAOYSA-N -1 3 354.326 2.888 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)[n-]n1 ZINC001157105710 1029469438 /nfs/dbraw/zinc/46/94/38/1029469438.db2.gz VETDRIKVPOFLFC-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)n[n-]1 ZINC001157105710 1029469444 /nfs/dbraw/zinc/46/94/44/1029469444.db2.gz VETDRIKVPOFLFC-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM CCc1ccc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2[O-])cc1[N+](=O)[O-] ZINC001158238401 1029767547 /nfs/dbraw/zinc/76/75/47/1029767547.db2.gz GQNYNGOODJJEFT-UHFFFAOYSA-N -1 3 374.349 2.910 20 5 FFBDHM CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661180 1034355371 /nfs/dbraw/zinc/35/53/71/1034355371.db2.gz LTZIWKRSWNSYCJ-LLVKDONJSA-N -1 3 353.375 2.864 20 5 FFBDHM C[C@@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225665432 1034359912 /nfs/dbraw/zinc/35/99/12/1034359912.db2.gz ZFUGCLORXPJPGD-MNOVXSKESA-N -1 3 353.375 2.862 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676256 1036249599 /nfs/dbraw/zinc/24/95/99/1036249599.db2.gz XUDZJLAKQAZXHC-SECBINFHSA-N -1 3 360.330 2.660 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228687653 1036257102 /nfs/dbraw/zinc/25/71/02/1036257102.db2.gz ZFMUWCWWYZLCSO-KOLCDFICSA-N -1 3 353.375 2.781 20 5 FFBDHM C[N@@H+]1CCC[C@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)CC1 ZINC001234122938 1036929530 /nfs/dbraw/zinc/92/95/30/1036929530.db2.gz CHAPHEWBGHVQPV-LBPRGKRZSA-N -1 3 371.389 2.926 20 5 FFBDHM C[N@H+]1CCC[C@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)CC1 ZINC001234122938 1036929542 /nfs/dbraw/zinc/92/95/42/1036929542.db2.gz CHAPHEWBGHVQPV-LBPRGKRZSA-N -1 3 371.389 2.926 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C2(O)CCCC2)c([N+](=O)[O-])s1 ZINC001309585518 1043445356 /nfs/dbraw/zinc/44/53/56/1043445356.db2.gz FESZGLNORRFJKL-UHFFFAOYSA-N -1 3 362.473 2.574 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[n-]n1 ZINC001295912760 1049998847 /nfs/dbraw/zinc/99/88/47/1049998847.db2.gz LHCUXFQNMBJOKK-UHFFFAOYSA-N -1 3 366.761 2.719 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n[n-]1 ZINC001295912760 1049998852 /nfs/dbraw/zinc/99/88/52/1049998852.db2.gz LHCUXFQNMBJOKK-UHFFFAOYSA-N -1 3 366.761 2.719 20 5 FFBDHM CC(C)[C@H](CO)O[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001298377528 1050427316 /nfs/dbraw/zinc/42/73/16/1050427316.db2.gz ODYHCEMKDLGYBL-QMMMGPOBSA-N -1 3 355.149 2.719 20 5 FFBDHM O=c1[n-]ccc(NC[C@H](O)COc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC001306944503 1052225586 /nfs/dbraw/zinc/22/55/86/1052225586.db2.gz OOARRUBXBKNRGS-QMMMGPOBSA-N -1 3 374.180 2.854 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc([C@@H](C)O)cc2)c(F)cc1[N+](=O)[O-] ZINC001309223299 1052578638 /nfs/dbraw/zinc/57/86/38/1052578638.db2.gz CYBYOUXXBQZDDD-LLVKDONJSA-N -1 3 368.386 2.574 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)C)C2(C)C)c(F)cc1[N+](=O)[O-] ZINC001309381295 1052609100 /nfs/dbraw/zinc/60/91/00/1052609100.db2.gz LTFNWSORCNHNNC-CABCVRRESA-N -1 3 374.434 2.913 20 5 FFBDHM COc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309457107 1052621768 /nfs/dbraw/zinc/62/17/68/1052621768.db2.gz PQQNKFLPHGKCBZ-JTQLQIEISA-N -1 3 370.452 2.883 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC001300179893 1056033036 /nfs/dbraw/zinc/03/30/36/1056033036.db2.gz OKJUNPLHSWPDCD-UHFFFAOYSA-N -1 3 362.411 2.786 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001452725102 1059287178 /nfs/dbraw/zinc/28/71/78/1059287178.db2.gz HMWLVXHMARHDEH-MRVPVSSYSA-N -1 3 370.287 2.672 20 5 FFBDHM O=C(Nc1ccc(SC(F)(F)F)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457858016 1060457579 /nfs/dbraw/zinc/45/75/79/1060457579.db2.gz OYCHMQNALKZOKO-UHFFFAOYSA-N -1 3 360.273 2.955 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3cc(O)ccc3C2)c([N+](=O)[O-])s1 ZINC001475249566 1061017128 /nfs/dbraw/zinc/01/71/28/1061017128.db2.gz GIQHARFMBSRZID-LBPRGKRZSA-N -1 3 368.436 2.506 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CCC3)c(Br)c1 ZINC001475651954 1061183378 /nfs/dbraw/zinc/18/33/78/1061183378.db2.gz VZOAZSREALQKDR-NSHDSACASA-N -1 3 361.217 2.578 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)c(Cl)ccc3F)n1 ZINC001462136532 1061515080 /nfs/dbraw/zinc/51/50/80/1061515080.db2.gz FGOFUJOYDREWPZ-UHFFFAOYSA-N -1 3 355.738 2.983 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001463605944 1062176963 /nfs/dbraw/zinc/17/69/63/1062176963.db2.gz QSMYPBVLCCIGQZ-NSHDSACASA-N -1 3 362.423 2.508 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)cc1C ZINC001464476585 1062634086 /nfs/dbraw/zinc/63/40/86/1062634086.db2.gz YKRVWMRKXSHGCU-VHSXEESVSA-N -1 3 352.334 2.688 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(Br)c2F)n1 ZINC001532112523 1062979099 /nfs/dbraw/zinc/97/90/99/1062979099.db2.gz LOGFYCXKHIJDJU-UHFFFAOYSA-N -1 3 357.139 2.965 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001532769934 1063169007 /nfs/dbraw/zinc/16/90/07/1063169007.db2.gz FSWRNCGSHAARDW-CYBMUJFWSA-N -1 3 356.382 2.639 20 5 FFBDHM O=C(Nc1cccc([O-])c1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001466118637 1063332832 /nfs/dbraw/zinc/33/28/32/1063332832.db2.gz NRDXYNBHUPRNEU-UHFFFAOYSA-N -1 3 356.313 2.937 20 5 FFBDHM Nc1ccc(C(=O)Nc2cc([O-])cc(Br)c2)cc1[N+](=O)[O-] ZINC001468026417 1063913891 /nfs/dbraw/zinc/91/38/91/1063913891.db2.gz AASNIVGYUSJBMH-UHFFFAOYSA-N -1 3 352.144 2.897 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001469715164 1064199505 /nfs/dbraw/zinc/19/95/05/1064199505.db2.gz MYUSWOCTEONDOO-UONOGXRCSA-N -1 3 358.398 2.608 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001470674594 1064406908 /nfs/dbraw/zinc/40/69/08/1064406908.db2.gz RDJRKYORZQSHSP-UHFFFAOYSA-N -1 3 362.773 2.527 20 5 FFBDHM COC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc12 ZINC001471029016 1064531060 /nfs/dbraw/zinc/53/10/60/1064531060.db2.gz WPWDWNREEOHDKT-UHFFFAOYSA-N -1 3 367.317 2.888 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(c3nnn[n-]3)CC2)nc1-c1ccc(F)cc1 ZINC001472856881 1065159531 /nfs/dbraw/zinc/15/95/31/1065159531.db2.gz OQJOADXYDGYVDY-UHFFFAOYSA-N -1 3 369.360 2.693 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(c3nn[n-]n3)CC2)nc1-c1ccc(F)cc1 ZINC001472856881 1065159535 /nfs/dbraw/zinc/15/95/35/1065159535.db2.gz OQJOADXYDGYVDY-UHFFFAOYSA-N -1 3 369.360 2.693 20 5 FFBDHM COc1c([O-])ccc(CNc2cccc3c2CCN3C(C)=O)c1[N+](=O)[O-] ZINC001474464993 1065529565 /nfs/dbraw/zinc/52/95/65/1065529565.db2.gz ISPBOAPNGMCGOH-UHFFFAOYSA-N -1 3 357.366 2.830 20 5 FFBDHM COc1c([O-])ccc(CNc2ccccc2[C@@H]2CCC(=O)N2)c1[N+](=O)[O-] ZINC001474690240 1065581133 /nfs/dbraw/zinc/58/11/33/1065581133.db2.gz QCJVVZMDXNFLAZ-AWEZNQCLSA-N -1 3 357.366 2.872 20 5 FFBDHM CCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC001578527657 1078487936 /nfs/dbraw/zinc/48/79/36/1078487936.db2.gz VDMNHWFEVOFSEX-UHFFFAOYSA-N -1 3 350.382 2.900 20 5 FFBDHM CCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC001578527657 1078487941 /nfs/dbraw/zinc/48/79/41/1078487941.db2.gz VDMNHWFEVOFSEX-UHFFFAOYSA-N -1 3 350.382 2.900 20 5 FFBDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001579430276 1078628252 /nfs/dbraw/zinc/62/82/52/1078628252.db2.gz MLEARIOBXFVQSW-UHFFFAOYSA-N -1 3 373.760 2.722 20 5 FFBDHM Cc1cc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC001580813808 1078870478 /nfs/dbraw/zinc/87/04/78/1078870478.db2.gz CCNQUAWECVEENQ-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM Cc1cc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC001580813808 1078870485 /nfs/dbraw/zinc/87/04/85/1078870485.db2.gz CCNQUAWECVEENQ-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1[N+](=O)[O-] ZINC001581197865 1078934609 /nfs/dbraw/zinc/93/46/09/1078934609.db2.gz UQGMZEOCGXJXQA-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC001581197865 1078934616 /nfs/dbraw/zinc/93/46/16/1078934616.db2.gz UQGMZEOCGXJXQA-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1C1CC1)c1csc([N+](=O)[O-])c1 ZINC001582636820 1079080452 /nfs/dbraw/zinc/08/04/52/1079080452.db2.gz QDJZQYLKYMCGSI-UHFFFAOYSA-N -1 3 356.367 2.966 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1csc([N+](=O)[O-])c1 ZINC001582636820 1079080458 /nfs/dbraw/zinc/08/04/58/1079080458.db2.gz QDJZQYLKYMCGSI-UHFFFAOYSA-N -1 3 356.367 2.966 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])o1)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001582705325 1079101894 /nfs/dbraw/zinc/10/18/94/1079101894.db2.gz KWQHQYWVZMEZIX-UHFFFAOYSA-N -1 3 354.326 2.567 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])o1)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001582705325 1079101902 /nfs/dbraw/zinc/10/19/02/1079101902.db2.gz KWQHQYWVZMEZIX-UHFFFAOYSA-N -1 3 354.326 2.567 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCO[C@H]1c1ccccc1 ZINC001582803425 1079109100 /nfs/dbraw/zinc/10/91/00/1079109100.db2.gz GVRXEYFQEARCRD-ZBFHGGJFSA-N -1 3 352.354 2.717 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCO[C@H]1c1ccccc1 ZINC001582803425 1079109102 /nfs/dbraw/zinc/10/91/02/1079109102.db2.gz GVRXEYFQEARCRD-ZBFHGGJFSA-N -1 3 352.354 2.717 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccnc(OCC3CC3)c2)c(-c2nnn[n-]2)c1 ZINC001582804617 1079109531 /nfs/dbraw/zinc/10/95/31/1079109531.db2.gz WRNAIPRTKAPYIS-UHFFFAOYSA-N -1 3 367.369 2.571 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccnc(OCC3CC3)c2)c(-c2nn[n-]n2)c1 ZINC001582804617 1079109538 /nfs/dbraw/zinc/10/95/38/1079109538.db2.gz WRNAIPRTKAPYIS-UHFFFAOYSA-N -1 3 367.369 2.571 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOc1ccc2c(c1)CCC2 ZINC001582804435 1079109956 /nfs/dbraw/zinc/10/99/56/1079109956.db2.gz STASRQWMHLYLCZ-UHFFFAOYSA-N -1 3 366.381 2.755 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOc1ccc2c(c1)CCC2 ZINC001582804435 1079109960 /nfs/dbraw/zinc/10/99/60/1079109960.db2.gz STASRQWMHLYLCZ-UHFFFAOYSA-N -1 3 366.381 2.755 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001583348179 1079196896 /nfs/dbraw/zinc/19/68/96/1079196896.db2.gz AFDFGAJBWQUOQG-LBPRGKRZSA-N -1 3 358.398 2.951 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])Cc1ccccc1 ZINC001561582764 1076394857 /nfs/dbraw/zinc/39/48/57/1076394857.db2.gz LGGISUBTMJPPSE-CYBMUJFWSA-N -1 3 370.452 2.501 20 5 FFBDHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)OC1 ZINC001561873432 1076437421 /nfs/dbraw/zinc/43/74/21/1076437421.db2.gz FECRQPMPFDFSQS-LLVKDONJSA-N -1 3 362.835 2.732 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001573901574 1077840420 /nfs/dbraw/zinc/84/04/20/1077840420.db2.gz AINBZBXAZBSDDH-UHFFFAOYSA-N -1 3 364.381 2.779 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCOCC1 ZINC001573901574 1077840428 /nfs/dbraw/zinc/84/04/28/1077840428.db2.gz AINBZBXAZBSDDH-UHFFFAOYSA-N -1 3 364.381 2.779 20 5 FFBDHM CC(C)(C)c1nnc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC001589247793 1080444569 /nfs/dbraw/zinc/44/45/69/1080444569.db2.gz SFQJTWNSNNXZME-UHFFFAOYSA-N -1 3 361.387 2.748 20 5 FFBDHM CC(C)(C)c1nnc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC001589247793 1080444572 /nfs/dbraw/zinc/44/45/72/1080444572.db2.gz SFQJTWNSNNXZME-UHFFFAOYSA-N -1 3 361.387 2.748 20 5 FFBDHM CC(C)N(C)c1ccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC001589678693 1080665484 /nfs/dbraw/zinc/66/54/84/1080665484.db2.gz PDDJOKRFWKMUIX-UHFFFAOYSA-N -1 3 372.364 2.897 20 5 FFBDHM CC(C)N(C)c1ccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1F ZINC001589678693 1080665488 /nfs/dbraw/zinc/66/54/88/1080665488.db2.gz PDDJOKRFWKMUIX-UHFFFAOYSA-N -1 3 372.364 2.897 20 5 FFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(-c2nnn[n-]2)cn1 ZINC001589701732 1080677421 /nfs/dbraw/zinc/67/74/21/1080677421.db2.gz XCZLBVSZWNOZLB-UHFFFAOYSA-N -1 3 353.386 2.581 20 5 FFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(-c2nn[n-]n2)cn1 ZINC001589701732 1080677426 /nfs/dbraw/zinc/67/74/26/1080677426.db2.gz XCZLBVSZWNOZLB-UHFFFAOYSA-N -1 3 353.386 2.581 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589803264 1080760257 /nfs/dbraw/zinc/76/02/57/1080760257.db2.gz MICLSAKPEXKFOK-QFYYESIMSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589803264 1080760265 /nfs/dbraw/zinc/76/02/65/1080760265.db2.gz MICLSAKPEXKFOK-QFYYESIMSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001589943558 1080887729 /nfs/dbraw/zinc/88/77/29/1080887729.db2.gz WBANXWOFSLENON-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001589943558 1080887738 /nfs/dbraw/zinc/88/77/38/1080887738.db2.gz WBANXWOFSLENON-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001590109304 1081020576 /nfs/dbraw/zinc/02/05/76/1081020576.db2.gz SUUYCCAGPPVAAT-JTQLQIEISA-N -1 3 371.323 2.585 20 5 FFBDHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC001590109304 1081020582 /nfs/dbraw/zinc/02/05/82/1081020582.db2.gz SUUYCCAGPPVAAT-JTQLQIEISA-N -1 3 371.323 2.585 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccco1 ZINC000272392227 252028067 /nfs/dbraw/zinc/02/80/67/252028067.db2.gz ILSPDKWPEWNJEZ-GFCCVEGCSA-N -1 3 372.374 2.691 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)c1 ZINC000272570263 252071248 /nfs/dbraw/zinc/07/12/48/252071248.db2.gz WMCDIPAASLIXOH-JTQLQIEISA-N -1 3 370.818 2.636 20 5 FFBDHM Cn1ncc2c1CCC[C@H]2[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272514041 252057219 /nfs/dbraw/zinc/05/72/19/252057219.db2.gz KMPYSRKGTMBJNS-CYBMUJFWSA-N -1 3 350.325 2.614 20 5 FFBDHM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272683595 252100096 /nfs/dbraw/zinc/10/00/96/252100096.db2.gz OIZBSVVKZOPNMY-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc([N+](=O)[O-])[n-]n2)cc1 ZINC000285976737 257014278 /nfs/dbraw/zinc/01/42/78/257014278.db2.gz HJXJIGXBAYEBGP-UHFFFAOYSA-N -1 3 362.342 2.908 20 5 FFBDHM CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1 ZINC000285976737 257014279 /nfs/dbraw/zinc/01/42/79/257014279.db2.gz HJXJIGXBAYEBGP-UHFFFAOYSA-N -1 3 362.342 2.908 20 5 FFBDHM O=C(c1cccc([O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000060355994 132303903 /nfs/dbraw/zinc/30/39/03/132303903.db2.gz NVNDIDUYXCARBK-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000032589902 506266992 /nfs/dbraw/zinc/26/69/92/506266992.db2.gz SZIOSXDJOAHCFJ-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])nc1C ZINC000067299356 506820817 /nfs/dbraw/zinc/82/08/17/506820817.db2.gz SHOBOPKBQYCJTO-UHFFFAOYSA-N -1 3 365.367 2.797 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000067433590 506878955 /nfs/dbraw/zinc/87/89/55/506878955.db2.gz KRFDDWRWISJLIV-OCCSQVGLSA-N -1 3 354.334 2.707 20 5 FFBDHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000056139515 506945896 /nfs/dbraw/zinc/94/58/96/506945896.db2.gz KRGDQNHUKXNHAH-UHFFFAOYSA-N -1 3 350.396 2.861 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000068939206 507367160 /nfs/dbraw/zinc/36/71/60/507367160.db2.gz NINZIQNFILEBNV-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCO[C@@H]1CCCC[C@@H]1C ZINC000058562812 507437985 /nfs/dbraw/zinc/43/79/85/507437985.db2.gz RNVHOOZIQPRXNK-SWLSCSKDSA-N -1 3 356.444 2.777 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1ccc(F)c(C)c1 ZINC000025768453 507531028 /nfs/dbraw/zinc/53/10/28/507531028.db2.gz VPOGJMBVJZKDLJ-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060496297 507552496 /nfs/dbraw/zinc/55/24/96/507552496.db2.gz HHXIJOWJJPAJRW-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060496859 507552591 /nfs/dbraw/zinc/55/25/91/507552591.db2.gz AHYWWDKDSCJSRY-UHFFFAOYSA-N -1 3 364.423 2.877 20 5 FFBDHM COc1ccccc1CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060497386 507552781 /nfs/dbraw/zinc/55/27/81/507552781.db2.gz BDBKVGVFMFAWCE-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000026601423 507599398 /nfs/dbraw/zinc/59/93/98/507599398.db2.gz SKTVTRDWYDLWKK-UHFFFAOYSA-N -1 3 373.398 2.711 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000029969923 507798478 /nfs/dbraw/zinc/79/84/78/507798478.db2.gz LSOBZZBTCYBQPW-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM CCOCc1ccccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000030519320 507809588 /nfs/dbraw/zinc/80/95/88/507809588.db2.gz WMQRYZMZEYXARL-UHFFFAOYSA-N -1 3 350.396 2.610 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000093002468 508113150 /nfs/dbraw/zinc/11/31/50/508113150.db2.gz LOGDIMIXWGWPNK-UHFFFAOYSA-N -1 3 359.404 2.594 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1n1cccn1 ZINC000081187204 508146482 /nfs/dbraw/zinc/14/64/82/508146482.db2.gz NSFFYTLETZUNMM-ZIAGYGMSSA-N -1 3 364.427 2.562 20 5 FFBDHM Cc1ccc(OCCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000101578455 508248457 /nfs/dbraw/zinc/24/84/57/508248457.db2.gz FCXSNEYAZBCEPE-UHFFFAOYSA-N -1 3 350.396 2.651 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000077174531 508283417 /nfs/dbraw/zinc/28/34/17/508283417.db2.gz XUMWRFRSMVSWOL-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367231712 512398436 /nfs/dbraw/zinc/39/84/36/512398436.db2.gz QNKPMMDJFVJPNM-OAHLLOKOSA-N -1 3 355.394 2.695 20 5 FFBDHM CCCCn1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C ZINC000157379580 508559460 /nfs/dbraw/zinc/55/94/60/508559460.db2.gz ZLJTXIIVOOECOE-UHFFFAOYSA-N -1 3 366.443 2.884 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000122738042 508580446 /nfs/dbraw/zinc/58/04/46/508580446.db2.gz BCIBWJRPUATWCI-CQSZACIVSA-N -1 3 369.468 2.546 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3C)[n-]c21 ZINC000158448984 508706157 /nfs/dbraw/zinc/70/61/57/508706157.db2.gz YUQCDVYQOWOFON-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])ccc3C)nc21 ZINC000158448984 508706166 /nfs/dbraw/zinc/70/61/66/508706166.db2.gz YUQCDVYQOWOFON-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(Cl)c1 ZINC000154302317 508755984 /nfs/dbraw/zinc/75/59/84/508755984.db2.gz NFBSZTNQDPABTI-APHBMKBZSA-N -1 3 364.810 2.865 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1c(C)noc1C ZINC000119316654 508771298 /nfs/dbraw/zinc/77/12/98/508771298.db2.gz VJCABSLTRFYAPH-GFCCVEGCSA-N -1 3 369.399 2.638 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000124508422 508844066 /nfs/dbraw/zinc/84/40/66/508844066.db2.gz XLBZGGGLIQMFAJ-ZDUSSCGKSA-N -1 3 370.452 2.757 20 5 FFBDHM O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(Br)c1 ZINC000151511878 509034091 /nfs/dbraw/zinc/03/40/91/509034091.db2.gz RWACHPMCWOJMGX-UHFFFAOYSA-N -1 3 365.183 2.922 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133117084 509118450 /nfs/dbraw/zinc/11/84/50/509118450.db2.gz HWIWVPKNVSFENK-UHFFFAOYSA-N -1 3 356.313 2.555 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000133397509 509154889 /nfs/dbraw/zinc/15/48/89/509154889.db2.gz ARMMUXGUAONRKH-UHFFFAOYSA-N -1 3 360.313 2.997 20 5 FFBDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)s1 ZINC000127085192 509165669 /nfs/dbraw/zinc/16/56/69/509165669.db2.gz FMMJREIFYQMKNI-ZETCQYMHSA-N -1 3 361.470 2.812 20 5 FFBDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000266868104 509232507 /nfs/dbraw/zinc/23/25/07/509232507.db2.gz ZMYFHUGUPARQJD-UHFFFAOYSA-N -1 3 353.425 2.717 20 5 FFBDHM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])sc1C ZINC000173226789 509465366 /nfs/dbraw/zinc/46/53/66/509465366.db2.gz AGRPRVSHYWSHKU-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM COc1cc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2n1 ZINC000173679328 509716982 /nfs/dbraw/zinc/71/69/82/509716982.db2.gz XCXSENQYFPBQIB-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000186482336 509731878 /nfs/dbraw/zinc/73/18/78/509731878.db2.gz GHWQJNRJIFPJLT-SNVBAGLBSA-N -1 3 355.441 2.750 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000173807368 509788658 /nfs/dbraw/zinc/78/86/58/509788658.db2.gz VHGRASDPOOFILH-AWEZNQCLSA-N -1 3 372.349 2.539 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])COCc1ccccc1 ZINC000193576850 509971849 /nfs/dbraw/zinc/97/18/49/509971849.db2.gz FEURYKOUGMQTME-AWEZNQCLSA-N -1 3 364.423 2.726 20 5 FFBDHM COCc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC000268500371 509972450 /nfs/dbraw/zinc/97/24/50/509972450.db2.gz RURDKHHNRAURPK-ZETCQYMHSA-N -1 3 371.806 2.632 20 5 FFBDHM Cc1cc(C)cc(-c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n[nH]2)c1 ZINC000187058123 510032205 /nfs/dbraw/zinc/03/22/05/510032205.db2.gz QUAOEICRTHMBEC-UHFFFAOYSA-N -1 3 353.338 2.955 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000268969754 510165933 /nfs/dbraw/zinc/16/59/33/510165933.db2.gz LFDRYNNVUXXSGW-SNVBAGLBSA-N -1 3 360.819 2.628 20 5 FFBDHM O=c1[n-]nc(SCc2ccc([N+](=O)[O-])cc2Cl)n1C[C@@H]1CCCO1 ZINC000180923287 510184848 /nfs/dbraw/zinc/18/48/48/510184848.db2.gz RREZYMZYIQVXON-NSHDSACASA-N -1 3 370.818 2.604 20 5 FFBDHM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000269148490 510259030 /nfs/dbraw/zinc/25/90/30/510259030.db2.gz NIPAZYNSQPONDE-OAHLLOKOSA-N -1 3 355.394 2.647 20 5 FFBDHM O=C([N-]c1cc(Br)c[nH]c1=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000171856506 510413001 /nfs/dbraw/zinc/41/30/01/510413001.db2.gz QOQCUGGVCOPZRL-UHFFFAOYSA-N -1 3 372.562 2.951 20 5 FFBDHM Cc1cc(F)cc2c(=O)c(C(=O)NCc3ccccc3[N+](=O)[O-])c[n-]c12 ZINC000178083707 510423999 /nfs/dbraw/zinc/42/39/99/510423999.db2.gz LZKHTSNRXXSIFK-UHFFFAOYSA-N -1 3 355.325 2.814 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)nn(C)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000175114215 510487658 /nfs/dbraw/zinc/48/76/58/510487658.db2.gz JLZBEIHHJFHQOO-LBPRGKRZSA-N -1 3 372.834 2.720 20 5 FFBDHM CN1CCC(N(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000184777515 510512369 /nfs/dbraw/zinc/51/23/69/510512369.db2.gz PKSPKIBFOBXTHD-UHFFFAOYSA-N -1 3 359.382 2.630 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1F ZINC000178291585 510531403 /nfs/dbraw/zinc/53/14/03/510531403.db2.gz OABRYTQBNNTAGK-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000184937048 510594077 /nfs/dbraw/zinc/59/40/77/510594077.db2.gz XBAOJALDEJVECN-LBPRGKRZSA-N -1 3 360.370 2.702 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000184937048 510594081 /nfs/dbraw/zinc/59/40/81/510594081.db2.gz XBAOJALDEJVECN-LBPRGKRZSA-N -1 3 360.370 2.702 20 5 FFBDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000175770180 510782408 /nfs/dbraw/zinc/78/24/08/510782408.db2.gz NXAJIPVTFNLKDQ-UHFFFAOYSA-N -1 3 371.437 2.937 20 5 FFBDHM CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000195339624 510791597 /nfs/dbraw/zinc/79/15/97/510791597.db2.gz WGMFWIZWUSXWAR-UHFFFAOYSA-N -1 3 373.413 2.680 20 5 FFBDHM CC(=O)N(c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)[C@@H]1C[C@H]1C ZINC000294166128 510977637 /nfs/dbraw/zinc/97/76/37/510977637.db2.gz NIRFLFOCKKSCPD-MEBBXXQBSA-N -1 3 370.365 2.709 20 5 FFBDHM O=C([N-]Cc1cccc(-n2cncn2)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000361750731 511087469 /nfs/dbraw/zinc/08/74/69/511087469.db2.gz JNQJCYKQYYRHCS-UHFFFAOYSA-N -1 3 373.319 2.584 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000292145506 511483522 /nfs/dbraw/zinc/48/35/22/511483522.db2.gz ZNWVUBGRXLFEJU-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281196077 511756294 /nfs/dbraw/zinc/75/62/94/511756294.db2.gz KQDLAAUPOZQRRZ-UHFFFAOYSA-N -1 3 357.410 2.941 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCCC1(C)C ZINC000328047896 511885030 /nfs/dbraw/zinc/88/50/30/511885030.db2.gz GPOOZHZAUNRQLS-CQSZACIVSA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382579224 512877895 /nfs/dbraw/zinc/87/78/95/512877895.db2.gz DUGLTHIUPBZSDP-CQSZACIVSA-N -1 3 370.409 2.789 20 5 FFBDHM CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000383122949 512880235 /nfs/dbraw/zinc/88/02/35/512880235.db2.gz CQZRCTOYNMMPME-HNNXBMFYSA-N -1 3 370.409 2.646 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000389992431 512904621 /nfs/dbraw/zinc/90/46/21/512904621.db2.gz OWELPSBOBNEHHG-XJKSGUPXSA-N -1 3 355.394 2.551 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CNc3ccccc3C2)cc1C ZINC000404489360 512968762 /nfs/dbraw/zinc/96/87/62/512968762.db2.gz PRFJLMZEXVYPMN-CQSZACIVSA-N -1 3 361.423 2.527 20 5 FFBDHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000446759669 513332903 /nfs/dbraw/zinc/33/29/03/513332903.db2.gz PVIJFMHSHZONFK-UHFFFAOYSA-N -1 3 364.379 2.632 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)cc1C ZINC000434765117 513422814 /nfs/dbraw/zinc/42/28/14/513422814.db2.gz PTLGMSZREJLTMN-HNNXBMFYSA-N -1 3 367.471 2.507 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c2ncccc12 ZINC000429884039 513489297 /nfs/dbraw/zinc/48/92/97/513489297.db2.gz WTXBJEGHFHPTFK-JTQLQIEISA-N -1 3 371.365 2.857 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000416538412 513823745 /nfs/dbraw/zinc/82/37/45/513823745.db2.gz QRJFDMCGZJXSEL-SECBINFHSA-N -1 3 353.425 2.580 20 5 FFBDHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000416599593 513858158 /nfs/dbraw/zinc/85/81/58/513858158.db2.gz PNGUZYMZICTAEL-YMTOWFKASA-N -1 3 362.835 2.730 20 5 FFBDHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000416606276 513864141 /nfs/dbraw/zinc/86/41/41/513864141.db2.gz WYLCHDCYCCLTAN-YMTOWFKASA-N -1 3 362.835 2.730 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c(Cl)c1 ZINC000443208216 513900524 /nfs/dbraw/zinc/90/05/24/513900524.db2.gz NVUACXALQGPGQU-CYBMUJFWSA-N -1 3 368.798 2.920 20 5 FFBDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000451673414 513903924 /nfs/dbraw/zinc/90/39/24/513903924.db2.gz KQIVPRUEDZTHLK-CABZTGNLSA-N -1 3 350.824 2.588 20 5 FFBDHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000431599256 513939893 /nfs/dbraw/zinc/93/98/93/513939893.db2.gz ZAWPFZIUNDAWRH-HAQNSBGRSA-N -1 3 370.427 2.613 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC000451831323 514010760 /nfs/dbraw/zinc/01/07/60/514010760.db2.gz ZJYGQARNAUPUBT-GDBMZVCRSA-N -1 3 370.471 2.941 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC000426731519 514026780 /nfs/dbraw/zinc/02/67/80/514026780.db2.gz FHGMSALRQVZNFD-SFHVURJKSA-N -1 3 369.421 2.899 20 5 FFBDHM O=C(c1ccc([O-])cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000436949292 514044848 /nfs/dbraw/zinc/04/48/48/514044848.db2.gz REWXCMGZZBJIMU-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436953272 514047391 /nfs/dbraw/zinc/04/73/91/514047391.db2.gz NQASEVWAHRIKAY-CJNGLKHVSA-N -1 3 355.394 2.866 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000427068864 514107439 /nfs/dbraw/zinc/10/74/39/514107439.db2.gz DVXDOJDDYGVKAE-UHFFFAOYSA-N -1 3 366.381 2.615 20 5 FFBDHM CC(C)(C(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000427068864 514107446 /nfs/dbraw/zinc/10/74/46/514107446.db2.gz DVXDOJDDYGVKAE-UHFFFAOYSA-N -1 3 366.381 2.615 20 5 FFBDHM CCOc1ccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1F ZINC000417566094 514411253 /nfs/dbraw/zinc/41/12/53/514411253.db2.gz HUAXFQPMVKNLSO-HNNXBMFYSA-N -1 3 362.357 2.918 20 5 FFBDHM CC(C)c1[nH]nc(C(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1[N+](=O)[O-] ZINC000428241161 514430111 /nfs/dbraw/zinc/43/01/11/514430111.db2.gz DDXLVWSXMMJHMP-UHFFFAOYSA-N -1 3 359.321 2.618 20 5 FFBDHM COc1cc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000424275078 514443384 /nfs/dbraw/zinc/44/33/84/514443384.db2.gz ZKVOWQQDUXJOGJ-LKFCYVNXSA-N -1 3 374.340 2.890 20 5 FFBDHM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000458193021 514616489 /nfs/dbraw/zinc/61/64/89/514616489.db2.gz IPXFECLZKCEPOK-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000508024795 514641758 /nfs/dbraw/zinc/64/17/58/514641758.db2.gz DPNODOJOEQATNU-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1[N+](=O)[O-] ZINC000467055104 514878983 /nfs/dbraw/zinc/87/89/83/514878983.db2.gz ADBADRULSOYULZ-XJKCOSOUSA-N -1 3 364.448 2.829 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467053732 514880492 /nfs/dbraw/zinc/88/04/92/514880492.db2.gz LTLAEXQDZQTLGE-VIFPVBQESA-N -1 3 374.415 2.850 20 5 FFBDHM Cn1c(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)ccc1[N+](=O)[O-] ZINC000485132591 514928953 /nfs/dbraw/zinc/92/89/53/514928953.db2.gz QLYKZQWKZIXOON-UHFFFAOYSA-N -1 3 352.310 2.717 20 5 FFBDHM Cn1c(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)ccc1[N+](=O)[O-] ZINC000485132591 514928963 /nfs/dbraw/zinc/92/89/63/514928963.db2.gz QLYKZQWKZIXOON-UHFFFAOYSA-N -1 3 352.310 2.717 20 5 FFBDHM Cn1c(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)ccc1[N+](=O)[O-] ZINC000485132591 514928972 /nfs/dbraw/zinc/92/89/72/514928972.db2.gz QLYKZQWKZIXOON-UHFFFAOYSA-N -1 3 352.310 2.717 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000462300081 514981634 /nfs/dbraw/zinc/98/16/34/514981634.db2.gz HIQVSPLYZLYSQE-LLVKDONJSA-N -1 3 370.427 2.613 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C12CCC2 ZINC000462324291 514993700 /nfs/dbraw/zinc/99/37/00/514993700.db2.gz XBINMMFZQOCXBX-JKSUJKDBSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000467395889 514994738 /nfs/dbraw/zinc/99/47/38/514994738.db2.gz JXGBKGRLEGHMIM-UHFFFAOYSA-N -1 3 370.452 2.939 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000467416798 514999726 /nfs/dbraw/zinc/99/97/26/514999726.db2.gz HMVRJULIOHINEM-NSHDSACASA-N -1 3 369.468 2.768 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000467416797 515000853 /nfs/dbraw/zinc/00/08/53/515000853.db2.gz HMVRJULIOHINEM-LLVKDONJSA-N -1 3 369.468 2.768 20 5 FFBDHM C[C@H]1CN(c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000485371545 515012049 /nfs/dbraw/zinc/01/20/49/515012049.db2.gz QNGAVOZKAWOXBK-RYUDHWBXSA-N -1 3 372.381 2.561 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c1[N+](=O)[O-] ZINC000480714202 515056291 /nfs/dbraw/zinc/05/62/91/515056291.db2.gz YABYKACBVIOSAC-UHFFFAOYSA-N -1 3 362.407 2.720 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000462488215 515079963 /nfs/dbraw/zinc/07/99/63/515079963.db2.gz VKROLPZJEXJSQO-ZIAGYGMSSA-N -1 3 354.428 2.851 20 5 FFBDHM COc1cc(NCCCNC(=O)c2cccc([O-])c2)c([N+](=O)[O-])cc1F ZINC000467718477 515094206 /nfs/dbraw/zinc/09/42/06/515094206.db2.gz PTUPDFADCSHNGQ-UHFFFAOYSA-N -1 3 363.345 2.680 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000480863425 515114354 /nfs/dbraw/zinc/11/43/54/515114354.db2.gz LJBZDKUXUKYITI-ZDUSSCGKSA-N -1 3 354.428 2.755 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@H]2C)c1C ZINC000480926159 515138663 /nfs/dbraw/zinc/13/86/63/515138663.db2.gz KNHXXMMNIVDQFS-KGLIPLIRSA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000481061087 515191294 /nfs/dbraw/zinc/19/12/94/515191294.db2.gz OEFGJJRXTORFMS-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000481061087 515191300 /nfs/dbraw/zinc/19/13/00/515191300.db2.gz OEFGJJRXTORFMS-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000481061087 515191307 /nfs/dbraw/zinc/19/13/07/515191307.db2.gz OEFGJJRXTORFMS-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000462718954 515211391 /nfs/dbraw/zinc/21/13/91/515211391.db2.gz FIZWTMKHMBLNNO-YNEHKIRRSA-N -1 3 354.428 2.851 20 5 FFBDHM CNc1c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000462778445 515238303 /nfs/dbraw/zinc/23/83/03/515238303.db2.gz VUKIDWCZIBHOKA-UHFFFAOYSA-N -1 3 373.319 2.979 20 5 FFBDHM Cc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])nn3C)s2)c(C)c1 ZINC000481561308 515381648 /nfs/dbraw/zinc/38/16/48/515381648.db2.gz JPWSXXIKKXOJKY-UHFFFAOYSA-N -1 3 358.383 2.716 20 5 FFBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505448992 515538986 /nfs/dbraw/zinc/53/89/86/515538986.db2.gz INWZROAWVHIHBP-UHFFFAOYSA-N -1 3 371.321 2.756 20 5 FFBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000486631722 515569932 /nfs/dbraw/zinc/56/99/32/515569932.db2.gz QLUFYRBWQXQNQD-HTQZYQBOSA-N -1 3 373.460 2.636 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000463684166 515580174 /nfs/dbraw/zinc/58/01/74/515580174.db2.gz KCEYKGQPJAZNSQ-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000469159867 515698116 /nfs/dbraw/zinc/69/81/16/515698116.db2.gz WVHWPULCIMVBGJ-UHFFFAOYSA-N -1 3 370.427 2.629 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cc(C)c(O)c(C)c2)c([N+](=O)[O-])c1 ZINC000469175147 515705626 /nfs/dbraw/zinc/70/56/26/515705626.db2.gz OXMLQOXESBZTMC-UHFFFAOYSA-N -1 3 364.423 2.747 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCCC(C)C ZINC000469176145 515705979 /nfs/dbraw/zinc/70/59/79/515705979.db2.gz KREOTLXNTYGJBS-GFCCVEGCSA-N -1 3 372.443 2.875 20 5 FFBDHM C[C@H]1[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000493998981 515708127 /nfs/dbraw/zinc/70/81/27/515708127.db2.gz GWLRKXLMLPSGNS-SCLBCKFNSA-N -1 3 355.394 2.693 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1=Cc2ccccc2OC1 ZINC000478249382 515753920 /nfs/dbraw/zinc/75/39/20/515753920.db2.gz BGWKMKUJTQHVOL-UHFFFAOYSA-N -1 3 362.345 2.821 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2n[nH]cc2c1 ZINC000511057056 515759207 /nfs/dbraw/zinc/75/92/07/515759207.db2.gz GPCXCBGIKGVFME-VIFPVBQESA-N -1 3 364.358 2.650 20 5 FFBDHM COc1cc(CNc2ccc3ccc(=O)n(C)c3c2)c([N+](=O)[O-])cc1[O-] ZINC000487160536 515781762 /nfs/dbraw/zinc/78/17/62/515781762.db2.gz OVDJDILMMRMLGO-UHFFFAOYSA-N -1 3 355.350 2.773 20 5 FFBDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506504429 515901198 /nfs/dbraw/zinc/90/11/98/515901198.db2.gz VZZHVQSTKVJKON-UHFFFAOYSA-N -1 3 371.437 2.937 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000474215234 515938877 /nfs/dbraw/zinc/93/88/77/515938877.db2.gz JPEGMVMINQOQMM-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM CNC(=O)Nc1cc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])ccc1F ZINC000512874098 516396462 /nfs/dbraw/zinc/39/64/62/516396462.db2.gz JSOIGLONFRRPIG-UHFFFAOYSA-N -1 3 364.333 2.812 20 5 FFBDHM COc1cc(F)cc2sc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc21 ZINC000517775690 516449764 /nfs/dbraw/zinc/44/97/64/516449764.db2.gz BAFTWALQVQLKKJ-UHFFFAOYSA-N -1 3 364.314 2.705 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(c2ccccc2)CCOCC1 ZINC000523684930 516545554 /nfs/dbraw/zinc/54/55/54/516545554.db2.gz QTKRMWPRPZEUCP-UHFFFAOYSA-N -1 3 362.407 2.579 20 5 FFBDHM CNc1ccc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000531821315 516659735 /nfs/dbraw/zinc/65/97/35/516659735.db2.gz RLPFUCOOTCFOKB-UHFFFAOYSA-N -1 3 373.319 2.979 20 5 FFBDHM COc1ccc(F)cc1-c1csc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n1 ZINC000554859988 516668703 /nfs/dbraw/zinc/66/87/03/516668703.db2.gz HWFZJZPKRZSXEG-UHFFFAOYSA-N -1 3 363.330 2.841 20 5 FFBDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)CO2 ZINC000559090321 517077863 /nfs/dbraw/zinc/07/78/63/517077863.db2.gz BYFQTYBDLSKQGQ-AWEZNQCLSA-N -1 3 362.407 2.932 20 5 FFBDHM COC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2[O-])cc([N+](=O)[O-])c1 ZINC000532836465 517162402 /nfs/dbraw/zinc/16/24/02/517162402.db2.gz AAFWFOSTFSCREH-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM CC1(C)Cc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2C(=O)C1 ZINC000543099749 517907948 /nfs/dbraw/zinc/90/79/48/517907948.db2.gz MYKFAKBMEUIQBA-UHFFFAOYSA-N -1 3 362.367 2.559 20 5 FFBDHM COCc1nnc(Sc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[n-]1 ZINC000534496254 517915691 /nfs/dbraw/zinc/91/56/91/517915691.db2.gz HLNLTQMXUOSSCR-UHFFFAOYSA-N -1 3 358.383 2.776 20 5 FFBDHM COCc1nc(Sc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[n-]1 ZINC000534496254 517915700 /nfs/dbraw/zinc/91/57/00/517915700.db2.gz HLNLTQMXUOSSCR-UHFFFAOYSA-N -1 3 358.383 2.776 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)c1 ZINC000553882439 517950528 /nfs/dbraw/zinc/95/05/28/517950528.db2.gz HNTILSGLUZSKMJ-RKDXNWHRSA-N -1 3 367.196 2.526 20 5 FFBDHM CCS(=O)(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000557415272 517994718 /nfs/dbraw/zinc/99/47/18/517994718.db2.gz OLJAJCLOGVQAJJ-UHFFFAOYSA-N -1 3 374.378 2.517 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000530904571 518043678 /nfs/dbraw/zinc/04/36/78/518043678.db2.gz VPDSZWFMTYCOLJ-UHFFFAOYSA-N -1 3 372.349 2.539 20 5 FFBDHM Cc1cc(Cc2noc(Cc3c(C)nc(C)[n-]c3=O)n2)ccc1[N+](=O)[O-] ZINC000547264722 518045297 /nfs/dbraw/zinc/04/52/97/518045297.db2.gz LHPCZSRRKADFNW-UHFFFAOYSA-N -1 3 355.354 2.580 20 5 FFBDHM Cc1cc(NCc2ccnc(OCCN(C)C)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578655185 518313569 /nfs/dbraw/zinc/31/35/69/518313569.db2.gz VRKRGOBLMGXYFN-UHFFFAOYSA-N -1 3 374.397 2.549 20 5 FFBDHM O=[N+]([O-])c1cc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cs1 ZINC000570188947 518486717 /nfs/dbraw/zinc/48/67/17/518486717.db2.gz OWGVVSPFKQNPFH-UHFFFAOYSA-N -1 3 371.415 2.848 20 5 FFBDHM Cc1cc(N2CCN(C)[C@@H](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570520464 518647255 /nfs/dbraw/zinc/64/72/55/518647255.db2.gz ZNBWZMGKPATQDG-INIZCTEOSA-N -1 3 369.421 2.965 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCOC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000573590149 518740112 /nfs/dbraw/zinc/74/01/12/518740112.db2.gz DDWOZSMVAHCBBG-UHFFFAOYSA-N -1 3 372.443 2.621 20 5 FFBDHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000565236273 518857190 /nfs/dbraw/zinc/85/71/90/518857190.db2.gz DKOYAEGAQRCQMO-UHFFFAOYSA-N -1 3 362.423 2.590 20 5 FFBDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000588906459 518866980 /nfs/dbraw/zinc/86/69/80/518866980.db2.gz NVOZFEWSGYIUMS-UHFFFAOYSA-N -1 3 350.824 2.589 20 5 FFBDHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000566015141 519248542 /nfs/dbraw/zinc/24/85/42/519248542.db2.gz KPZYXVAXXPFPEZ-KRWDZBQOSA-N -1 3 360.370 2.578 20 5 FFBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000574817906 519348214 /nfs/dbraw/zinc/34/82/14/519348214.db2.gz FMUAKDQCDBSISM-LBPRGKRZSA-N -1 3 352.334 2.776 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000569344562 519503271 /nfs/dbraw/zinc/50/32/71/519503271.db2.gz QYSZYOUSZJFBOX-UHFFFAOYSA-N -1 3 370.409 2.709 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000616417591 520007799 /nfs/dbraw/zinc/00/77/99/520007799.db2.gz SRVOSZJJKTVVND-LLVKDONJSA-N -1 3 353.400 2.856 20 5 FFBDHM C[C@@H](OCc1ccccc1)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000608789291 520129745 /nfs/dbraw/zinc/12/97/45/520129745.db2.gz HPCOTQONGMGMQM-CYBMUJFWSA-N -1 3 366.377 2.951 20 5 FFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OCC(F)F ZINC000608861470 520147493 /nfs/dbraw/zinc/14/74/93/520147493.db2.gz BCHYBRZCYYWPDB-UHFFFAOYSA-N -1 3 353.281 2.900 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000594869427 520198482 /nfs/dbraw/zinc/19/84/82/520198482.db2.gz JZGGBSVCJRNMRE-HUUCEWRRSA-N -1 3 362.407 2.828 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000603639950 520334364 /nfs/dbraw/zinc/33/43/64/520334364.db2.gz KKLBCVKEDAFXAE-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000609633122 520389594 /nfs/dbraw/zinc/38/95/94/520389594.db2.gz ZXVMTLITAZJRRQ-UHFFFAOYSA-N -1 3 350.396 2.731 20 5 FFBDHM O=C([O-])[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]2CCC[C@H]21 ZINC000600676508 520392440 /nfs/dbraw/zinc/39/24/40/520392440.db2.gz VYNLKAIIUHTHRX-RRFJBIMHSA-N -1 3 372.381 2.720 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC2(O)CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000595351716 520423213 /nfs/dbraw/zinc/42/32/13/520423213.db2.gz LFOXVTYGTCFWER-UHFFFAOYSA-N -1 3 362.473 2.574 20 5 FFBDHM CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c(C)c2)CC1 ZINC000604045314 520437657 /nfs/dbraw/zinc/43/76/57/520437657.db2.gz NUZXYQJUONBVMZ-UHFFFAOYSA-N -1 3 357.414 2.626 20 5 FFBDHM CN1CCC2(CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000592781973 520575770 /nfs/dbraw/zinc/57/57/70/520575770.db2.gz AECVDTGQSYTENQ-UHFFFAOYSA-N -1 3 353.806 2.654 20 5 FFBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000604490216 520577136 /nfs/dbraw/zinc/57/71/36/520577136.db2.gz FCVXEBHCCBKPJE-UHFFFAOYSA-N -1 3 361.423 2.692 20 5 FFBDHM O=C([O-])[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000595886607 520793648 /nfs/dbraw/zinc/79/36/48/520793648.db2.gz YBMHNEZQFHGQSR-KRWDZBQOSA-N -1 3 369.377 2.607 20 5 FFBDHM O=c1[n-]ccc(NC[C@H](O)COc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596086928 520904767 /nfs/dbraw/zinc/90/47/67/520904767.db2.gz CHRXAECIMVMFFO-JTQLQIEISA-N -1 3 373.287 2.566 20 5 FFBDHM O=c1[n-]ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c1[N+](=O)[O-] ZINC000596090330 520906232 /nfs/dbraw/zinc/90/62/32/520906232.db2.gz BPJUUJGWDHKVOC-UHFFFAOYSA-N -1 3 373.365 2.584 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)nc1 ZINC000593548585 521067356 /nfs/dbraw/zinc/06/73/56/521067356.db2.gz PIOXVZYQQFIFAM-GDBMZVCRSA-N -1 3 361.423 2.680 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000593560129 521076346 /nfs/dbraw/zinc/07/63/46/521076346.db2.gz PUFWLOLJGRTVFT-VHSXEESVSA-N -1 3 367.349 2.637 20 5 FFBDHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000599446684 521232651 /nfs/dbraw/zinc/23/26/51/521232651.db2.gz WKOUCTWXHFDQMG-UHFFFAOYSA-N -1 3 366.386 2.953 20 5 FFBDHM C[C@@H]1CCCc2ncc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)n21 ZINC000593893637 521278093 /nfs/dbraw/zinc/27/80/93/521278093.db2.gz MGAKOHUNZZSCLV-LLVKDONJSA-N -1 3 366.381 2.753 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000619496137 521597560 /nfs/dbraw/zinc/59/75/60/521597560.db2.gz FNCWODWRMXEFGK-UHFFFAOYSA-N -1 3 364.370 2.850 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ccsc2)cc1[N+](=O)[O-] ZINC000619752424 521854745 /nfs/dbraw/zinc/85/47/45/521854745.db2.gz ZJIWTWZGPWAQNS-MRVPVSSYSA-N -1 3 360.388 2.844 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000619796285 521877267 /nfs/dbraw/zinc/87/72/67/521877267.db2.gz GAOIPFIQFOWMJX-NXEZZACHSA-N -1 3 362.473 2.837 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000473847247 561059007 /nfs/dbraw/zinc/05/90/07/561059007.db2.gz CTGPRCWDTGHDJR-HNNXBMFYSA-N -1 3 368.353 2.607 20 5 FFBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCCC2 ZINC000736611947 598977526 /nfs/dbraw/zinc/97/75/26/598977526.db2.gz KXZVOCDCSDCGKU-HZPDHXFCSA-N -1 3 372.429 2.949 20 5 FFBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCCC2 ZINC000736611947 598977528 /nfs/dbraw/zinc/97/75/28/598977528.db2.gz KXZVOCDCSDCGKU-HZPDHXFCSA-N -1 3 372.429 2.949 20 5 FFBDHM C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379949 599234860 /nfs/dbraw/zinc/23/48/60/599234860.db2.gz IWLHKBGQTZMPFH-JTQLQIEISA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379949 599234863 /nfs/dbraw/zinc/23/48/63/599234863.db2.gz IWLHKBGQTZMPFH-JTQLQIEISA-N -1 3 353.342 2.658 20 5 FFBDHM Cc1ccccc1OCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737431362 598243626 /nfs/dbraw/zinc/24/36/26/598243626.db2.gz IDWGDTVIMDEOPA-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1ccccc1OCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737431362 598243627 /nfs/dbraw/zinc/24/36/27/598243627.db2.gz IDWGDTVIMDEOPA-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738206007 598569241 /nfs/dbraw/zinc/56/92/41/598569241.db2.gz ACORWLVYGCTXHN-UHFFFAOYSA-N -1 3 374.357 2.717 20 5 FFBDHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738206007 598569243 /nfs/dbraw/zinc/56/92/43/598569243.db2.gz ACORWLVYGCTXHN-UHFFFAOYSA-N -1 3 374.357 2.717 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737373224 598653829 /nfs/dbraw/zinc/65/38/29/598653829.db2.gz PZNOPPXIJWYHIT-UHFFFAOYSA-N -1 3 371.378 2.781 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737373224 598653831 /nfs/dbraw/zinc/65/38/31/598653831.db2.gz PZNOPPXIJWYHIT-UHFFFAOYSA-N -1 3 371.378 2.781 20 5 FFBDHM COc1ccccc1OCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737152540 598796349 /nfs/dbraw/zinc/79/63/49/598796349.db2.gz RRLAKYZBBSHJBT-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM COc1ccccc1OCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737152540 598796350 /nfs/dbraw/zinc/79/63/50/598796350.db2.gz RRLAKYZBBSHJBT-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000823639978 599317455 /nfs/dbraw/zinc/31/74/55/599317455.db2.gz OALZZZVWIMWQGY-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCNc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000823639978 599317456 /nfs/dbraw/zinc/31/74/56/599317456.db2.gz OALZZZVWIMWQGY-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM CC[C@@H](C)[C@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859692 599551884 /nfs/dbraw/zinc/55/18/84/599551884.db2.gz GPQMCMCPUBFZKM-BMLIUANNSA-N -1 3 371.401 2.532 20 5 FFBDHM CC[C@@H](C)[C@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859692 599551887 /nfs/dbraw/zinc/55/18/87/599551887.db2.gz GPQMCMCPUBFZKM-BMLIUANNSA-N -1 3 371.401 2.532 20 5 FFBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820389892 599554478 /nfs/dbraw/zinc/55/44/78/599554478.db2.gz BAFVADZSCLKCCS-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820389892 599554480 /nfs/dbraw/zinc/55/44/80/599554480.db2.gz BAFVADZSCLKCCS-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM CC(=O)N(C)c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000819789779 599688802 /nfs/dbraw/zinc/68/88/02/599688802.db2.gz XRTUADQQEWGNHB-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM CC(=O)N(C)c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000819789779 599688803 /nfs/dbraw/zinc/68/88/03/599688803.db2.gz XRTUADQQEWGNHB-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832905874 601654792 /nfs/dbraw/zinc/65/47/92/601654792.db2.gz XTKJTMQPGBAXQQ-ACJLOTCBSA-N -1 3 371.393 2.893 20 5 FFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823431304 606151276 /nfs/dbraw/zinc/15/12/76/606151276.db2.gz PSYBVAMKUAGKIM-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823431304 606151277 /nfs/dbraw/zinc/15/12/77/606151277.db2.gz PSYBVAMKUAGKIM-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820642720 606232240 /nfs/dbraw/zinc/23/22/40/606232240.db2.gz LAHDJQJIYRINMX-FZMZJTMJSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1[C@@H](c2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820642720 606232241 /nfs/dbraw/zinc/23/22/41/606232241.db2.gz LAHDJQJIYRINMX-FZMZJTMJSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497096 606357480 /nfs/dbraw/zinc/35/74/80/606357480.db2.gz PQOLBAVTXVJEQG-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497096 606357482 /nfs/dbraw/zinc/35/74/82/606357482.db2.gz PQOLBAVTXVJEQG-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820919522 606541290 /nfs/dbraw/zinc/54/12/90/606541290.db2.gz DYLCYBJIDVUYRZ-GFCCVEGCSA-N -1 3 358.383 2.718 20 5 FFBDHM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000820919522 606541292 /nfs/dbraw/zinc/54/12/92/606541292.db2.gz DYLCYBJIDVUYRZ-GFCCVEGCSA-N -1 3 358.383 2.718 20 5 FFBDHM O=[N+]([O-])c1cccc(OCCOc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000823647582 606786280 /nfs/dbraw/zinc/78/62/80/606786280.db2.gz MQUHXINAVQWJJT-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=[N+]([O-])c1cccc(OCCOc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000823647582 606786282 /nfs/dbraw/zinc/78/62/82/606786282.db2.gz MQUHXINAVQWJJT-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=C(c1sccc1-c1nnn[n-]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823498458 607235143 /nfs/dbraw/zinc/23/51/43/607235143.db2.gz QJXBKHRTCOUKTQ-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM O=C(c1sccc1-c1nn[n-]n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000823498458 607235144 /nfs/dbraw/zinc/23/51/44/607235144.db2.gz QJXBKHRTCOUKTQ-UHFFFAOYSA-N -1 3 370.394 2.641 20 5 FFBDHM CCOc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000821417767 607245349 /nfs/dbraw/zinc/24/53/49/607245349.db2.gz RHXYRRLRKBCGEF-UHFFFAOYSA-N -1 3 373.300 2.532 20 5 FFBDHM CCOc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000821417767 607245350 /nfs/dbraw/zinc/24/53/50/607245350.db2.gz RHXYRRLRKBCGEF-UHFFFAOYSA-N -1 3 373.300 2.532 20 5 FFBDHM Cc1cc(F)cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1[N+](=O)[O-] ZINC000822203475 607249468 /nfs/dbraw/zinc/24/94/68/607249468.db2.gz VOGKYFUVXRFNJL-UHFFFAOYSA-N -1 3 361.264 2.581 20 5 FFBDHM Cc1cc(F)cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1[N+](=O)[O-] ZINC000822203475 607249469 /nfs/dbraw/zinc/24/94/69/607249469.db2.gz VOGKYFUVXRFNJL-UHFFFAOYSA-N -1 3 361.264 2.581 20 5 FFBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826499095 607876010 /nfs/dbraw/zinc/87/60/10/607876010.db2.gz VTPAMKPWMIJJMH-AWEZNQCLSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826499095 607876011 /nfs/dbraw/zinc/87/60/11/607876011.db2.gz VTPAMKPWMIJJMH-AWEZNQCLSA-N -1 3 361.745 2.541 20 5 FFBDHM CCc1c(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000825693737 607935103 /nfs/dbraw/zinc/93/51/03/607935103.db2.gz BXOOIGMZVJEGSG-UHFFFAOYSA-N -1 3 356.390 2.933 20 5 FFBDHM CCc1c(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000825693737 607935104 /nfs/dbraw/zinc/93/51/04/607935104.db2.gz BXOOIGMZVJEGSG-UHFFFAOYSA-N -1 3 356.390 2.933 20 5 FFBDHM CN(Cc1ccc(Cl)c(F)c1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825966140 608099429 /nfs/dbraw/zinc/09/94/29/608099429.db2.gz PUFWQLTZWGWOCR-UHFFFAOYSA-N -1 3 363.740 2.599 20 5 FFBDHM CN(Cc1ccc(Cl)c(F)c1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825966140 608099430 /nfs/dbraw/zinc/09/94/30/608099430.db2.gz PUFWQLTZWGWOCR-UHFFFAOYSA-N -1 3 363.740 2.599 20 5 FFBDHM O=C(Cc1ccsc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826424142 608163416 /nfs/dbraw/zinc/16/34/16/608163416.db2.gz XRMMRPOZLMTAOC-UHFFFAOYSA-N -1 3 364.774 2.671 20 5 FFBDHM O=C(Cc1ccsc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826424142 608163417 /nfs/dbraw/zinc/16/34/17/608163417.db2.gz XRMMRPOZLMTAOC-UHFFFAOYSA-N -1 3 364.774 2.671 20 5 FFBDHM C[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824532145 608388322 /nfs/dbraw/zinc/38/83/22/608388322.db2.gz SIBIZMHVUDOWQS-SNVBAGLBSA-N -1 3 369.410 2.823 20 5 FFBDHM C[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824532145 608388324 /nfs/dbraw/zinc/38/83/24/608388324.db2.gz SIBIZMHVUDOWQS-SNVBAGLBSA-N -1 3 369.410 2.823 20 5 FFBDHM CC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823942734 609507373 /nfs/dbraw/zinc/50/73/73/609507373.db2.gz IEXJCWFQYCPCBC-NTMALXAHSA-N -1 3 369.312 2.923 20 5 FFBDHM CC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823942734 609507375 /nfs/dbraw/zinc/50/73/75/609507375.db2.gz IEXJCWFQYCPCBC-NTMALXAHSA-N -1 3 369.312 2.923 20 5 FFBDHM C[C@@H]1CCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824929472 609509466 /nfs/dbraw/zinc/50/94/66/609509466.db2.gz XVWPNNVBBXCJSO-VXNVDRBHSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@@H]1CCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824929472 609509467 /nfs/dbraw/zinc/50/94/67/609509467.db2.gz XVWPNNVBBXCJSO-VXNVDRBHSA-N -1 3 350.766 2.803 20 5 FFBDHM Cc1cc(C)cc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000826264449 609602548 /nfs/dbraw/zinc/60/25/48/609602548.db2.gz OTZKJGUHTHKQQX-ZDUSSCGKSA-N -1 3 365.397 2.781 20 5 FFBDHM Cc1cc(C)cc([C@H]2CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000826264449 609602549 /nfs/dbraw/zinc/60/25/49/609602549.db2.gz OTZKJGUHTHKQQX-ZDUSSCGKSA-N -1 3 365.397 2.781 20 5 FFBDHM O=C(COC(=O)c1ccc([O-])cc1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000005693699 727782276 /nfs/dbraw/zinc/78/22/76/727782276.db2.gz HBNDRPIDQXQLQI-UHFFFAOYSA-N -1 3 350.714 2.749 20 5 FFBDHM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000780913829 738588047 /nfs/dbraw/zinc/58/80/47/738588047.db2.gz PNCSOURRPHHKGY-DTWKUNHWSA-N -1 3 363.233 2.824 20 5 FFBDHM CCN(C)c1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000730269894 734624448 /nfs/dbraw/zinc/62/44/48/734624448.db2.gz LKPGQXUJGKWEKM-UHFFFAOYSA-N -1 3 367.402 2.669 20 5 FFBDHM O=C(OCc1cc(=O)c([O-])co1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000755099893 736232503 /nfs/dbraw/zinc/23/25/03/736232503.db2.gz NTARJPGRCAESQT-UHFFFAOYSA-N -1 3 359.212 2.629 20 5 FFBDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(C)c1 ZINC000763087953 736900681 /nfs/dbraw/zinc/90/06/81/736900681.db2.gz VCMBXWFGDOIDBK-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OCC(F)(F)F ZINC000766786142 737262016 /nfs/dbraw/zinc/26/20/16/737262016.db2.gz XIGHKKCKBXYVAK-UHFFFAOYSA-N -1 3 357.082 2.510 20 5 FFBDHM COc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1F ZINC000769892202 737579904 /nfs/dbraw/zinc/57/99/04/737579904.db2.gz XVJAQJGPODZISF-UHFFFAOYSA-N -1 3 356.331 2.552 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c1 ZINC000790404429 739448890 /nfs/dbraw/zinc/44/88/90/739448890.db2.gz QVRSGYHNXAFVAC-UHFFFAOYSA-N -1 3 357.775 2.766 20 5 FFBDHM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(=O)[nH]1 ZINC000790405155 739448965 /nfs/dbraw/zinc/44/89/65/739448965.db2.gz VFNRFPBABHCQAS-UHFFFAOYSA-N -1 3 357.775 2.766 20 5 FFBDHM CN(C)c1cc(F)c(C(=O)[N-]c2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000824125641 743023270 /nfs/dbraw/zinc/02/32/70/743023270.db2.gz NNXXMGZNINCSMT-UHFFFAOYSA-N -1 3 351.363 2.781 20 5 FFBDHM COC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])[n-]1 ZINC000845877095 748342607 /nfs/dbraw/zinc/34/26/07/748342607.db2.gz DRZQGTXCEJXPNG-OTYXRUKQSA-N -1 3 350.302 2.504 20 5 FFBDHM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000848590562 748968046 /nfs/dbraw/zinc/96/80/46/748968046.db2.gz FEZCZAIIRQDNNZ-CABZTGNLSA-N -1 3 352.297 2.585 20 5 FFBDHM C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)c2nccn21 ZINC000848591744 748969089 /nfs/dbraw/zinc/96/90/89/748969089.db2.gz NWSGIPJJGKGCHH-SKDRFNHKSA-N -1 3 352.297 2.585 20 5 FFBDHM Cc1ccc(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cn1 ZINC000826285955 947825491 /nfs/dbraw/zinc/82/54/91/947825491.db2.gz OUNTYFUWYUCBIC-UHFFFAOYSA-N -1 3 365.397 2.862 20 5 FFBDHM Cc1ccc(C2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cn1 ZINC000826285955 947825502 /nfs/dbraw/zinc/82/55/02/947825502.db2.gz OUNTYFUWYUCBIC-UHFFFAOYSA-N -1 3 365.397 2.862 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000826497702 948411622 /nfs/dbraw/zinc/41/16/22/948411622.db2.gz QQAKINOKLRZQNA-AWEZNQCLSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000826497702 948411628 /nfs/dbraw/zinc/41/16/28/948411628.db2.gz QQAKINOKLRZQNA-AWEZNQCLSA-N -1 3 370.344 2.572 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC001125500868 963815385 /nfs/dbraw/zinc/81/53/85/963815385.db2.gz QVTKWNRPTFBVAW-UHFFFAOYSA-N -1 3 356.306 2.529 20 5 FFBDHM COc1c([O-])ccc(CN(C)Cc2nc3ccccc3n2C)c1[N+](=O)[O-] ZINC000892032836 965848964 /nfs/dbraw/zinc/84/89/64/965848964.db2.gz PQMWDQYYUPFNCD-UHFFFAOYSA-N -1 3 356.382 2.828 20 5 FFBDHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176853284 1013795618 /nfs/dbraw/zinc/79/56/18/1013795618.db2.gz QZGSORBQFVWFKZ-UHFFFAOYSA-N -1 3 360.757 2.777 20 5 FFBDHM C[C@@H](CN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1)C(=O)[O-] ZINC001592609537 978554992 /nfs/dbraw/zinc/55/49/92/978554992.db2.gz BSUKUBURKKDPGS-VIFPVBQESA-N -1 3 352.778 2.741 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnc(-c2ccccn2)nc1 ZINC001124747962 992701693 /nfs/dbraw/zinc/70/16/93/992701693.db2.gz OQBDRYJYIGYYMK-UHFFFAOYSA-N -1 3 357.276 2.977 20 5 FFBDHM Cc1ccc(Cc2nnc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)cc1 ZINC001145103719 1000535288 /nfs/dbraw/zinc/53/52/88/1000535288.db2.gz LYFMDHSNHUTBGD-UHFFFAOYSA-N -1 3 371.378 2.698 20 5 FFBDHM COC(=O)c1sc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(=O)OC)c1C ZINC001199801655 1005031820 /nfs/dbraw/zinc/03/18/20/1005031820.db2.gz FVQJWHQAKRPVIN-UHFFFAOYSA-N -1 3 366.351 2.987 20 5 FFBDHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC001191240045 1007946617 /nfs/dbraw/zinc/94/66/17/1007946617.db2.gz WYVUWSAVTNAFJN-UONOGXRCSA-N -1 3 374.434 2.994 20 5 FFBDHM COc1cc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])cc1C ZINC000820619729 1008352375 /nfs/dbraw/zinc/35/23/75/1008352375.db2.gz YRTTVXVJWOAGEW-UHFFFAOYSA-N -1 3 371.393 2.580 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])[n-]n1 ZINC001179081619 1009252855 /nfs/dbraw/zinc/25/28/55/1009252855.db2.gz BSKUBGDBANNHKF-UHFFFAOYSA-N -1 3 360.370 2.799 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n[n-]1 ZINC001179081619 1009252865 /nfs/dbraw/zinc/25/28/65/1009252865.db2.gz BSKUBGDBANNHKF-UHFFFAOYSA-N -1 3 360.370 2.799 20 5 FFBDHM COc1c([O-])ccc(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1[N+](=O)[O-] ZINC001181970269 1010345690 /nfs/dbraw/zinc/34/56/90/1010345690.db2.gz BXEQFZROMGEYJN-NSHDSACASA-N -1 3 364.320 2.851 20 5 FFBDHM O=C1[N-]C(=O)C(=CNCCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000777868540 1019834310 /nfs/dbraw/zinc/83/43/10/1019834310.db2.gz ADMAQKKZAVOKDI-XNTDXEJSSA-N -1 3 371.780 2.691 20 5 FFBDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778246188 1021250687 /nfs/dbraw/zinc/25/06/87/1021250687.db2.gz QYSJGLXOMRZHFN-UHFFFAOYSA-N -1 3 360.280 2.505 20 5 FFBDHM CC(C)Oc1cc(C(=O)[N-]N2CCc3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC000839716348 1026802513 /nfs/dbraw/zinc/80/25/13/1026802513.db2.gz ATQMHSNLEZMJRR-UHFFFAOYSA-N -1 3 369.377 2.725 20 5 FFBDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c2=O ZINC001141767484 1026953815 /nfs/dbraw/zinc/95/38/15/1026953815.db2.gz LXUXOYHDQKATGX-UHFFFAOYSA-N -1 3 356.313 2.718 20 5 FFBDHM CCOc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c([N+](=O)[O-])cc1OC ZINC001159056401 1027251435 /nfs/dbraw/zinc/25/14/35/1027251435.db2.gz SZJIUDNHWBPEKP-UHFFFAOYSA-N -1 3 372.337 2.836 20 5 FFBDHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c([O-])ccc(Br)c1C ZINC001159551636 1027429590 /nfs/dbraw/zinc/42/95/90/1027429590.db2.gz NXRGPXWWAILBLJ-UHFFFAOYSA-N -1 3 369.175 2.515 20 5 FFBDHM COC(=O)c1ccnc([N-][C@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001156158845 1029068871 /nfs/dbraw/zinc/06/88/71/1029068871.db2.gz JDVVDJUJKBPDIW-LLVKDONJSA-N -1 3 356.260 2.887 20 5 FFBDHM O=C(Nc1cc(C(=O)OCc2ccccc2)n[n-]1)c1csc([N+](=O)[O-])c1 ZINC001158339977 1029802109 /nfs/dbraw/zinc/80/21/09/1029802109.db2.gz USCOKWKZAJLKLC-UHFFFAOYSA-N -1 3 372.362 2.989 20 5 FFBDHM O=C(Nc1cc(C(=O)OCc2ccccc2)[n-]n1)c1csc([N+](=O)[O-])c1 ZINC001158339977 1029802119 /nfs/dbraw/zinc/80/21/19/1029802119.db2.gz USCOKWKZAJLKLC-UHFFFAOYSA-N -1 3 372.362 2.989 20 5 FFBDHM COC(=O)c1nc(Cl)nc([N-][C@H](C2CCC2)C(F)(F)F)c1[N+](=O)[O-] ZINC001158400377 1029819914 /nfs/dbraw/zinc/81/99/14/1029819914.db2.gz TVIZDGFIYVPZJD-MRVPVSSYSA-N -1 3 368.699 2.968 20 5 FFBDHM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225661765 1034355651 /nfs/dbraw/zinc/35/56/51/1034355651.db2.gz OYLGLMHKFTYPRX-PXAZEXFGSA-N -1 3 365.386 2.864 20 5 FFBDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225663849 1034357797 /nfs/dbraw/zinc/35/77/97/1034357797.db2.gz HSYVTFIXQGHQAF-ZYHUDNBSSA-N -1 3 353.375 2.720 20 5 FFBDHM COc1cc(OC[C@@H]2CCCO2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647251 1035655314 /nfs/dbraw/zinc/65/53/14/1035655314.db2.gz XOAXAOBYKIZKDO-JTQLQIEISA-N -1 3 358.346 2.924 20 5 FFBDHM COC(=O)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])c1ccccc1Cl ZINC001228688990 1036259828 /nfs/dbraw/zinc/25/98/28/1036259828.db2.gz NZBWOWKHGQJQRN-CQSZACIVSA-N -1 3 352.730 2.950 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2C[C@@H](C(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228688323 1036259885 /nfs/dbraw/zinc/25/98/85/1036259885.db2.gz HSUVEOAEXHEIJV-OKILXGFUSA-N -1 3 358.350 2.905 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[N+](=O)[O-] ZINC001228688291 1036259919 /nfs/dbraw/zinc/25/99/19/1036259919.db2.gz GUXPYKPTJSHQCS-QJPTWQEYSA-N -1 3 365.386 2.638 20 5 FFBDHM O=[N+]([O-])C[C@H](Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)c1cccnc1 ZINC001233500978 1036661851 /nfs/dbraw/zinc/66/18/51/1036661851.db2.gz WIBCFEGNRGNWBD-ZDUSSCGKSA-N -1 3 363.717 2.916 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c(F)cc1[N+](=O)[O-] ZINC001209468048 1038902658 /nfs/dbraw/zinc/90/26/58/1038902658.db2.gz DGSAKCMPYJOFSF-UHFFFAOYSA-N -1 3 360.313 2.799 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CCC1)[C@@H]1CCOC1 ZINC001213450549 1040563408 /nfs/dbraw/zinc/56/34/08/1040563408.db2.gz CFVOBISEWMUBHA-IAQYHMDHSA-N -1 3 374.846 2.732 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2OCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC001214048866 1041190905 /nfs/dbraw/zinc/19/09/05/1041190905.db2.gz QUCJVDJUUJHSTK-HNNXBMFYSA-N -1 3 366.370 2.592 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001309794093 1043528730 /nfs/dbraw/zinc/52/87/30/1043528730.db2.gz GUBCEPWHAMYTQZ-HTRCEHHLSA-N -1 3 358.725 2.786 20 5 FFBDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001309918010 1043588761 /nfs/dbraw/zinc/58/87/61/1043588761.db2.gz SADBEJWTFZXVRA-SCZZXKLOSA-N -1 3 350.849 2.811 20 5 FFBDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1ccc(F)cc1[N+](=O)[O-] ZINC001319218269 1045071590 /nfs/dbraw/zinc/07/15/90/1045071590.db2.gz DUYZYEVUCOTKMF-UHFFFAOYSA-N -1 3 357.338 2.857 20 5 FFBDHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001307152610 1049394100 /nfs/dbraw/zinc/39/41/00/1049394100.db2.gz GSJAAEFSJHLKPB-DTWKUNHWSA-N -1 3 365.777 2.819 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccc4cnccc4c3[N+](=O)[O-])C2)n1 ZINC001307208759 1052268601 /nfs/dbraw/zinc/26/86/01/1052268601.db2.gz MKTHKWBQYOLFEY-ZDUSSCGKSA-N -1 3 366.381 2.638 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1nnc2ccccc2n1 ZINC001343708362 1052382441 /nfs/dbraw/zinc/38/24/41/1052382441.db2.gz PLLMXJHPCCVIHU-UHFFFAOYSA-N -1 3 361.264 2.787 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC001309312184 1052596883 /nfs/dbraw/zinc/59/68/83/1052596883.db2.gz LHWAMDZIYPKZSF-LBPRGKRZSA-N -1 3 372.418 2.812 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCC2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001475231154 1061008531 /nfs/dbraw/zinc/00/85/31/1061008531.db2.gz WSPJAMPINZJMRK-RYUDHWBXSA-N -1 3 374.434 2.914 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)c([N+](=O)[O-])s1 ZINC001475539807 1061131603 /nfs/dbraw/zinc/13/16/03/1061131603.db2.gz LMJRCIYQPNYMFD-WCQYABFASA-N -1 3 360.457 2.591 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCOCC23CCCC3)c(F)cc1[N+](=O)[O-] ZINC001475792634 1061279616 /nfs/dbraw/zinc/27/96/16/1061279616.db2.gz IUBJBDQAYNPSTB-OAHLLOKOSA-N -1 3 372.418 2.670 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c(F)cc1[N+](=O)[O-] ZINC001463616804 1062184727 /nfs/dbraw/zinc/18/47/27/1062184727.db2.gz IJQDUJYKQRTYRI-JTQLQIEISA-N -1 3 354.359 2.787 20 5 FFBDHM CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001464662631 1062748799 /nfs/dbraw/zinc/74/87/99/1062748799.db2.gz DADXUWNXFZWASJ-XYPYZODXSA-N -1 3 360.819 2.674 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ncnc3sccc32)cc([N+](=O)[O-])c1 ZINC001532081978 1062972859 /nfs/dbraw/zinc/97/28/59/1062972859.db2.gz NZJZJJHUMHIRPH-UHFFFAOYSA-N -1 3 358.335 2.638 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)on1 ZINC001533840579 1063421816 /nfs/dbraw/zinc/42/18/16/1063421816.db2.gz BWQVLOVGKBORMX-UHFFFAOYSA-N -1 3 359.216 2.641 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001442674503 1063555055 /nfs/dbraw/zinc/55/50/55/1063555055.db2.gz IEFLZRKHSZURKF-LSDHHAIUSA-N -1 3 350.338 2.517 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001442674503 1063555073 /nfs/dbraw/zinc/55/50/73/1063555073.db2.gz IEFLZRKHSZURKF-LSDHHAIUSA-N -1 3 350.338 2.517 20 5 FFBDHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1(C)C ZINC001475014458 1065672822 /nfs/dbraw/zinc/67/28/22/1065672822.db2.gz MIDMRFLJYJPQBT-UKRRQHHQSA-N -1 3 360.407 2.524 20 5 FFBDHM CCC1(CC)[C@H](OC)C[C@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001577109846 1078304674 /nfs/dbraw/zinc/30/46/74/1078304674.db2.gz DPWXRQJMIYGGKM-HUUCEWRRSA-N -1 3 360.418 2.805 20 5 FFBDHM CCC1(CC)[C@H](OC)C[C@H]1N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001577109846 1078304676 /nfs/dbraw/zinc/30/46/76/1078304676.db2.gz DPWXRQJMIYGGKM-HUUCEWRRSA-N -1 3 360.418 2.805 20 5 FFBDHM COc1cccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC001580061792 1078742341 /nfs/dbraw/zinc/74/23/41/1078742341.db2.gz SAUNEZCENXFGFA-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1cccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC001580061792 1078742347 /nfs/dbraw/zinc/74/23/47/1078742347.db2.gz SAUNEZCENXFGFA-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM Cc1cc(C)cc(CN(C)c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c1 ZINC001580907512 1078889830 /nfs/dbraw/zinc/88/98/30/1078889830.db2.gz HJPKQIZDRMPODE-UHFFFAOYSA-N -1 3 353.386 2.610 20 5 FFBDHM Cc1cc(C)cc(CN(C)c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c1 ZINC001580907512 1078889837 /nfs/dbraw/zinc/88/98/37/1078889837.db2.gz HJPKQIZDRMPODE-UHFFFAOYSA-N -1 3 353.386 2.610 20 5 FFBDHM Cc1cc(NC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC001580978948 1078901607 /nfs/dbraw/zinc/90/16/07/1078901607.db2.gz HKRJZSYSUPAYLI-UHFFFAOYSA-N -1 3 366.381 3.000 20 5 FFBDHM Cc1cc(NC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC001580978948 1078901610 /nfs/dbraw/zinc/90/16/10/1078901610.db2.gz HKRJZSYSUPAYLI-UHFFFAOYSA-N -1 3 366.381 3.000 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(F)cccc1[N+](=O)[O-] ZINC001582638499 1079081884 /nfs/dbraw/zinc/08/18/84/1079081884.db2.gz QZDBFJPATPWFKF-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001582689987 1079099128 /nfs/dbraw/zinc/09/91/28/1079099128.db2.gz FQQYOPSSNJPBAQ-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001582689987 1079099131 /nfs/dbraw/zinc/09/91/31/1079099131.db2.gz FQQYOPSSNJPBAQ-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001557791825 1075892420 /nfs/dbraw/zinc/89/24/20/1075892420.db2.gz VRXQXTIZWVLUPH-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001557791825 1075892425 /nfs/dbraw/zinc/89/24/25/1075892425.db2.gz VRXQXTIZWVLUPH-CYBMUJFWSA-N -1 3 366.381 2.982 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@]2(C)c2ccccc2)c([N+](=O)[O-])s1 ZINC001561315595 1076361125 /nfs/dbraw/zinc/36/11/25/1076361125.db2.gz DHXRQNBITSSGBO-ZFWWWQNUSA-N -1 3 352.437 2.973 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001570107559 1077183634 /nfs/dbraw/zinc/18/36/34/1077183634.db2.gz MWSKCQFGJKDAOD-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001570107559 1077183636 /nfs/dbraw/zinc/18/36/36/1077183636.db2.gz MWSKCQFGJKDAOD-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589029722 1080315279 /nfs/dbraw/zinc/31/52/79/1080315279.db2.gz GGRRCQAQENTTFN-JTQLQIEISA-N -1 3 371.328 2.761 20 5 FFBDHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001589029722 1080315283 /nfs/dbraw/zinc/31/52/83/1080315283.db2.gz GGRRCQAQENTTFN-JTQLQIEISA-N -1 3 371.328 2.761 20 5 FFBDHM CC(C)n1ncc2c1C[C@@H](Nc1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])CC2 ZINC001589784847 1080739053 /nfs/dbraw/zinc/73/90/53/1080739053.db2.gz NPGNOZAWIDAARZ-ZDUSSCGKSA-N -1 3 368.401 2.522 20 5 FFBDHM CC(C)n1ncc2c1C[C@@H](Nc1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])CC2 ZINC001589784847 1080739058 /nfs/dbraw/zinc/73/90/58/1080739058.db2.gz NPGNOZAWIDAARZ-ZDUSSCGKSA-N -1 3 368.401 2.522 20 5 FFBDHM C[C@@H](Sc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033591 1080959792 /nfs/dbraw/zinc/95/97/92/1080959792.db2.gz YWNJOSVJOSIRCP-MRVPVSSYSA-N -1 3 351.388 2.597 20 5 FFBDHM C[C@@H](Sc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001590033591 1080959798 /nfs/dbraw/zinc/95/97/98/1080959798.db2.gz YWNJOSVJOSIRCP-MRVPVSSYSA-N -1 3 351.388 2.597 20 5 FFBDHM C[C@H]1C[C@@H](c2cccnc2)N(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590214344 1081096880 /nfs/dbraw/zinc/09/68/80/1081096880.db2.gz MCEOOGFXGBADCV-HZMBPMFUSA-N -1 3 369.360 2.897 20 5 FFBDHM C[C@H]1C[C@@H](c2cccnc2)N(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590214344 1081096884 /nfs/dbraw/zinc/09/68/84/1081096884.db2.gz MCEOOGFXGBADCV-HZMBPMFUSA-N -1 3 369.360 2.897 20 5 FFBDHM CC(C)(C)N1C[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1=O ZINC000523830992 539623771 /nfs/dbraw/zinc/62/37/71/539623771.db2.gz IEPVQAYXMVMGKQ-GFCCVEGCSA-N -1 3 371.397 2.570 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000117643044 250354547 /nfs/dbraw/zinc/35/45/47/250354547.db2.gz AKELDRUBNFYWBM-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000117643044 250354550 /nfs/dbraw/zinc/35/45/50/250354550.db2.gz AKELDRUBNFYWBM-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C)C2)c1 ZINC000272437155 252037379 /nfs/dbraw/zinc/03/73/79/252037379.db2.gz HTZMAIPDEWHWAY-QWRGUYRKSA-N -1 3 362.835 2.650 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)n1 ZINC000272616503 252081106 /nfs/dbraw/zinc/08/11/06/252081106.db2.gz VMEUGIHVMDITBE-UHFFFAOYSA-N -1 3 364.333 2.675 20 5 FFBDHM COC(=O)c1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)cc([N+](=O)[O-])c1 ZINC000273185112 252244580 /nfs/dbraw/zinc/24/45/80/252244580.db2.gz OCNGNLUESBSTKA-UHFFFAOYSA-N -1 3 373.369 2.730 20 5 FFBDHM O=C(NCCNc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccc([O-])cc1 ZINC000301558987 258056021 /nfs/dbraw/zinc/05/60/21/258056021.db2.gz XJAJUMLSCTXJIM-UHFFFAOYSA-N -1 3 352.350 2.691 20 5 FFBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000066935628 506700066 /nfs/dbraw/zinc/70/00/66/506700066.db2.gz SPAOHGDHNSJWSS-UHFFFAOYSA-N -1 3 366.443 2.523 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000067433846 506878912 /nfs/dbraw/zinc/87/89/12/506878912.db2.gz ZXBUUARLNSVVEH-KBPBESRZSA-N -1 3 366.370 2.577 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCOCCc1ccccc1 ZINC000056124540 506941898 /nfs/dbraw/zinc/94/18/98/506941898.db2.gz KRWMCSDRDDZHLN-UHFFFAOYSA-N -1 3 364.423 2.523 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Cl)c1 ZINC000429884630 513489160 /nfs/dbraw/zinc/48/91/60/513489160.db2.gz YKNXGGKFFPODSM-QMMMGPOBSA-N -1 3 354.762 2.962 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000068937904 507364753 /nfs/dbraw/zinc/36/47/53/507364753.db2.gz STNMCNFIKGEBBN-LBPRGKRZSA-N -1 3 352.343 2.536 20 5 FFBDHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000069126131 507417042 /nfs/dbraw/zinc/41/70/42/507417042.db2.gz VANCCUCRYHTKGZ-SNVBAGLBSA-N -1 3 372.834 2.638 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000078705656 507898628 /nfs/dbraw/zinc/89/86/28/507898628.db2.gz SNDUZJWIOOEREL-CYBMUJFWSA-N -1 3 350.396 2.649 20 5 FFBDHM O=C(c1ccccc1[O-])N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091923402 508025054 /nfs/dbraw/zinc/02/50/54/508025054.db2.gz CAOCIEPIEOISNS-FNORWQNLSA-N -1 3 367.405 2.772 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 ZINC000075659742 508126589 /nfs/dbraw/zinc/12/65/89/508126589.db2.gz XHNHKFNJTVXNKU-UHFFFAOYSA-N -1 3 362.407 2.961 20 5 FFBDHM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000133523006 508411134 /nfs/dbraw/zinc/41/11/34/508411134.db2.gz LDTUHTPMUAPAGL-UHFFFAOYSA-N -1 3 369.830 2.793 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(Br)c1 ZINC000156522127 508432616 /nfs/dbraw/zinc/43/26/16/508432616.db2.gz BHFZKEFWLSEVRO-UHFFFAOYSA-N -1 3 365.183 2.922 20 5 FFBDHM O=c1[n-]nc(SCc2ccc(Cl)cc2[N+](=O)[O-])n1C[C@H]1CCCO1 ZINC000115964478 508458516 /nfs/dbraw/zinc/45/85/16/508458516.db2.gz ASFUVRZJFRBZKS-LLVKDONJSA-N -1 3 370.818 2.604 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000134145904 508500118 /nfs/dbraw/zinc/50/01/18/508500118.db2.gz IASQSCZNIAQIGO-ZDUSSCGKSA-N -1 3 362.407 2.843 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000134655534 508555904 /nfs/dbraw/zinc/55/59/04/508555904.db2.gz HVAJCLSQAROQCT-ZDUSSCGKSA-N -1 3 354.428 2.673 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)[n-]c21 ZINC000157805408 508614883 /nfs/dbraw/zinc/61/48/83/508614883.db2.gz FMACWFULCLFPKI-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc21 ZINC000157805408 508614884 /nfs/dbraw/zinc/61/48/84/508614884.db2.gz FMACWFULCLFPKI-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM O=C(NCCCNc1ncc(Cl)cc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000153674838 508622728 /nfs/dbraw/zinc/62/27/28/508622728.db2.gz BWQBGJGYNWBFSV-UHFFFAOYSA-N -1 3 350.762 2.581 20 5 FFBDHM COc1ccc(CCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000123272695 508661600 /nfs/dbraw/zinc/66/16/00/508661600.db2.gz ATPTUDHRMDCHBD-UHFFFAOYSA-N -1 3 370.452 2.884 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000119300478 508768139 /nfs/dbraw/zinc/76/81/39/508768139.db2.gz LFGRMTCNUWCMPU-LBPRGKRZSA-N -1 3 353.400 2.938 20 5 FFBDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000124237085 508801688 /nfs/dbraw/zinc/80/16/88/508801688.db2.gz RAFQANJXJNGUEC-UHFFFAOYSA-N -1 3 358.460 2.679 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(C)cc1 ZINC000159676361 508874606 /nfs/dbraw/zinc/87/46/06/508874606.db2.gz KQMHDNAVXSEUIY-CYBMUJFWSA-N -1 3 364.423 2.994 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000124918594 508905228 /nfs/dbraw/zinc/90/52/28/508905228.db2.gz FXMPZRHUBUVVHB-RYUDHWBXSA-N -1 3 370.456 2.623 20 5 FFBDHM CC[C@@H](C)NS(=O)(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000125532480 508996024 /nfs/dbraw/zinc/99/60/24/508996024.db2.gz FWGXUQCACCZLSM-SNVBAGLBSA-N -1 3 367.383 2.517 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000125674711 509014968 /nfs/dbraw/zinc/01/49/68/509014968.db2.gz YVKDZWSZZBWHDT-UHFFFAOYSA-N -1 3 364.427 2.693 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000151459046 509021668 /nfs/dbraw/zinc/02/16/68/509021668.db2.gz VNPIOEHLLYTGMG-AWEZNQCLSA-N -1 3 371.440 2.664 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000151477987 509025538 /nfs/dbraw/zinc/02/55/38/509025538.db2.gz LESDHPNNADHTBD-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)c2nccs2)c1C ZINC000120675255 509043192 /nfs/dbraw/zinc/04/31/92/509043192.db2.gz WOKUFNUSVOIJID-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000215988105 509254646 /nfs/dbraw/zinc/25/46/46/509254646.db2.gz NJYDNIFLYZSKBL-FZMZJTMJSA-N -1 3 372.443 2.630 20 5 FFBDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179457885 509454478 /nfs/dbraw/zinc/45/44/78/509454478.db2.gz FTZVLWSJADQEDT-UHFFFAOYSA-N -1 3 371.437 2.937 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000190083721 509928551 /nfs/dbraw/zinc/92/85/51/509928551.db2.gz VTSAVIGLWAPNAR-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM COC(=O)CCCc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000265723334 510197018 /nfs/dbraw/zinc/19/70/18/510197018.db2.gz NOZAFWLGMFEJFK-UHFFFAOYSA-N -1 3 364.383 2.503 20 5 FFBDHM CC[C@H](NCC(=O)[N-]C(=O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181548609 510467823 /nfs/dbraw/zinc/46/78/23/510467823.db2.gz QOQLVAYIFFWEMX-KRWDZBQOSA-N -1 3 371.393 2.601 20 5 FFBDHM O=C(Nc1cccc2c1OCC[C@@H]2O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000185323243 510806579 /nfs/dbraw/zinc/80/65/79/510806579.db2.gz QLXRJYXYWQSBOZ-AWEZNQCLSA-N -1 3 354.322 2.539 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000282325528 510931196 /nfs/dbraw/zinc/93/11/96/510931196.db2.gz NRPUEKMJMKGYRH-UHFFFAOYSA-N -1 3 363.349 2.501 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000291575574 511252410 /nfs/dbraw/zinc/25/24/10/511252410.db2.gz OHFVZUKPTRJHKQ-LBPRGKRZSA-N -1 3 359.348 2.794 20 5 FFBDHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299435825 511634010 /nfs/dbraw/zinc/63/40/10/511634010.db2.gz SNOZKFIZHMTVTR-UHFFFAOYSA-N -1 3 360.439 2.767 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)CC1 ZINC000327799895 511881614 /nfs/dbraw/zinc/88/16/14/511881614.db2.gz UIEXKJIFJVXIFW-VXGBXAGGSA-N -1 3 370.427 2.629 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000416648985 513888401 /nfs/dbraw/zinc/88/84/01/513888401.db2.gz PFYRUJJPNFTLBX-NSHDSACASA-N -1 3 350.824 2.588 20 5 FFBDHM C[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000367701308 512622854 /nfs/dbraw/zinc/62/28/54/512622854.db2.gz YYXIGCBBTAQJBV-DZGCQCFKSA-N -1 3 355.394 2.693 20 5 FFBDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000392634241 512927031 /nfs/dbraw/zinc/92/70/31/512927031.db2.gz BCGHYYLCXGJNGP-RYUDHWBXSA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000398069943 512953552 /nfs/dbraw/zinc/95/35/52/512953552.db2.gz ITKRMJSWJNQISC-RHSMWYFYSA-N -1 3 369.421 2.941 20 5 FFBDHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000374810582 513014957 /nfs/dbraw/zinc/01/49/57/513014957.db2.gz VZGJKBIUWNTGCS-VIFPVBQESA-N -1 3 359.454 2.777 20 5 FFBDHM CO[C@H](CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000417639880 513131001 /nfs/dbraw/zinc/13/10/01/513131001.db2.gz UWVQADCPXFPNFJ-INIZCTEOSA-N -1 3 373.409 2.942 20 5 FFBDHM Cc1c([N-]c2ncc(Br)cc2[N+](=O)[O-])cnn1[C@@H]1CCOC1 ZINC000450789400 513341904 /nfs/dbraw/zinc/34/19/04/513341904.db2.gz FQZNNYSQNYBDQT-SNVBAGLBSA-N -1 3 368.191 2.962 20 5 FFBDHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447028675 513384768 /nfs/dbraw/zinc/38/47/68/513384768.db2.gz OYDUJSQNSVIARU-MRVPVSSYSA-N -1 3 363.233 2.824 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000435206666 513532125 /nfs/dbraw/zinc/53/21/25/513532125.db2.gz NEGWHZMQKFTQHR-HYVNUMGLSA-N -1 3 358.419 2.910 20 5 FFBDHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000416504587 513805721 /nfs/dbraw/zinc/80/57/21/513805721.db2.gz WFMFMRYBKQFSES-SNVBAGLBSA-N -1 3 362.835 2.732 20 5 FFBDHM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000416503692 513806334 /nfs/dbraw/zinc/80/63/34/513806334.db2.gz QUGNLBCCJPHTIF-SNVBAGLBSA-N -1 3 362.835 2.732 20 5 FFBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416525314 513816619 /nfs/dbraw/zinc/81/66/19/513816619.db2.gz OYGZPGDFXGEEOO-UHFFFAOYSA-N -1 3 350.824 2.732 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000416535914 513821507 /nfs/dbraw/zinc/82/15/07/513821507.db2.gz KMZXCYQOUUNVPC-SECBINFHSA-N -1 3 353.425 2.580 20 5 FFBDHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000416580811 513846880 /nfs/dbraw/zinc/84/68/80/513846880.db2.gz FAIGWMXUTIXEDP-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC2CCOCC2)c1C ZINC000451610213 513864689 /nfs/dbraw/zinc/86/46/89/513864689.db2.gz SHSFFMYNOXRZRW-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c(F)c1 ZINC000443086209 513866868 /nfs/dbraw/zinc/86/68/68/513866868.db2.gz NLZYQMSOGFMPTM-UHFFFAOYSA-N -1 3 363.370 2.736 20 5 FFBDHM O=C(Nc1ccc(OC(F)(F)F)cc1O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000443563068 513995250 /nfs/dbraw/zinc/99/52/50/513995250.db2.gz XUWVONWWTZRHAA-UHFFFAOYSA-N -1 3 359.216 2.552 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000451815569 513999204 /nfs/dbraw/zinc/99/92/04/513999204.db2.gz HSUFKSHNVZWZGU-DGCLKSJQSA-N -1 3 362.473 2.694 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@H](CN1CCCc2ccccc21)C(=O)[O-] ZINC000426731518 514026465 /nfs/dbraw/zinc/02/64/65/514026465.db2.gz FHGMSALRQVZNFD-GOSISDBHSA-N -1 3 369.421 2.899 20 5 FFBDHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962114 514052818 /nfs/dbraw/zinc/05/28/18/514052818.db2.gz DBDXOFKPMKUOQQ-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436974396 514059006 /nfs/dbraw/zinc/05/90/06/514059006.db2.gz YHOTUHDRBVCDQQ-KDOFPFPSSA-N -1 3 369.421 2.941 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2OC)c(F)cc1F ZINC000427104634 514118347 /nfs/dbraw/zinc/11/83/47/514118347.db2.gz PLJUGFOTSFZSEY-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM CCOC(=O)c1ccc(F)c(C)c1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427400706 514205200 /nfs/dbraw/zinc/20/52/00/514205200.db2.gz WHCYSMAPPQWLNS-UHFFFAOYSA-N -1 3 364.333 2.688 20 5 FFBDHM O=C(Nc1ccnc(Sc2ccccn2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445185624 514436802 /nfs/dbraw/zinc/43/68/02/514436802.db2.gz QQPFDORQSFTVRE-UHFFFAOYSA-N -1 3 369.362 2.889 20 5 FFBDHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000497773852 514631059 /nfs/dbraw/zinc/63/10/59/514631059.db2.gz ASFDIMGQXLKNCM-SNVBAGLBSA-N -1 3 372.349 2.619 20 5 FFBDHM O=C(c1ccc2n[n-]nc2c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498153357 514781460 /nfs/dbraw/zinc/78/14/60/514781460.db2.gz OUIDNPBHCBRNOZ-INIZCTEOSA-N -1 3 355.379 2.754 20 5 FFBDHM COC(=O)c1c(F)ccc([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)c1F ZINC000485152124 514937753 /nfs/dbraw/zinc/93/77/53/514937753.db2.gz PNPPCMHZKMRZMS-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000462309578 514987551 /nfs/dbraw/zinc/98/75/51/514987551.db2.gz BHWBTOLVKOIJOP-KGLIPLIRSA-N -1 3 374.846 2.874 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000467407078 514995803 /nfs/dbraw/zinc/99/58/03/514995803.db2.gz WARVNMGZJYNKFJ-UHFFFAOYSA-N -1 3 352.437 2.975 20 5 FFBDHM CC[C@H]1CCCCN1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467407788 514997912 /nfs/dbraw/zinc/99/79/12/514997912.db2.gz YBWRUNTXZBEZQV-LBPRGKRZSA-N -1 3 361.489 2.508 20 5 FFBDHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467426546 515003442 /nfs/dbraw/zinc/00/34/42/515003442.db2.gz XIZVCPPAZJQDNS-SNVBAGLBSA-N -1 3 370.452 2.883 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2OC)c([O-])c1 ZINC000476472117 515060838 /nfs/dbraw/zinc/06/08/38/515060838.db2.gz OQADAEJVKGDFFT-UHFFFAOYSA-N -1 3 360.322 2.738 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(F)c1 ZINC000467758638 515104793 /nfs/dbraw/zinc/10/47/93/515104793.db2.gz JQWGTZBYMQYKAD-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000467768397 515109143 /nfs/dbraw/zinc/10/91/43/515109143.db2.gz HLJLUXPHFDZTEF-CYBMUJFWSA-N -1 3 364.851 2.978 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c1[N+](=O)[O-] ZINC000481017198 515175412 /nfs/dbraw/zinc/17/54/12/515175412.db2.gz VHAANWFEROQKGP-AWEZNQCLSA-N -1 3 362.407 2.883 20 5 FFBDHM Cn1nc(-c2cccs2)nc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000509507104 515210141 /nfs/dbraw/zinc/21/01/41/515210141.db2.gz WUJAPHCQJDODDP-UHFFFAOYSA-N -1 3 369.366 2.580 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000490534948 515241127 /nfs/dbraw/zinc/24/11/27/515241127.db2.gz NCSAZXNKAUPGGQ-UHFFFAOYSA-N -1 3 367.427 2.939 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000490625473 515266122 /nfs/dbraw/zinc/26/61/22/515266122.db2.gz KRWLMFIEFMHAJU-WDEREUQCSA-N -1 3 360.407 2.847 20 5 FFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000481336097 515296219 /nfs/dbraw/zinc/29/62/19/515296219.db2.gz GGKGUTRYPAGJIA-AAEUAGOBSA-N -1 3 360.457 2.556 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2N(C)C)cc1C ZINC000477129159 515340660 /nfs/dbraw/zinc/34/06/60/515340660.db2.gz UMXPXIBBONIJGQ-UHFFFAOYSA-N -1 3 363.439 2.756 20 5 FFBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491189295 515392524 /nfs/dbraw/zinc/39/25/24/515392524.db2.gz VABKXANPVHESCP-ZWNOBZJWSA-N -1 3 360.407 2.990 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]CCCC2CCCC2)cc1[N+](=O)[O-] ZINC000491247855 515401851 /nfs/dbraw/zinc/40/18/51/515401851.db2.gz RDXTWUZMTMZXST-UHFFFAOYSA-N -1 3 360.407 2.991 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000491337308 515415541 /nfs/dbraw/zinc/41/55/41/515415541.db2.gz ZBGYYENOYHPRTL-GIPNMCIBSA-N -1 3 360.407 2.846 20 5 FFBDHM CC[C@H](c1nnc([N-]C(=O)c2cc([N+](=O)[O-])nn2C)s1)c1ccccc1 ZINC000481887741 515501600 /nfs/dbraw/zinc/50/16/00/515501600.db2.gz MLIFVXVJISCCPH-NSHDSACASA-N -1 3 372.410 2.974 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC(C)(C)C ZINC000468815520 515532218 /nfs/dbraw/zinc/53/22/18/515532218.db2.gz CMGLIKHDPPZYEG-LLVKDONJSA-N -1 3 372.443 2.875 20 5 FFBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000486650417 515580073 /nfs/dbraw/zinc/58/00/73/515580073.db2.gz YTRFRFIRDJWQGT-MWLCHTKSSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]1 ZINC000486650417 515580083 /nfs/dbraw/zinc/58/00/83/515580083.db2.gz YTRFRFIRDJWQGT-MWLCHTKSSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000486650416 515580927 /nfs/dbraw/zinc/58/09/27/515580927.db2.gz YTRFRFIRDJWQGT-KOLCDFICSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@@H](C)c1nnc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]1 ZINC000486650416 515580931 /nfs/dbraw/zinc/58/09/31/515580931.db2.gz YTRFRFIRDJWQGT-KOLCDFICSA-N -1 3 367.431 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCSCC2)c(Cl)c1 ZINC000500158954 515611245 /nfs/dbraw/zinc/61/12/45/515611245.db2.gz RWPJRQXHRDXDQF-UHFFFAOYSA-N -1 3 350.849 2.670 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000493944876 515693499 /nfs/dbraw/zinc/69/34/99/515693499.db2.gz LUPLVKOUAKSXGH-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000505929498 515727599 /nfs/dbraw/zinc/72/75/99/515727599.db2.gz DOCMPUOMVGAASJ-XJKSGUPXSA-N -1 3 355.394 2.866 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000511033604 515752396 /nfs/dbraw/zinc/75/23/96/515752396.db2.gz UDUGCBUKTBXWDL-ZCFIWIBFSA-N -1 3 363.367 2.677 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000487140024 515774352 /nfs/dbraw/zinc/77/43/52/515774352.db2.gz SUOVLANOLJGRQO-CZUORRHYSA-N -1 3 356.444 2.633 20 5 FFBDHM CCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CCC1 ZINC000469364115 515785727 /nfs/dbraw/zinc/78/57/27/515785727.db2.gz YMMQVUZANXCZOL-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM Cc1ccc(F)c(OCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000487336952 515832267 /nfs/dbraw/zinc/83/22/67/515832267.db2.gz SLRZGPHWCOOASK-UHFFFAOYSA-N -1 3 370.340 2.872 20 5 FFBDHM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000511799440 516036330 /nfs/dbraw/zinc/03/63/30/516036330.db2.gz JIHJZDKZRMNQQA-CQSZACIVSA-N -1 3 364.423 2.957 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488760391 516302313 /nfs/dbraw/zinc/30/23/13/516302313.db2.gz MZRADMOJJWJSCQ-UHFFFAOYSA-N -1 3 352.387 2.990 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000517493178 516342380 /nfs/dbraw/zinc/34/23/80/516342380.db2.gz GYLIKZJYOAEBLE-SNVBAGLBSA-N -1 3 356.425 2.574 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000512770846 516352150 /nfs/dbraw/zinc/35/21/50/516352150.db2.gz PDXJDHSCHXYYLJ-SNVBAGLBSA-N -1 3 356.350 2.955 20 5 FFBDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000539947173 516367793 /nfs/dbraw/zinc/36/77/93/516367793.db2.gz ODOWDIDGGOGELI-MEDUHNTESA-N -1 3 368.386 2.788 20 5 FFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543851160 516460552 /nfs/dbraw/zinc/46/05/52/516460552.db2.gz RYPCRGDHMBMSSU-UHFFFAOYSA-N -1 3 367.190 2.585 20 5 FFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543851160 516460560 /nfs/dbraw/zinc/46/05/60/516460560.db2.gz RYPCRGDHMBMSSU-UHFFFAOYSA-N -1 3 367.190 2.585 20 5 FFBDHM CCCCn1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)n1 ZINC000540214201 516478202 /nfs/dbraw/zinc/47/82/02/516478202.db2.gz ZONBSTKROHHXGQ-UHFFFAOYSA-N -1 3 366.443 2.687 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535913373 516553732 /nfs/dbraw/zinc/55/37/32/516553732.db2.gz HKUHDUYIGVUNBM-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)cc1C ZINC000544104266 516584960 /nfs/dbraw/zinc/58/49/60/516584960.db2.gz IWGMPZYWVRCBDD-UONOGXRCSA-N -1 3 356.444 2.695 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1F ZINC000544104571 516585561 /nfs/dbraw/zinc/58/55/61/516585561.db2.gz LKEAJMZILFBQMX-UHFFFAOYSA-N -1 3 374.340 2.842 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c(Cl)c1 ZINC000554710502 516600229 /nfs/dbraw/zinc/60/02/29/516600229.db2.gz OXDOTNPWWHCANK-JTQLQIEISA-N -1 3 368.798 2.703 20 5 FFBDHM CC(C)(C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccnc1 ZINC000536135620 516645399 /nfs/dbraw/zinc/64/53/99/516645399.db2.gz KWUQJRBJFGZGKB-UHFFFAOYSA-N -1 3 351.366 2.718 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c(Cl)c1 ZINC000561560483 516653395 /nfs/dbraw/zinc/65/33/95/516653395.db2.gz FBPPECXVIOQZPA-VIFPVBQESA-N -1 3 350.849 2.670 20 5 FFBDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000524242804 516676915 /nfs/dbraw/zinc/67/69/15/516676915.db2.gz JYDFWUUUUKOJOK-NSHDSACASA-N -1 3 350.824 2.732 20 5 FFBDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000558434240 516741557 /nfs/dbraw/zinc/74/15/57/516741557.db2.gz IGCFNPGOSXJGKT-AWEZNQCLSA-N -1 3 370.452 2.694 20 5 FFBDHM Cc1ccccc1-c1cc(=NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[nH][n-]1 ZINC000537121111 517046259 /nfs/dbraw/zinc/04/62/59/517046259.db2.gz APNPIFAXVCVOKS-UHFFFAOYSA-N -1 3 355.329 2.689 20 5 FFBDHM COc1ccc(OCCSc2n[n-]c(-c3ccccn3)n2)c([N+](=O)[O-])c1 ZINC000525629324 517093407 /nfs/dbraw/zinc/09/34/07/517093407.db2.gz WCJAYMKYOBMDOT-UHFFFAOYSA-N -1 3 373.394 2.955 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000545365233 517201793 /nfs/dbraw/zinc/20/17/93/517201793.db2.gz PEMYDUFSAIOEMP-ZDUSSCGKSA-N -1 3 368.798 2.801 20 5 FFBDHM O=C(c1ccccc1)c1ccc(Sc2n[n-]c(CO)n2)c([N+](=O)[O-])c1 ZINC000526074527 517329891 /nfs/dbraw/zinc/32/98/91/517329891.db2.gz GHYFHMCUHMAAGW-UHFFFAOYSA-N -1 3 356.363 2.587 20 5 FFBDHM O=C([N-]c1nncn1C1CC1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000552671666 517342073 /nfs/dbraw/zinc/34/20/73/517342073.db2.gz FLQAVXDNMALLHZ-UHFFFAOYSA-N -1 3 350.338 2.836 20 5 FFBDHM CCOc1cc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)c([N+](=O)[O-])cc1OC ZINC000546150634 517568528 /nfs/dbraw/zinc/56/85/28/517568528.db2.gz FIAWBSONOJQNKZ-UHFFFAOYSA-N -1 3 361.358 2.640 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC000546175097 517581439 /nfs/dbraw/zinc/58/14/39/517581439.db2.gz GIGRXBHFUAHJCF-UHFFFAOYSA-N -1 3 352.334 2.975 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000521155270 517632114 /nfs/dbraw/zinc/63/21/14/517632114.db2.gz UIRIDOGPDLYACS-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1nc(C)c(Cc2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c(=O)[n-]1 ZINC000546487596 517697786 /nfs/dbraw/zinc/69/77/86/517697786.db2.gz BJYPBBJSFXFHIR-UHFFFAOYSA-N -1 3 355.354 2.580 20 5 FFBDHM CCCCCn1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000546877258 517900412 /nfs/dbraw/zinc/90/04/12/517900412.db2.gz MPZNKXDCQPLGMZ-UHFFFAOYSA-N -1 3 366.443 2.768 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCSCC(C)C ZINC000535141427 518157287 /nfs/dbraw/zinc/15/72/87/518157287.db2.gz IOQKTKSTPLHQJP-UHFFFAOYSA-N -1 3 362.473 2.661 20 5 FFBDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575942428 518353913 /nfs/dbraw/zinc/35/39/13/518353913.db2.gz DYKNIAZPOXUEGZ-RFAUZJTJSA-N -1 3 352.343 2.534 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000588141679 518734127 /nfs/dbraw/zinc/73/41/27/518734127.db2.gz PQAXQPOZYRXVCY-NXSYQRQQSA-N -1 3 372.399 2.904 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CCCN(C)Cc2ccco2)n1 ZINC000567977497 518810734 /nfs/dbraw/zinc/81/07/34/518810734.db2.gz AVLCTOUAZFLNMR-UHFFFAOYSA-N -1 3 362.386 2.548 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCN1C1CC1 ZINC000577341618 519029759 /nfs/dbraw/zinc/02/97/59/519029759.db2.gz FRNLBBRFKVITJG-ZDUSSCGKSA-N -1 3 373.862 2.543 20 5 FFBDHM COc1ccc([O-])c(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000568939689 519292047 /nfs/dbraw/zinc/29/20/47/519292047.db2.gz YUIHAXDSNUHMJE-UHFFFAOYSA-N -1 3 355.350 2.763 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594473613 519983709 /nfs/dbraw/zinc/98/37/09/519983709.db2.gz NLLRZUNZDJYFQM-JSGCOSHPSA-N -1 3 360.457 2.591 20 5 FFBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)cc1 ZINC000608780913 520125228 /nfs/dbraw/zinc/12/52/28/520125228.db2.gz VYHZZANHAQJUDG-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000609197042 520228825 /nfs/dbraw/zinc/22/88/25/520228825.db2.gz GCYQNYSCGRQZEG-CQSZACIVSA-N -1 3 353.375 2.949 20 5 FFBDHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595355539 520424859 /nfs/dbraw/zinc/42/48/59/520424859.db2.gz VZJFGSAXZYCBHF-SJORKVTESA-N -1 3 364.423 2.631 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000595378283 520437329 /nfs/dbraw/zinc/43/73/29/520437329.db2.gz YVHKXCYGDOHCGJ-INIZCTEOSA-N -1 3 356.444 2.610 20 5 FFBDHM COC1(C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C(=O)[O-])CCC1 ZINC000593010656 520683216 /nfs/dbraw/zinc/68/32/16/520683216.db2.gz JTXXPIAAUJNMKK-GFCCVEGCSA-N -1 3 374.340 2.698 20 5 FFBDHM O=C([O-])[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000595883440 520791856 /nfs/dbraw/zinc/79/18/56/520791856.db2.gz AXXTWFORBFUCFO-HNNXBMFYSA-N -1 3 369.377 2.607 20 5 FFBDHM COc1ccccc1NC(=O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078923 520899562 /nfs/dbraw/zinc/89/95/62/520899562.db2.gz FLFJQLXTQJXBHN-UHFFFAOYSA-N -1 3 372.381 2.559 20 5 FFBDHM Cc1ccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)nn1 ZINC000618377333 521041310 /nfs/dbraw/zinc/04/13/10/521041310.db2.gz JDLVAWAMZAXCNC-UHFFFAOYSA-N -1 3 367.321 2.838 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)c1[N+](=O)[O-] ZINC000599463573 521240597 /nfs/dbraw/zinc/24/05/97/521240597.db2.gz GIXSSWOSWNMZMG-HNNXBMFYSA-N -1 3 367.471 2.507 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c1 ZINC000599502620 521263351 /nfs/dbraw/zinc/26/33/51/521263351.db2.gz BBDVASGEYVLSEO-UHFFFAOYSA-N -1 3 352.334 2.996 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H](Oc2ccccc2)C1 ZINC000738357913 598830339 /nfs/dbraw/zinc/83/03/39/598830339.db2.gz IRBFSLKBBJLSRT-HNNXBMFYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H](Oc2ccccc2)C1 ZINC000738357913 598830341 /nfs/dbraw/zinc/83/03/41/598830341.db2.gz IRBFSLKBBJLSRT-HNNXBMFYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H](CCCO)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738370801 598977867 /nfs/dbraw/zinc/97/78/67/598977867.db2.gz QLYCIEOAIIHSLG-HNNXBMFYSA-N -1 3 354.370 2.701 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H](CCCO)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738370801 598977868 /nfs/dbraw/zinc/97/78/68/598977868.db2.gz QLYCIEOAIIHSLG-HNNXBMFYSA-N -1 3 354.370 2.701 20 5 FFBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820774901 599050468 /nfs/dbraw/zinc/05/04/68/599050468.db2.gz GUVSYFPKGXDWPH-WFASDCNBSA-N -1 3 365.397 2.800 20 5 FFBDHM C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820774901 599050471 /nfs/dbraw/zinc/05/04/71/599050471.db2.gz GUVSYFPKGXDWPH-WFASDCNBSA-N -1 3 365.397 2.800 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccc(F)cc1 ZINC000820281572 599069559 /nfs/dbraw/zinc/06/95/59/599069559.db2.gz WLUIVGCPULECCA-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccc(F)cc1 ZINC000820281572 599069561 /nfs/dbraw/zinc/06/95/61/599069561.db2.gz WLUIVGCPULECCA-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM Cc1nc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2n1C ZINC000822458927 599108771 /nfs/dbraw/zinc/10/87/71/599108771.db2.gz JFJKFPLBIZOJQW-UHFFFAOYSA-N -1 3 350.342 2.714 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737265567 599304264 /nfs/dbraw/zinc/30/42/64/599304264.db2.gz WXVQCEIFBCOEGW-UHFFFAOYSA-N -1 3 373.756 2.885 20 5 FFBDHM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737265567 599304267 /nfs/dbraw/zinc/30/42/67/599304267.db2.gz WXVQCEIFBCOEGW-UHFFFAOYSA-N -1 3 373.756 2.885 20 5 FFBDHM Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cccc1-c1nnn[n-]1 ZINC000822077819 607321986 /nfs/dbraw/zinc/32/19/86/607321986.db2.gz YRMZTFGLHPQRFH-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cccc1-c1nn[n-]n1 ZINC000822077819 607321987 /nfs/dbraw/zinc/32/19/87/607321987.db2.gz YRMZTFGLHPQRFH-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM CC(C)(C)c1csc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000735655679 598501724 /nfs/dbraw/zinc/50/17/24/598501724.db2.gz BZHOGBVUDPPZCT-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CC(C)(C)c1csc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000735655679 598501726 /nfs/dbraw/zinc/50/17/26/598501726.db2.gz BZHOGBVUDPPZCT-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(-c4nnn[n-]4)cc3)sc2c1 ZINC000738366086 598537087 /nfs/dbraw/zinc/53/70/87/598537087.db2.gz BQYJBAAWJOKYJR-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3ccc(-c4nn[n-]n4)cc3)sc2c1 ZINC000738366086 598537088 /nfs/dbraw/zinc/53/70/88/598537088.db2.gz BQYJBAAWJOKYJR-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737797167 598592103 /nfs/dbraw/zinc/59/21/03/598592103.db2.gz IQFSPVWSOOOSPG-FPYGCLRLSA-N -1 3 354.301 2.566 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737797167 598592105 /nfs/dbraw/zinc/59/21/05/598592105.db2.gz IQFSPVWSOOOSPG-FPYGCLRLSA-N -1 3 354.301 2.566 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCOc2ccc(F)cc21 ZINC000738360773 598592857 /nfs/dbraw/zinc/59/28/57/598592857.db2.gz YOLDHBOIRDDMMV-LBPRGKRZSA-N -1 3 356.317 2.850 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCOc2ccc(F)cc21 ZINC000738360773 598592859 /nfs/dbraw/zinc/59/28/59/598592859.db2.gz YOLDHBOIRDDMMV-LBPRGKRZSA-N -1 3 356.317 2.850 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC(c3ccccc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000738368006 599441840 /nfs/dbraw/zinc/44/18/40/599441840.db2.gz BNUOHJBZKZARPM-UHFFFAOYSA-N -1 3 369.360 2.693 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC(c3ccccc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000738368006 599441842 /nfs/dbraw/zinc/44/18/42/599441842.db2.gz BNUOHJBZKZARPM-UHFFFAOYSA-N -1 3 369.360 2.693 20 5 FFBDHM CCc1ccc([C@H](COC)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000821480821 599585341 /nfs/dbraw/zinc/58/53/41/599585341.db2.gz FIWGXCJSFRKOFU-ZDUSSCGKSA-N -1 3 358.358 2.730 20 5 FFBDHM CCc1ccc([C@H](COC)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])o1 ZINC000821480821 599585343 /nfs/dbraw/zinc/58/53/43/599585343.db2.gz FIWGXCJSFRKOFU-ZDUSSCGKSA-N -1 3 358.358 2.730 20 5 FFBDHM Cc1c(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cccc1[N+](=O)[O-] ZINC000826236532 607390949 /nfs/dbraw/zinc/39/09/49/607390949.db2.gz QIVAQIKRBWLHLS-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM Cc1c(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cccc1[N+](=O)[O-] ZINC000826236532 607390951 /nfs/dbraw/zinc/39/09/51/607390951.db2.gz QIVAQIKRBWLHLS-UHFFFAOYSA-N -1 3 371.328 2.508 20 5 FFBDHM O=C([O-])CC1(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCC1 ZINC000833205402 601555495 /nfs/dbraw/zinc/55/54/95/601555495.db2.gz CYZYUUUZRXSTPZ-UHFFFAOYSA-N -1 3 360.370 2.912 20 5 FFBDHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826296051 607525329 /nfs/dbraw/zinc/52/53/29/607525329.db2.gz HVRUKAHTZQHAKT-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c1 ZINC000826296051 607525330 /nfs/dbraw/zinc/52/53/30/607525330.db2.gz HVRUKAHTZQHAKT-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=C([O-])N1CCc2cccc(CNCCOc3ccc([N+](=O)[O-])cc3)c21 ZINC000832087229 603861182 /nfs/dbraw/zinc/86/11/82/603861182.db2.gz PDYTZHKBQTUHTE-UHFFFAOYSA-N -1 3 357.366 2.804 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC2([C@@H](O)c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498698 607735371 /nfs/dbraw/zinc/73/53/71/607735371.db2.gz FUNRBWQJNWSCSX-INIZCTEOSA-N -1 3 366.381 2.701 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC2([C@@H](O)c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498698 607735372 /nfs/dbraw/zinc/73/53/72/607735372.db2.gz FUNRBWQJNWSCSX-INIZCTEOSA-N -1 3 366.381 2.701 20 5 FFBDHM O=C([O-])Nc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000834269315 605607477 /nfs/dbraw/zinc/60/74/77/605607477.db2.gz SJQCWFMKUZYHGD-CQSZACIVSA-N -1 3 357.370 2.766 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2c(F)c(F)cc(F)c2F)c(-c2nnn[n-]2)c1 ZINC000823640275 606431688 /nfs/dbraw/zinc/43/16/88/606431688.db2.gz ZUZWQYFHJLRYFN-UHFFFAOYSA-N -1 3 368.250 2.943 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2c(F)c(F)cc(F)c2F)c(-c2nn[n-]n2)c1 ZINC000823640275 606431690 /nfs/dbraw/zinc/43/16/90/606431690.db2.gz ZUZWQYFHJLRYFN-UHFFFAOYSA-N -1 3 368.250 2.943 20 5 FFBDHM COc1cccc2c1CC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821877598 607119610 /nfs/dbraw/zinc/11/96/10/607119610.db2.gz NCXDVUVSWPTHFM-CQSZACIVSA-N -1 3 352.354 2.883 20 5 FFBDHM COc1cccc2c1CC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821877598 607119613 /nfs/dbraw/zinc/11/96/13/607119613.db2.gz NCXDVUVSWPTHFM-CQSZACIVSA-N -1 3 352.354 2.883 20 5 FFBDHM CC1(C)C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824788611 607821380 /nfs/dbraw/zinc/82/13/80/607821380.db2.gz BQEPWTNTELYYMQ-SNVBAGLBSA-N -1 3 369.385 2.693 20 5 FFBDHM CC1(C)C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824788611 607821381 /nfs/dbraw/zinc/82/13/81/607821381.db2.gz BQEPWTNTELYYMQ-SNVBAGLBSA-N -1 3 369.385 2.693 20 5 FFBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826498859 607864187 /nfs/dbraw/zinc/86/41/87/607864187.db2.gz MLMGUNLIJKABAV-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826498859 607864188 /nfs/dbraw/zinc/86/41/88/607864188.db2.gz MLMGUNLIJKABAV-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM C[C@H]1C[C@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884529 608195500 /nfs/dbraw/zinc/19/55/00/608195500.db2.gz OCJRNJZWUOZBDN-WDEREUQCSA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@H]1C[C@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824884529 608195501 /nfs/dbraw/zinc/19/55/01/608195501.db2.gz OCJRNJZWUOZBDN-WDEREUQCSA-N -1 3 369.385 2.550 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826497473 608238454 /nfs/dbraw/zinc/23/84/54/608238454.db2.gz ITCNIUFMGRMPAF-RHSMWYFYSA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000826497473 608238456 /nfs/dbraw/zinc/23/84/56/608238456.db2.gz ITCNIUFMGRMPAF-RHSMWYFYSA-N -1 3 366.381 2.965 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826400836 608437142 /nfs/dbraw/zinc/43/71/42/608437142.db2.gz JMPQBXNXSMFVIP-RMKNXTFCSA-N -1 3 369.312 2.671 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826400836 608437145 /nfs/dbraw/zinc/43/71/45/608437145.db2.gz JMPQBXNXSMFVIP-RMKNXTFCSA-N -1 3 369.312 2.671 20 5 FFBDHM COCC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000826155056 609322688 /nfs/dbraw/zinc/32/26/88/609322688.db2.gz FATYYPLUYHJFPU-ZDUSSCGKSA-N -1 3 358.358 2.866 20 5 FFBDHM COCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000826155056 609322690 /nfs/dbraw/zinc/32/26/90/609322690.db2.gz FATYYPLUYHJFPU-ZDUSSCGKSA-N -1 3 358.358 2.866 20 5 FFBDHM CC(=CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823944109 609501601 /nfs/dbraw/zinc/50/16/01/609501601.db2.gz XSINCVIHMZEKKC-QXMHVHEDSA-N -1 3 364.365 2.841 20 5 FFBDHM CC(=CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823944109 609501603 /nfs/dbraw/zinc/50/16/03/609501603.db2.gz XSINCVIHMZEKKC-QXMHVHEDSA-N -1 3 364.365 2.841 20 5 FFBDHM Cc1c(Cl)cnc(NCCNc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000826240342 609522817 /nfs/dbraw/zinc/52/28/17/609522817.db2.gz NWYHCWZCUFGXQM-UHFFFAOYSA-N -1 3 374.792 2.656 20 5 FFBDHM Cc1c(Cl)cnc(NCCNc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826240342 609522819 /nfs/dbraw/zinc/52/28/19/609522819.db2.gz NWYHCWZCUFGXQM-UHFFFAOYSA-N -1 3 374.792 2.656 20 5 FFBDHM Cc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)nn1[C@@H](C)C1CC1 ZINC000826271559 609587790 /nfs/dbraw/zinc/58/77/90/609587790.db2.gz XCNSYMYFLXWQAT-JTQLQIEISA-N -1 3 354.374 2.994 20 5 FFBDHM Cc1cc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)nn1[C@@H](C)C1CC1 ZINC000826271559 609587791 /nfs/dbraw/zinc/58/77/91/609587791.db2.gz XCNSYMYFLXWQAT-JTQLQIEISA-N -1 3 354.374 2.994 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826423467 609617623 /nfs/dbraw/zinc/61/76/23/609617623.db2.gz QFIBRSYRZBXLKF-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826423467 609617624 /nfs/dbraw/zinc/61/76/24/609617624.db2.gz QFIBRSYRZBXLKF-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Nc1ccc(N2CCSCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000743504924 735302366 /nfs/dbraw/zinc/30/23/66/735302366.db2.gz MLXBERGCPAABKO-UHFFFAOYSA-N -1 3 360.395 2.501 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1[N+](=O)[O-] ZINC000121390153 728625992 /nfs/dbraw/zinc/62/59/92/728625992.db2.gz BVZCDRTUALVXGI-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000132391682 728724425 /nfs/dbraw/zinc/72/44/25/728724425.db2.gz MINXZKYCAVALGK-VIFPVBQESA-N -1 3 359.404 2.847 20 5 FFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000172356785 729024110 /nfs/dbraw/zinc/02/41/10/729024110.db2.gz TWISGIQWBSPINC-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM C[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC000858780623 730433626 /nfs/dbraw/zinc/43/36/26/730433626.db2.gz RJQZKVMYJNVHTJ-QWRGUYRKSA-N -1 3 352.391 2.895 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1ccco1 ZINC000779950131 738501290 /nfs/dbraw/zinc/50/12/90/738501290.db2.gz IAIRODNFYCNIES-GFCCVEGCSA-N -1 3 372.374 2.691 20 5 FFBDHM O=C([N-]Cc1nc2c(s1)COCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000885976191 733736298 /nfs/dbraw/zinc/73/62/98/733736298.db2.gz KRKOUCHROFOOKM-UHFFFAOYSA-N -1 3 369.349 2.532 20 5 FFBDHM Cc1cscc1[N-]C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000749149760 735698422 /nfs/dbraw/zinc/69/84/22/735698422.db2.gz ABQITPBKGLGQQT-UHFFFAOYSA-N -1 3 365.323 2.896 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)n1 ZINC000760325735 736629915 /nfs/dbraw/zinc/62/99/15/736629915.db2.gz SGAYVWNMKYGTTC-UHFFFAOYSA-N -1 3 357.775 2.761 20 5 FFBDHM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000917923671 737784616 /nfs/dbraw/zinc/78/46/16/737784616.db2.gz OIUHOFGMFBTEIR-NSHDSACASA-N -1 3 370.814 2.994 20 5 FFBDHM Cc1cc2c(cc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F)OCO2 ZINC000800050901 740478640 /nfs/dbraw/zinc/47/86/40/740478640.db2.gz CMYKFWFXFAALJI-UHFFFAOYSA-N -1 3 368.342 2.880 20 5 FFBDHM Cn1cccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822283 741348624 /nfs/dbraw/zinc/34/86/24/741348624.db2.gz GOORETIATCRMKW-UHFFFAOYSA-N -1 3 364.210 2.719 20 5 FFBDHM CC(C)(CCC(=O)[N-]OCc1ccc(F)cc1Br)[N+](=O)[O-] ZINC000829748416 745254222 /nfs/dbraw/zinc/25/42/22/745254222.db2.gz MNFUVTCWSJUZBC-UHFFFAOYSA-N -1 3 363.183 2.972 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000849459961 749164305 /nfs/dbraw/zinc/16/43/05/749164305.db2.gz BNSLMXAQXUSGMU-LLVKDONJSA-N -1 3 354.762 2.880 20 5 FFBDHM CC(C)(C)OC(=O)N1CC=C(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853485963 750072404 /nfs/dbraw/zinc/07/24/04/750072404.db2.gz SFQPWGZPMKYMCC-UHFFFAOYSA-N -1 3 350.375 2.675 20 5 FFBDHM CC(C)(C)OC(=O)N1CC2CC1(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000853948560 750207935 /nfs/dbraw/zinc/20/79/35/750207935.db2.gz VHYRZVUJOYRKIH-UHFFFAOYSA-N -1 3 350.375 2.507 20 5 FFBDHM O=C(Cc1ccc(Cl)cn1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000493344568 845921740 /nfs/dbraw/zinc/92/17/40/845921740.db2.gz PWFAVJZURLTSJH-UHFFFAOYSA-N -1 3 357.757 2.636 20 5 FFBDHM C[C@@H]1COc2ccccc2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825012998 947045649 /nfs/dbraw/zinc/04/56/49/947045649.db2.gz NAWNXLVSWGXNRL-LLVKDONJSA-N -1 3 352.354 2.562 20 5 FFBDHM C[C@@H]1COc2ccccc2CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825012998 947045657 /nfs/dbraw/zinc/04/56/57/947045657.db2.gz NAWNXLVSWGXNRL-LLVKDONJSA-N -1 3 352.354 2.562 20 5 FFBDHM COc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826209978 947614104 /nfs/dbraw/zinc/61/41/04/947614104.db2.gz ZAFLDFVKGUFPOI-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826209978 947614108 /nfs/dbraw/zinc/61/41/08/947614108.db2.gz ZAFLDFVKGUFPOI-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000826253373 947729680 /nfs/dbraw/zinc/72/96/80/947729680.db2.gz NMTASWFKLGBSOY-WTKPLQERSA-N -1 3 365.349 2.840 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000826253373 947729688 /nfs/dbraw/zinc/72/96/88/947729688.db2.gz NMTASWFKLGBSOY-WTKPLQERSA-N -1 3 365.349 2.840 20 5 FFBDHM O=C(C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccco1 ZINC000826404801 948233425 /nfs/dbraw/zinc/23/34/25/948233425.db2.gz LVAFIJODRNHBSW-LBPRGKRZSA-N -1 3 368.353 2.610 20 5 FFBDHM O=C(C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccco1 ZINC000826404801 948233434 /nfs/dbraw/zinc/23/34/34/948233434.db2.gz LVAFIJODRNHBSW-LBPRGKRZSA-N -1 3 368.353 2.610 20 5 FFBDHM C[C@H]1CCCC[C@@H]1OCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576166697 949589782 /nfs/dbraw/zinc/58/97/82/949589782.db2.gz NRFJIYBGAPEQOH-BONVTDFDSA-N -1 3 364.381 2.921 20 5 FFBDHM C[C@H]1CCCC[C@@H]1OCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576166697 949589797 /nfs/dbraw/zinc/58/97/97/949589797.db2.gz NRFJIYBGAPEQOH-BONVTDFDSA-N -1 3 364.381 2.921 20 5 FFBDHM COc1c([O-])ccc(CN2C[C@@H](C)C(=O)N(C)c3ccccc32)c1[N+](=O)[O-] ZINC000894521558 965439057 /nfs/dbraw/zinc/43/90/57/965439057.db2.gz QDDABKZJXRAZIZ-GFCCVEGCSA-N -1 3 371.393 2.928 20 5 FFBDHM CC[C@@H](CC(F)(F)F)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595042431 979234205 /nfs/dbraw/zinc/23/42/05/979234205.db2.gz LWERLKGYROLAMP-JTQLQIEISA-N -1 3 350.293 2.879 20 5 FFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000026496793 982464943 /nfs/dbraw/zinc/46/49/43/982464943.db2.gz CPRRYTNGZMKVDA-UHFFFAOYSA-N -1 3 363.257 2.681 20 5 FFBDHM COc1cccc(-n2cc(C(=O)[N-]c3c(C)c([N+](=O)[O-])ccc3F)nn2)c1 ZINC001128410350 987805686 /nfs/dbraw/zinc/80/56/86/987805686.db2.gz VFXHKQKXQREFPM-UHFFFAOYSA-N -1 3 371.328 2.884 20 5 FFBDHM Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000125849871 989015796 /nfs/dbraw/zinc/01/57/96/989015796.db2.gz IAMJRQPNYNSTPZ-UHFFFAOYSA-N -1 3 357.410 2.813 20 5 FFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCCc2c(=O)[n-]cnc21 ZINC001132783702 995128528 /nfs/dbraw/zinc/12/85/28/995128528.db2.gz RDQBZDAEMFFFSB-UHFFFAOYSA-N -1 3 362.773 2.656 20 5 FFBDHM COC(=O)c1cc(CN(C)CCc2ccccc2[N+](=O)[O-])cc(C(=O)[O-])c1 ZINC001598929525 997719287 /nfs/dbraw/zinc/71/92/87/997719287.db2.gz OFNORRWVMAGGKE-UHFFFAOYSA-N -1 3 372.377 2.754 20 5 FFBDHM COC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1[O-] ZINC000745652580 999924280 /nfs/dbraw/zinc/92/42/80/999924280.db2.gz KBGNLEKGDGGZKZ-UHFFFAOYSA-N -1 3 374.305 2.518 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])s1 ZINC001195286170 1004933096 /nfs/dbraw/zinc/93/30/96/1004933096.db2.gz JOSSYJMUFDCSFL-JTQLQIEISA-N -1 3 362.473 2.837 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2nc(Br)cn3ccnc23)c1 ZINC001199802645 1005031662 /nfs/dbraw/zinc/03/16/62/1005031662.db2.gz WGKDAPNNVNOUCS-UHFFFAOYSA-N -1 3 350.132 2.849 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CCN(C4COC4)CC3)cc2)c1 ZINC001201229201 1005181009 /nfs/dbraw/zinc/18/10/09/1005181009.db2.gz HJYWYSOXEGEVFM-UHFFFAOYSA-N -1 3 370.409 2.565 20 5 FFBDHM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187764253 1006239339 /nfs/dbraw/zinc/23/93/39/1006239339.db2.gz VUMQQGLJVZBELN-UHFFFAOYSA-N -1 3 373.298 2.754 20 5 FFBDHM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187764253 1006239344 /nfs/dbraw/zinc/23/93/44/1006239344.db2.gz VUMQQGLJVZBELN-UHFFFAOYSA-N -1 3 373.298 2.754 20 5 FFBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001187874983 1006303207 /nfs/dbraw/zinc/30/32/07/1006303207.db2.gz KJGZAYLWJGRNCW-WCQYABFASA-N -1 3 362.448 2.995 20 5 FFBDHM CSc1cc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)ccn1 ZINC001188672497 1006688657 /nfs/dbraw/zinc/68/86/57/1006688657.db2.gz MUPXPVDFSHDYQI-UHFFFAOYSA-N -1 3 371.415 2.638 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c([N+](=O)[O-])s1 ZINC001189307508 1007012331 /nfs/dbraw/zinc/01/23/31/1007012331.db2.gz GYZLEXTUIXZJEZ-UHFFFAOYSA-N -1 3 362.379 2.764 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC001136144676 1007920948 /nfs/dbraw/zinc/92/09/48/1007920948.db2.gz CSDXUVSODGYGLQ-UHFFFAOYSA-N -1 3 363.395 2.835 20 5 FFBDHM Cc1cc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)cnc1C ZINC001212838432 1009483696 /nfs/dbraw/zinc/48/36/96/1009483696.db2.gz QBOAGEQFFWMVNI-UHFFFAOYSA-N -1 3 365.147 2.809 20 5 FFBDHM Cc1cc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)cnc1C ZINC001212838432 1009483704 /nfs/dbraw/zinc/48/37/04/1009483704.db2.gz QBOAGEQFFWMVNI-UHFFFAOYSA-N -1 3 365.147 2.809 20 5 FFBDHM COc1cc(F)c(-c2noc(-c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)cc1F ZINC001212844479 1009557424 /nfs/dbraw/zinc/55/74/24/1009557424.db2.gz WGLAUWCSUFGJNT-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM Cn1c(-c2cc([N+](=O)[O-])c[n-]c2=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 ZINC001122989044 1023586131 /nfs/dbraw/zinc/58/61/31/1023586131.db2.gz HXHIALSJTSBSPN-RYUDHWBXSA-N -1 3 358.402 2.507 20 5 FFBDHM CCN1CCc2ccc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)cc21 ZINC001212937335 1027443890 /nfs/dbraw/zinc/44/38/90/1027443890.db2.gz ZFLVQSILQFUPTF-UHFFFAOYSA-N -1 3 353.338 2.795 20 5 FFBDHM O=C1CCCc2ccc(-c3noc(-c4cc([N+](=O)[O-])c[n-]c4=O)n3)cc21 ZINC001212937338 1027443998 /nfs/dbraw/zinc/44/39/98/1027443998.db2.gz ZMUCNYDSLOSIJP-UHFFFAOYSA-N -1 3 352.306 2.931 20 5 FFBDHM CCOC(=O)c1cccc([N+](=O)[O-])c1[N-][C@@H](C(=O)OC)c1ccc(O)cc1 ZINC001163499393 1028947344 /nfs/dbraw/zinc/94/73/44/1028947344.db2.gz GBGNRDSHXBWGDT-OAHLLOKOSA-N -1 3 374.349 2.803 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(c1ncnc3c(Cl)cc([N+](=O)[O-])cc31)C2 ZINC001163851959 1029089536 /nfs/dbraw/zinc/08/95/36/1029089536.db2.gz IIMLMTFDMBWBPI-UHFFFAOYSA-N -1 3 358.745 2.516 20 5 FFBDHM O=C(Nc1cc(Br)ccc1[O-])c1[nH]nc([N+](=O)[O-])c1Cl ZINC001138017171 1033565665 /nfs/dbraw/zinc/56/56/65/1033565665.db2.gz AEIVQXLGQXQECY-UHFFFAOYSA-N -1 3 361.539 2.692 20 5 FFBDHM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C2 ZINC001225667661 1034358744 /nfs/dbraw/zinc/35/87/44/1034358744.db2.gz VWEZUJQBEDQIMW-NSHDSACASA-N -1 3 365.386 2.864 20 5 FFBDHM Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCN(C)C3)c([N+](=O)[O-])c2)cc1 ZINC001227699598 1035684461 /nfs/dbraw/zinc/68/44/61/1035684461.db2.gz IGRDPIYXOYOFDP-OAHLLOKOSA-N -1 3 356.378 2.923 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228684913 1036255159 /nfs/dbraw/zinc/25/51/59/1036255159.db2.gz BEMTZWVKWHDQNP-SNVBAGLBSA-N -1 3 353.375 2.638 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1[N+](=O)[O-] ZINC001228688292 1036259982 /nfs/dbraw/zinc/25/99/82/1036259982.db2.gz GUXPYKPTJSHQCS-SDDRHHMPSA-N -1 3 365.386 2.638 20 5 FFBDHM C[C@H](Oc1n[n-]c(-c2ccncc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228697138 1036267857 /nfs/dbraw/zinc/26/78/57/1036267857.db2.gz IGWDSEVDXVRLGJ-VIFPVBQESA-N -1 3 355.310 2.644 20 5 FFBDHM Cc1nc(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)c(C)c(=O)[n-]1 ZINC001229692992 1036835009 /nfs/dbraw/zinc/83/50/09/1036835009.db2.gz WUARDBBGACTTEW-UHFFFAOYSA-N -1 3 362.361 2.894 20 5 FFBDHM CN1[C@@H]2C[C@H](Oc3ccc4c(c3)oc(=O)c3cc([O-])ccc43)[C@H]1CC(=O)C2 ZINC001229798144 1036904482 /nfs/dbraw/zinc/90/44/82/1036904482.db2.gz SFHYZLGGJXSLGT-WLJAHRKQSA-N -1 3 365.385 2.835 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)c(F)cc1[N+](=O)[O-] ZINC001209891113 1039278587 /nfs/dbraw/zinc/27/85/87/1039278587.db2.gz OCGDHGLUWILHDU-OAHLLOKOSA-N -1 3 362.423 2.508 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])s1 ZINC001309706669 1043489855 /nfs/dbraw/zinc/48/98/55/1043489855.db2.gz SWNRQWWLTLHAEY-NSHDSACASA-N -1 3 368.436 2.555 20 5 FFBDHM Cc1ccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001310096615 1043636405 /nfs/dbraw/zinc/63/64/05/1043636405.db2.gz JOUDDZZHCUFFGF-ZETCQYMHSA-N -1 3 358.280 2.923 20 5 FFBDHM Cc1nc[n-]c(=O)c1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001334626494 1049498926 /nfs/dbraw/zinc/49/89/26/1049498926.db2.gz MSCGQLBKPIVBEV-UHFFFAOYSA-N -1 3 356.382 2.523 20 5 FFBDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298306953 1050412317 /nfs/dbraw/zinc/41/23/17/1050412317.db2.gz UJEILUWFXPOCJQ-UHFFFAOYSA-N -1 3 351.322 2.770 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c([N+](=O)[O-])s1 ZINC001309203027 1052573711 /nfs/dbraw/zinc/57/37/11/1052573711.db2.gz ZAHOPZXSVRFQEY-QWHCGFSZSA-N -1 3 352.437 2.874 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC001546092418 1060410925 /nfs/dbraw/zinc/41/09/25/1060410925.db2.gz ZBRNIIJHGBPDSM-UHFFFAOYSA-N -1 3 357.391 2.660 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])s1 ZINC001475136759 1060961457 /nfs/dbraw/zinc/96/14/57/1060961457.db2.gz WMGPWZMJSPPXOS-NWDGAFQWSA-N -1 3 362.473 2.837 20 5 FFBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1nccc2cccnc21 ZINC001472504286 1065083075 /nfs/dbraw/zinc/08/30/75/1065083075.db2.gz ZWOUWDOMHJHBIX-UHFFFAOYSA-N -1 3 361.321 2.575 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ncc([N+](=O)[O-])c4ccccc43)C2)n1 ZINC001472877326 1065164302 /nfs/dbraw/zinc/16/43/02/1065164302.db2.gz MMSYOUXDSNKTMG-LBPRGKRZSA-N -1 3 366.381 2.638 20 5 FFBDHM CCC1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001577126505 1078306877 /nfs/dbraw/zinc/30/68/77/1078306877.db2.gz KUFRLIHBWSDUQF-UHFFFAOYSA-N -1 3 350.382 2.943 20 5 FFBDHM CCC1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001577126505 1078306886 /nfs/dbraw/zinc/30/68/86/1078306886.db2.gz KUFRLIHBWSDUQF-UHFFFAOYSA-N -1 3 350.382 2.943 20 5 FFBDHM COc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1SC ZINC001580046373 1078738245 /nfs/dbraw/zinc/73/82/45/1078738245.db2.gz JSEYTVYOJOTJES-UHFFFAOYSA-N -1 3 373.398 2.831 20 5 FFBDHM COc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1SC ZINC001580046373 1078738248 /nfs/dbraw/zinc/73/82/48/1078738248.db2.gz JSEYTVYOJOTJES-UHFFFAOYSA-N -1 3 373.398 2.831 20 5 FFBDHM Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC001581207555 1078937097 /nfs/dbraw/zinc/93/70/97/1078937097.db2.gz QRUGOFDXOBGRNZ-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001581207555 1078937105 /nfs/dbraw/zinc/93/71/05/1078937105.db2.gz QRUGOFDXOBGRNZ-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(N)c1[N+](=O)[O-] ZINC001581207855 1078937677 /nfs/dbraw/zinc/93/76/77/1078937677.db2.gz ZIRPYGIRFOCTOA-UHFFFAOYSA-N -1 3 373.760 2.571 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(N)c1[N+](=O)[O-] ZINC001581207855 1078937681 /nfs/dbraw/zinc/93/76/81/1078937681.db2.gz ZIRPYGIRFOCTOA-UHFFFAOYSA-N -1 3 373.760 2.571 20 5 FFBDHM Cn1c(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)ccc1-c1nnn[n-]1 ZINC001581751569 1078997357 /nfs/dbraw/zinc/99/73/57/1078997357.db2.gz CCSWVOXQVWMQJC-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM Cn1c(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)ccc1-c1nn[n-]n1 ZINC001581751569 1078997361 /nfs/dbraw/zinc/99/73/61/1078997361.db2.gz CCSWVOXQVWMQJC-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(CSc2ccncc2-c2nnn[n-]2)c(F)c1 ZINC001582803638 1079109923 /nfs/dbraw/zinc/10/99/23/1079109923.db2.gz OWIOUBWXDHGXOH-UHFFFAOYSA-N -1 3 350.310 2.740 20 5 FFBDHM O=[N+]([O-])c1cc(F)c(CSc2ccncc2-c2nn[n-]n2)c(F)c1 ZINC001582803638 1079109926 /nfs/dbraw/zinc/10/99/26/1079109926.db2.gz OWIOUBWXDHGXOH-UHFFFAOYSA-N -1 3 350.310 2.740 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001582803978 1079110532 /nfs/dbraw/zinc/11/05/32/1079110532.db2.gz YKABFLVRLSWFSL-ZBFHGGJFSA-N -1 3 358.308 2.963 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@@H]1C[C@]1(F)c1ccccc1 ZINC001582803978 1079110539 /nfs/dbraw/zinc/11/05/39/1079110539.db2.gz YKABFLVRLSWFSL-ZBFHGGJFSA-N -1 3 358.308 2.963 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c([N+](=O)[O-])s1 ZINC001561578855 1076394385 /nfs/dbraw/zinc/39/43/85/1076394385.db2.gz GCGPCXYLVWYLNN-UHFFFAOYSA-N -1 3 355.441 2.616 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC001561746391 1076416437 /nfs/dbraw/zinc/41/64/37/1076416437.db2.gz YJQGYNCFCCCWNG-SNVBAGLBSA-N -1 3 355.803 2.725 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC001561746390 1076416496 /nfs/dbraw/zinc/41/64/96/1076416496.db2.gz YJQGYNCFCCCWNG-JTQLQIEISA-N -1 3 355.803 2.725 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[n-]n1 ZINC001567160145 1077003336 /nfs/dbraw/zinc/00/33/36/1077003336.db2.gz MDCZIOVLENLDML-UHFFFAOYSA-N -1 3 356.697 2.539 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n[n-]1 ZINC001567160145 1077003341 /nfs/dbraw/zinc/00/33/41/1077003341.db2.gz MDCZIOVLENLDML-UHFFFAOYSA-N -1 3 356.697 2.539 20 5 FFBDHM CC(=O)N(C)c1ccc(Nc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC001588800301 1080201371 /nfs/dbraw/zinc/20/13/71/1080201371.db2.gz IQEKKMSJUBIUGS-UHFFFAOYSA-N -1 3 353.342 2.501 20 5 FFBDHM CC(=O)c1ccc(F)cc1OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588915399 1080261784 /nfs/dbraw/zinc/26/17/84/1080261784.db2.gz AMSHBHFAGRNSAG-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(F)cc1OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588915399 1080261793 /nfs/dbraw/zinc/26/17/93/1080261793.db2.gz AMSHBHFAGRNSAG-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(C)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001588917503 1080263216 /nfs/dbraw/zinc/26/32/16/1080263216.db2.gz NHDUHCOSIBPLMA-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(C)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001588917503 1080263223 /nfs/dbraw/zinc/26/32/23/1080263223.db2.gz NHDUHCOSIBPLMA-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001588942518 1080276289 /nfs/dbraw/zinc/27/62/89/1080276289.db2.gz BJIYXASBCQUBIN-SNVBAGLBSA-N -1 3 370.344 2.681 20 5 FFBDHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001588942518 1080276295 /nfs/dbraw/zinc/27/62/95/1080276295.db2.gz BJIYXASBCQUBIN-SNVBAGLBSA-N -1 3 370.344 2.681 20 5 FFBDHM CC(C)c1nc(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cs1 ZINC001589775610 1080730819 /nfs/dbraw/zinc/73/08/19/1080730819.db2.gz DUZJEQCIRCZJTQ-UHFFFAOYSA-N -1 3 374.382 2.712 20 5 FFBDHM CC(C)c1nc(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cs1 ZINC001589775610 1080730826 /nfs/dbraw/zinc/73/08/26/1080730826.db2.gz DUZJEQCIRCZJTQ-UHFFFAOYSA-N -1 3 374.382 2.712 20 5 FFBDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC001589894306 1080840061 /nfs/dbraw/zinc/84/00/61/1080840061.db2.gz KIGRKYACHRPHMM-JTQLQIEISA-N -1 3 373.394 2.758 20 5 FFBDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC001589894306 1080840066 /nfs/dbraw/zinc/84/00/66/1080840066.db2.gz KIGRKYACHRPHMM-JTQLQIEISA-N -1 3 373.394 2.758 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001589935865 1080879721 /nfs/dbraw/zinc/87/97/21/1080879721.db2.gz AAGKVSXBRYCCBR-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001589935865 1080879726 /nfs/dbraw/zinc/87/97/26/1080879726.db2.gz AAGKVSXBRYCCBR-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001589978649 1080917526 /nfs/dbraw/zinc/91/75/26/1080917526.db2.gz WIVGNWCGBXIIIT-SECBINFHSA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001589978649 1080917528 /nfs/dbraw/zinc/91/75/28/1080917528.db2.gz WIVGNWCGBXIIIT-SECBINFHSA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@@H]1CCCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590256056 1081127038 /nfs/dbraw/zinc/12/70/38/1081127038.db2.gz ZNNVREDAIIDZSA-LLVKDONJSA-N -1 3 353.386 2.950 20 5 FFBDHM C[C@@H]1CCCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590256056 1081127041 /nfs/dbraw/zinc/12/70/41/1081127041.db2.gz ZNNVREDAIIDZSA-LLVKDONJSA-N -1 3 353.386 2.950 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(-n2cccn2)cc1 ZINC000056056520 211958220 /nfs/dbraw/zinc/95/82/20/211958220.db2.gz DVIQQQZTCGILIR-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000104759542 250185547 /nfs/dbraw/zinc/18/55/47/250185547.db2.gz IKFYTGJBVUWJEW-NSHDSACASA-N -1 3 371.440 2.798 20 5 FFBDHM C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272677368 252097195 /nfs/dbraw/zinc/09/71/95/252097195.db2.gz MLWPHGYPEXNQPQ-ZDUSSCGKSA-N -1 3 370.409 2.651 20 5 FFBDHM Cc1nc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)ccc1[C@@H](C)O ZINC000273008380 252189151 /nfs/dbraw/zinc/18/91/51/252189151.db2.gz PQSXARYCMUDYAW-LLVKDONJSA-N -1 3 365.336 2.760 20 5 FFBDHM CC(=O)N(C)c1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302132778 258089930 /nfs/dbraw/zinc/08/99/30/258089930.db2.gz CICNDPQBEAFEJT-UHFFFAOYSA-N -1 3 369.424 2.786 20 5 FFBDHM C[C@@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000312281937 258115461 /nfs/dbraw/zinc/11/54/61/258115461.db2.gz KDFAVOXBFLPCGP-FQEVSTJZSA-N -1 3 369.421 2.942 20 5 FFBDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000330626733 258166835 /nfs/dbraw/zinc/16/68/35/258166835.db2.gz JJANCMPCHLTNRE-DGCLKSJQSA-N -1 3 362.835 2.730 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000409925763 512168614 /nfs/dbraw/zinc/16/86/14/512168614.db2.gz FMKBNPDRAPLDRK-LBPRGKRZSA-N -1 3 360.457 2.592 20 5 FFBDHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000410318147 512238956 /nfs/dbraw/zinc/23/89/56/512238956.db2.gz OIRXYORYXMTARH-UHFFFAOYSA-N -1 3 361.379 2.565 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000067433837 506878789 /nfs/dbraw/zinc/87/87/89/506878789.db2.gz ZXBUUARLNSVVEH-KGLIPLIRSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1c(F)cccc1F ZINC000056105424 506935806 /nfs/dbraw/zinc/93/58/06/506935806.db2.gz QPLMOGATJOJBLV-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000047206593 507284296 /nfs/dbraw/zinc/28/42/96/507284296.db2.gz JEWLNWGAWCFVOX-UHFFFAOYSA-N -1 3 357.351 2.769 20 5 FFBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000068940192 507366287 /nfs/dbraw/zinc/36/62/87/507366287.db2.gz DLEXWSFUXBHIPH-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000025374973 507495254 /nfs/dbraw/zinc/49/52/54/507495254.db2.gz JPMPOSRASYVFPM-ZJUUUORDSA-N -1 3 352.334 2.994 20 5 FFBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccccc1Br ZINC000048445367 507524277 /nfs/dbraw/zinc/52/42/77/507524277.db2.gz MOXLQOSVSNFFCV-UHFFFAOYSA-N -1 3 371.212 2.836 20 5 FFBDHM Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060507291 507554307 /nfs/dbraw/zinc/55/43/07/507554307.db2.gz UMVMZIARYRBDEH-UHFFFAOYSA-N -1 3 364.423 2.877 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000026844769 507614128 /nfs/dbraw/zinc/61/41/28/507614128.db2.gz QXNXMLYJOTUKOR-UHFFFAOYSA-N -1 3 364.423 2.860 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028020626 507702492 /nfs/dbraw/zinc/70/24/92/507702492.db2.gz YQHAOIUJDDCHRX-UHFFFAOYSA-N -1 3 369.786 2.872 20 5 FFBDHM Cc1nn(C)c(Sc2n[n-]c(-c3cc(F)cc(F)c3)n2)c1[N+](=O)[O-] ZINC000078381386 507866995 /nfs/dbraw/zinc/86/69/95/507866995.db2.gz LXZSAYNOQLYRML-UHFFFAOYSA-N -1 3 352.326 2.851 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000076190675 508167992 /nfs/dbraw/zinc/16/79/92/508167992.db2.gz PNRXRXDHYYGRBI-OAHLLOKOSA-N -1 3 350.396 2.569 20 5 FFBDHM CCc1cccc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000081784454 508211252 /nfs/dbraw/zinc/21/12/52/508211252.db2.gz GKYBJZLCKLQMHB-CYBMUJFWSA-N -1 3 356.382 2.584 20 5 FFBDHM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000103161270 508300239 /nfs/dbraw/zinc/30/02/39/508300239.db2.gz OGUMDRHCIFPDOV-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM CN(C)c1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000133530245 508411858 /nfs/dbraw/zinc/41/18/58/508411858.db2.gz OOAPFWBFJVIOQX-UHFFFAOYSA-N -1 3 369.830 2.793 20 5 FFBDHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152326354 508424962 /nfs/dbraw/zinc/42/49/62/508424962.db2.gz MWHOAPQYFJFZAE-SNVBAGLBSA-N -1 3 354.409 2.596 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000127305859 508429758 /nfs/dbraw/zinc/42/97/58/508429758.db2.gz NHDCEUICAGWPRZ-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000121990190 508462874 /nfs/dbraw/zinc/46/28/74/508462874.db2.gz UEDJUQLFSNVCOE-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c(F)c1 ZINC000134649985 508555462 /nfs/dbraw/zinc/55/54/62/508555462.db2.gz NACSKDIQMMAXME-NSHDSACASA-N -1 3 358.391 2.504 20 5 FFBDHM O=C(Nc1cccnc1OCC(F)F)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000128782375 508643094 /nfs/dbraw/zinc/64/30/94/508643094.db2.gz KRXDSSWYDBCSGG-UHFFFAOYSA-N -1 3 363.280 2.762 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000123387466 508678574 /nfs/dbraw/zinc/67/85/74/508678574.db2.gz WYLHOPZJPNEOEG-UHFFFAOYSA-N -1 3 363.420 2.991 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000123545427 508703357 /nfs/dbraw/zinc/70/33/57/508703357.db2.gz FJGIQDSHPHJVFD-LBPRGKRZSA-N -1 3 356.425 2.631 20 5 FFBDHM O=C([N-]c1ncc(Cc2ccc(F)cc2F)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000119077448 508720203 /nfs/dbraw/zinc/72/02/03/508720203.db2.gz LHWZYBUBSCDNTP-UHFFFAOYSA-N -1 3 365.321 2.896 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccco2)c(C(F)(F)F)c1 ZINC000119288883 508765587 /nfs/dbraw/zinc/76/55/87/508765587.db2.gz ZCVOQNQFOFVMSM-UHFFFAOYSA-N -1 3 364.301 2.728 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1c(C)noc1C ZINC000119325798 508773787 /nfs/dbraw/zinc/77/37/87/508773787.db2.gz FVKMHNSIQGFBIY-GFCCVEGCSA-N -1 3 369.399 2.638 20 5 FFBDHM Cc1cc(F)cc2c(=O)c(C(=O)NCCc3cccc([N+](=O)[O-])c3)c[n-]c12 ZINC000119957038 508897471 /nfs/dbraw/zinc/89/74/71/508897471.db2.gz GSTDCHXMILEZSH-UHFFFAOYSA-N -1 3 369.352 2.856 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)c1C ZINC000155040592 508909768 /nfs/dbraw/zinc/90/97/68/508909768.db2.gz ACWSZKBJPRYMFB-HNNXBMFYSA-N -1 3 358.460 2.533 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000125749754 509025406 /nfs/dbraw/zinc/02/54/06/509025406.db2.gz KIKNXQWCINLEHT-JOYOIKCWSA-N -1 3 368.436 2.808 20 5 FFBDHM CCc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000120693766 509047024 /nfs/dbraw/zinc/04/70/24/509047024.db2.gz WMLKRMBLALXORU-UHFFFAOYSA-N -1 3 352.354 2.513 20 5 FFBDHM CCc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000120693766 509047026 /nfs/dbraw/zinc/04/70/26/509047026.db2.gz WMLKRMBLALXORU-UHFFFAOYSA-N -1 3 352.354 2.513 20 5 FFBDHM CCOc1ncccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126624075 509104085 /nfs/dbraw/zinc/10/40/85/509104085.db2.gz DZHAIIQUYOASJS-UHFFFAOYSA-N -1 3 371.802 2.520 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000126672859 509110925 /nfs/dbraw/zinc/11/09/25/509110925.db2.gz VSBMKURJRUBELH-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000121418072 509172730 /nfs/dbraw/zinc/17/27/30/509172730.db2.gz JVIDUKNALMBEOD-OAHLLOKOSA-N -1 3 364.423 2.695 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000191917033 509246149 /nfs/dbraw/zinc/24/61/49/509246149.db2.gz SKKUUIDRQGJHIJ-OAHLLOKOSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000248510639 509346698 /nfs/dbraw/zinc/34/66/98/509346698.db2.gz AIQMLZOKQPSUPE-RCBQFDQVSA-N -1 3 361.398 2.559 20 5 FFBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000185815424 509368269 /nfs/dbraw/zinc/36/82/69/509368269.db2.gz TUFYPPBYVTXDLC-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1c(C)noc1C ZINC000179315429 509370823 /nfs/dbraw/zinc/37/08/23/509370823.db2.gz GUKVNUJCKOTLBT-ZDUSSCGKSA-N -1 3 353.400 2.938 20 5 FFBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000189164381 509445631 /nfs/dbraw/zinc/44/56/31/509445631.db2.gz KWYQTIHDUDKUKT-GFCCVEGCSA-N -1 3 365.411 2.655 20 5 FFBDHM Cc1nn(-c2ccccc2)cc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186075254 509511206 /nfs/dbraw/zinc/51/12/06/509511206.db2.gz PPDXELJMWWLMPQ-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000186180937 509563730 /nfs/dbraw/zinc/56/37/30/509563730.db2.gz RIGDSCJLWCRVGS-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1ccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000193027204 509740991 /nfs/dbraw/zinc/74/09/91/509740991.db2.gz XJXQDSZNXWERJF-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000170735800 509747387 /nfs/dbraw/zinc/74/73/87/509747387.db2.gz XIAZDEOLAAQTOL-OAHLLOKOSA-N -1 3 350.396 2.569 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000173974111 509881705 /nfs/dbraw/zinc/88/17/05/509881705.db2.gz PXPNPLUYTCDBBM-UHFFFAOYSA-N -1 3 363.395 2.835 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000173980726 509888311 /nfs/dbraw/zinc/88/83/11/509888311.db2.gz LESZBTVESPKCIY-UHFFFAOYSA-N -1 3 355.397 2.589 20 5 FFBDHM COc1ccc(F)cc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000194404300 510346842 /nfs/dbraw/zinc/34/68/42/510346842.db2.gz OXXIUVCPGOREAE-MRVPVSSYSA-N -1 3 360.388 2.844 20 5 FFBDHM Cc1cc([N-]C(=O)COc2ccc(Br)cc2[N+](=O)[O-])on1 ZINC000194607489 510441840 /nfs/dbraw/zinc/44/18/40/510441840.db2.gz CPMAAHJBQJWWIO-UHFFFAOYSA-N -1 3 356.132 2.671 20 5 FFBDHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000181850240 510624774 /nfs/dbraw/zinc/62/47/74/510624774.db2.gz SWGZIQKBOFIZFJ-UHFFFAOYSA-N -1 3 350.824 2.732 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCOC[C@H]2C)c1 ZINC000285569710 510960327 /nfs/dbraw/zinc/96/03/27/510960327.db2.gz KFESPLGVCYTNKR-GHMZBOCLSA-N -1 3 362.835 2.508 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273714896 511584204 /nfs/dbraw/zinc/58/42/04/511584204.db2.gz FWGYVRLCQNSGOK-AWEZNQCLSA-N -1 3 354.384 2.552 20 5 FFBDHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000349796560 511666974 /nfs/dbraw/zinc/66/69/74/511666974.db2.gz OPABLGKOBDWQAM-UHFFFAOYSA-N -1 3 360.351 2.683 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOc1ccc(F)c(F)c1 ZINC000303294176 511733222 /nfs/dbraw/zinc/73/32/22/511733222.db2.gz LMMYISDVVAXTNY-UHFFFAOYSA-N -1 3 372.349 2.539 20 5 FFBDHM COc1cc(OCc2nc(-c3ccc4n[n-]nc4c3)no2)ccc1[N+](=O)[O-] ZINC000350478052 511820543 /nfs/dbraw/zinc/82/05/43/511820543.db2.gz GVTCFADRTRPXQE-UHFFFAOYSA-N -1 3 368.309 2.504 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)CC1 ZINC000327799144 511882418 /nfs/dbraw/zinc/88/24/18/511882418.db2.gz UIEXKJIFJVXIFW-NEPJUHHUSA-N -1 3 370.427 2.629 20 5 FFBDHM CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000383166519 512880823 /nfs/dbraw/zinc/88/08/23/512880823.db2.gz UUCFBXJGSGWHRO-HNNXBMFYSA-N -1 3 370.409 2.646 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)C(C)(C)C ZINC000393021050 512930404 /nfs/dbraw/zinc/93/04/04/512930404.db2.gz RKUANWGVRVBFSI-UHFFFAOYSA-N -1 3 372.443 2.732 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000430001919 513524371 /nfs/dbraw/zinc/52/43/71/513524371.db2.gz TXTAYDVMSFAASX-GXTWGEPZSA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c([N+](=O)[O-])c1 ZINC000435226620 513537847 /nfs/dbraw/zinc/53/78/47/513537847.db2.gz PMBGITJFUSRAJI-BMGDILEWSA-N -1 3 358.419 2.910 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c([O-])c1 ZINC000435803541 513687611 /nfs/dbraw/zinc/68/76/11/513687611.db2.gz HGRPVLKRGNRPJU-UHFFFAOYSA-N -1 3 374.349 2.803 20 5 FFBDHM O=C([N-]c1cc(-c2ccccc2F)on1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000448491024 513767319 /nfs/dbraw/zinc/76/73/19/513767319.db2.gz FIRRHXSXHKFMBO-UHFFFAOYSA-N -1 3 371.280 2.792 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCSC1 ZINC000416477514 513791757 /nfs/dbraw/zinc/79/17/57/513791757.db2.gz UEYBHCUFGUXFAV-QMMMGPOBSA-N -1 3 370.374 2.645 20 5 FFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000451550063 513825830 /nfs/dbraw/zinc/82/58/30/513825830.db2.gz QRSSJHWLZHWWPA-GFCCVEGCSA-N -1 3 358.807 2.647 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)c(F)c1 ZINC000416564619 513836634 /nfs/dbraw/zinc/83/66/34/513836634.db2.gz RRKGULQZRGVPAO-UHFFFAOYSA-N -1 3 352.334 2.836 20 5 FFBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)CC(F)(F)F ZINC000416602938 513861404 /nfs/dbraw/zinc/86/14/04/513861404.db2.gz VBDYDAQOIWHOBW-SECBINFHSA-N -1 3 370.349 2.860 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)c1C ZINC000416628568 513875414 /nfs/dbraw/zinc/87/54/14/513875414.db2.gz GMMSKLOKMATSMP-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000416648983 513887875 /nfs/dbraw/zinc/88/78/75/513887875.db2.gz PFYRUJJPNFTLBX-LLVKDONJSA-N -1 3 350.824 2.588 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)Cc1ccccc1 ZINC000451669083 513901127 /nfs/dbraw/zinc/90/11/27/513901127.db2.gz GTIQLDAPUBJKAP-CYBMUJFWSA-N -1 3 370.452 2.501 20 5 FFBDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OC ZINC000451673443 513903781 /nfs/dbraw/zinc/90/37/81/513903781.db2.gz KSFDYYDGGMSBNI-SKDRFNHKSA-N -1 3 350.824 2.588 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)c1C ZINC000443373595 513953681 /nfs/dbraw/zinc/95/36/81/513953681.db2.gz MWEGCIHIHHUKFF-GFCCVEGCSA-N -1 3 364.423 2.827 20 5 FFBDHM CO[C@@](C)(C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000451823764 514005850 /nfs/dbraw/zinc/00/58/50/514005850.db2.gz KRIWXYMDKCQQLK-KRWDZBQOSA-N -1 3 364.423 2.576 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccccc2SC)cc1[N+](=O)[O-] ZINC000444056628 514110290 /nfs/dbraw/zinc/11/02/90/514110290.db2.gz KDDRNJYJFJZHNK-UHFFFAOYSA-N -1 3 368.436 2.804 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c1[N+](=O)[O-] ZINC000452027173 514143239 /nfs/dbraw/zinc/14/32/39/514143239.db2.gz DMFXTAHSSYTPNB-UHFFFAOYSA-N -1 3 351.384 2.556 20 5 FFBDHM Cc1cccc([O-])c1NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000444336100 514196488 /nfs/dbraw/zinc/19/64/88/514196488.db2.gz AGROZEZLOGFRHU-UHFFFAOYSA-N -1 3 369.333 2.515 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc(C2CCCCC2)no1 ZINC000417326678 514296548 /nfs/dbraw/zinc/29/65/48/514296548.db2.gz KYUWXZCSHGAKFG-UHFFFAOYSA-N -1 3 366.399 2.504 20 5 FFBDHM COc1ccc(-c2ccc(CN[C@H]3C=C[C@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000417628399 514442421 /nfs/dbraw/zinc/44/24/21/514442421.db2.gz WFPCBPYWPQYQRM-RYUDHWBXSA-N -1 3 358.350 2.982 20 5 FFBDHM COC(=O)c1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000439262017 514517420 /nfs/dbraw/zinc/51/74/20/514517420.db2.gz SUSFVVQZQGSBDS-UHFFFAOYSA-N -1 3 359.216 2.641 20 5 FFBDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479815264 514734883 /nfs/dbraw/zinc/73/48/83/514734883.db2.gz DMFDREPYMGXFFE-UHFFFAOYSA-N -1 3 364.671 2.707 20 5 FFBDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479815264 514734888 /nfs/dbraw/zinc/73/48/88/514734888.db2.gz DMFDREPYMGXFFE-UHFFFAOYSA-N -1 3 364.671 2.707 20 5 FFBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000479815264 514734893 /nfs/dbraw/zinc/73/48/93/514734893.db2.gz DMFDREPYMGXFFE-UHFFFAOYSA-N -1 3 364.671 2.707 20 5 FFBDHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000466883977 514813978 /nfs/dbraw/zinc/81/39/78/514813978.db2.gz SXQKFZYHOLXKOV-GXTWGEPZSA-N -1 3 362.835 2.730 20 5 FFBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])nc2c1 ZINC000466909840 514822276 /nfs/dbraw/zinc/82/22/76/514822276.db2.gz AWTLFZHBMLEEDQ-UHFFFAOYSA-N -1 3 360.395 2.566 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000466909840 514822281 /nfs/dbraw/zinc/82/22/81/514822281.db2.gz AWTLFZHBMLEEDQ-UHFFFAOYSA-N -1 3 360.395 2.566 20 5 FFBDHM CC(C)Cc1ncc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000475821561 514823268 /nfs/dbraw/zinc/82/32/68/514823268.db2.gz ZTYABAOTRYUEIK-UHFFFAOYSA-N -1 3 364.427 2.568 20 5 FFBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])nc2c1 ZINC000466914901 514825362 /nfs/dbraw/zinc/82/53/62/514825362.db2.gz CAFGPQPHIVLPJC-UHFFFAOYSA-N -1 3 374.422 2.875 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000466914901 514825370 /nfs/dbraw/zinc/82/53/70/514825370.db2.gz CAFGPQPHIVLPJC-UHFFFAOYSA-N -1 3 374.422 2.875 20 5 FFBDHM Cc1c(Br)cc(S(=O)(=O)[N-]CCCCF)cc1[N+](=O)[O-] ZINC000462111211 514889576 /nfs/dbraw/zinc/88/95/76/514889576.db2.gz IERHKXBTFBGKAK-UHFFFAOYSA-N -1 3 369.212 2.694 20 5 FFBDHM CCCc1csc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000456027948 514911935 /nfs/dbraw/zinc/91/19/35/514911935.db2.gz YZXGIJPBQIBKFV-UHFFFAOYSA-N -1 3 369.424 2.660 20 5 FFBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCC2 ZINC000462309577 514986860 /nfs/dbraw/zinc/98/68/60/514986860.db2.gz BHWBTOLVKOIJOP-KBPBESRZSA-N -1 3 374.846 2.874 20 5 FFBDHM C[C@@H]1CN(c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000485371546 515011684 /nfs/dbraw/zinc/01/16/84/515011684.db2.gz QNGAVOZKAWOXBK-TXEJJXNPSA-N -1 3 372.381 2.561 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc3c2CCCN3)c([N+](=O)[O-])c1 ZINC000489982892 515058221 /nfs/dbraw/zinc/05/82/21/515058221.db2.gz ZHLCXWJBNZOVTD-UHFFFAOYSA-N -1 3 361.423 2.740 20 5 FFBDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc([N+](=O)[O-])cc1F ZINC000476466328 515059201 /nfs/dbraw/zinc/05/92/01/515059201.db2.gz IESJJMVALKUNFV-UHFFFAOYSA-N -1 3 353.331 2.617 20 5 FFBDHM O=C(c1cc(F)cc2[n-]nnc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000503507618 515060634 /nfs/dbraw/zinc/06/06/34/515060634.db2.gz IEZXHRLMLUTTDA-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM O=C(c1cc(F)cc2nn[n-]c21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000503507618 515060639 /nfs/dbraw/zinc/06/06/39/515060639.db2.gz IEZXHRLMLUTTDA-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM O=C(c1cc(F)cc2n[n-]nc21)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000503507618 515060643 /nfs/dbraw/zinc/06/06/43/515060643.db2.gz IEZXHRLMLUTTDA-UHFFFAOYSA-N -1 3 355.329 2.810 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000456326214 515094201 /nfs/dbraw/zinc/09/42/01/515094201.db2.gz GLIKNIOOYBZELR-OAHLLOKOSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cn3c(cccc3C)n2)c1[N+](=O)[O-] ZINC000481009731 515171072 /nfs/dbraw/zinc/17/10/72/515171072.db2.gz GNZOIHFUIGQWPW-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C12CCCC2 ZINC000462660475 515174943 /nfs/dbraw/zinc/17/49/43/515174943.db2.gz RVKVYKLMDQXGFY-HUUCEWRRSA-N -1 3 372.418 2.750 20 5 FFBDHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000462711985 515206151 /nfs/dbraw/zinc/20/61/51/515206151.db2.gz TYHOXDDTFZJQAX-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000490539190 515243144 /nfs/dbraw/zinc/24/31/44/515243144.db2.gz VXCIWSJBCCQWIX-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000477154219 515351653 /nfs/dbraw/zinc/35/16/53/515351653.db2.gz ZIFYEYYMIVJLTF-VXGBXAGGSA-N -1 3 370.427 2.613 20 5 FFBDHM CNc1c(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cccc1[N+](=O)[O-] ZINC000463115502 515373222 /nfs/dbraw/zinc/37/32/22/515373222.db2.gz KLGQDBDEJGIWST-UHFFFAOYSA-N -1 3 374.307 2.952 20 5 FFBDHM CNc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cccc1[N+](=O)[O-] ZINC000463115502 515373232 /nfs/dbraw/zinc/37/32/32/515373232.db2.gz KLGQDBDEJGIWST-UHFFFAOYSA-N -1 3 374.307 2.952 20 5 FFBDHM CNc1c(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cccc1[N+](=O)[O-] ZINC000463115502 515373243 /nfs/dbraw/zinc/37/32/43/515373243.db2.gz KLGQDBDEJGIWST-UHFFFAOYSA-N -1 3 374.307 2.952 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000510504014 515559043 /nfs/dbraw/zinc/55/90/43/515559043.db2.gz WPRCRRZCJAUETB-UHFFFAOYSA-N -1 3 352.334 2.832 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1C ZINC000510507130 515562169 /nfs/dbraw/zinc/56/21/69/515562169.db2.gz DJKCADLAEHEIHY-UHFFFAOYSA-N -1 3 352.334 2.832 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N[C@@H](C1CC1)C(F)(F)F ZINC000459574231 515661541 /nfs/dbraw/zinc/66/15/41/515661541.db2.gz RYVGBEFOLRUIJO-ZDUSSCGKSA-N -1 3 369.303 2.869 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1ccc2n[nH]cc2c1 ZINC000511020194 515748287 /nfs/dbraw/zinc/74/82/87/515748287.db2.gz WUGQEVROMWQDDO-LLVKDONJSA-N -1 3 360.395 2.819 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000473852872 515775943 /nfs/dbraw/zinc/77/59/43/515775943.db2.gz CCYWAGINNJZTBA-KRWDZBQOSA-N -1 3 374.400 2.930 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(CN(C)C)cs2)c1 ZINC000457317547 515805498 /nfs/dbraw/zinc/80/54/98/515805498.db2.gz SGMYANXGKUPTMF-UHFFFAOYSA-N -1 3 350.400 2.764 20 5 FFBDHM COc1ccccc1-c1nc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 ZINC000511220946 515832051 /nfs/dbraw/zinc/83/20/51/515832051.db2.gz IBBBBQYZBLYCEL-UHFFFAOYSA-N -1 3 369.337 2.649 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c(F)c1 ZINC000474311469 515986494 /nfs/dbraw/zinc/98/64/94/515986494.db2.gz ZGFLMVXCYQYDLI-LBPRGKRZSA-N -1 3 372.761 2.799 20 5 FFBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])nn2C)s1 ZINC000469875470 516011439 /nfs/dbraw/zinc/01/14/39/516011439.db2.gz VROXWGBBKZTUKU-UHFFFAOYSA-N -1 3 362.346 2.547 20 5 FFBDHM Cc1cc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)n[nH]1 ZINC000469940831 516039693 /nfs/dbraw/zinc/03/96/93/516039693.db2.gz BMNCVBHYZVGDQR-UHFFFAOYSA-N -1 3 355.310 2.772 20 5 FFBDHM CC(C)(C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000495184353 516094334 /nfs/dbraw/zinc/09/43/34/516094334.db2.gz NYYMTLPHSFTUNB-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM CC(C)(C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000495184353 516094345 /nfs/dbraw/zinc/09/43/45/516094345.db2.gz NYYMTLPHSFTUNB-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM CC(C)(C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000495184353 516094352 /nfs/dbraw/zinc/09/43/52/516094352.db2.gz NYYMTLPHSFTUNB-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc4c(c3)CCO4)cs2)n1 ZINC000495284762 516128220 /nfs/dbraw/zinc/12/82/20/516128220.db2.gz AIDCOVOXLFNUKQ-UHFFFAOYSA-N -1 3 371.378 2.639 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000507285586 516157938 /nfs/dbraw/zinc/15/79/38/516157938.db2.gz ZOYURDYQBZELHV-NSHDSACASA-N -1 3 368.386 2.652 20 5 FFBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000507285925 516158358 /nfs/dbraw/zinc/15/83/58/516158358.db2.gz VVQAYHBELADXFU-CZUORRHYSA-N -1 3 355.394 2.693 20 5 FFBDHM COc1cc(CNc2ccc(C)c(S(C)(=O)=O)c2)c([N+](=O)[O-])cc1[O-] ZINC000512286041 516225897 /nfs/dbraw/zinc/22/58/97/516225897.db2.gz NGZOQJXIQCLLBJ-UHFFFAOYSA-N -1 3 366.395 2.633 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000507532720 516234831 /nfs/dbraw/zinc/23/48/31/516234831.db2.gz QJNHMMHWBYYLQO-LLVKDONJSA-N -1 3 364.379 2.671 20 5 FFBDHM CCc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000522971081 516362908 /nfs/dbraw/zinc/36/29/08/516362908.db2.gz XTHULSVBOQXDRU-UHFFFAOYSA-N -1 3 364.423 2.687 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000557852548 516471135 /nfs/dbraw/zinc/47/11/35/516471135.db2.gz PZPZJHGGNHBQKW-CYBMUJFWSA-N -1 3 372.406 2.820 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccn1-c1ccccc1 ZINC000557852550 516471367 /nfs/dbraw/zinc/47/13/67/516471367.db2.gz PZPZJHGGNHBQKW-ZDUSSCGKSA-N -1 3 372.406 2.820 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1 ZINC000517866223 516473135 /nfs/dbraw/zinc/47/31/35/516473135.db2.gz IGAPZAYHKBPBPS-UHFFFAOYSA-N -1 3 359.313 2.880 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](SC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000544100039 516581439 /nfs/dbraw/zinc/58/14/39/516581439.db2.gz PFHSAHYOMOVQOM-ZDUSSCGKSA-N -1 3 362.473 2.659 20 5 FFBDHM COc1c(C(=O)[N-]c2nnc(C3CCOCC3)s2)cccc1[N+](=O)[O-] ZINC000561611877 516680370 /nfs/dbraw/zinc/68/03/70/516680370.db2.gz NBAXZTVZJSSFOH-UHFFFAOYSA-N -1 3 364.383 2.601 20 5 FFBDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)CO2 ZINC000531912083 516707501 /nfs/dbraw/zinc/70/75/01/516707501.db2.gz FVPUHSIBRKRJMM-OAHLLOKOSA-N -1 3 362.407 2.932 20 5 FFBDHM COc1ccc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000518842554 516794842 /nfs/dbraw/zinc/79/48/42/516794842.db2.gz ZOLOYQSDYMRTJN-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM Cn1nc(-c2ccncc2)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000544627321 516844280 /nfs/dbraw/zinc/84/42/80/516844280.db2.gz BIMBNWRUYKBTGQ-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM CC(=O)c1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1[O-] ZINC000552069148 517061777 /nfs/dbraw/zinc/06/17/77/517061777.db2.gz DZHUDAMOXJBKCH-UHFFFAOYSA-N -1 3 366.333 2.941 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000552113435 517088400 /nfs/dbraw/zinc/08/84/00/517088400.db2.gz VEIHEDUZLVVSOI-UHFFFAOYSA-N -1 3 350.256 2.936 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc(-c2cnn(C)c2)oc1C ZINC000545959310 517458749 /nfs/dbraw/zinc/45/87/49/517458749.db2.gz AVNLJYNTJKNEMV-UHFFFAOYSA-N -1 3 371.353 2.943 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCc2cccc(O)c21 ZINC000562864545 517464922 /nfs/dbraw/zinc/46/49/22/517464922.db2.gz PAUCBHNNVQAEJE-CQSZACIVSA-N -1 3 364.361 2.781 20 5 FFBDHM CC(C)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521764843 517848467 /nfs/dbraw/zinc/84/84/67/517848467.db2.gz KDNGXOSAGAJENZ-UHFFFAOYSA-N -1 3 351.222 2.682 20 5 FFBDHM O=C(N=c1cc2ccccn2[n-]1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000557527814 518055711 /nfs/dbraw/zinc/05/57/11/518055711.db2.gz VRMOJZATFLYHLD-UHFFFAOYSA-N -1 3 350.256 2.936 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2cccs2)c([N+](=O)[O-])c1 ZINC000522577037 518129888 /nfs/dbraw/zinc/12/98/88/518129888.db2.gz QXYISAZPKJPJKJ-UHFFFAOYSA-N -1 3 356.425 2.879 20 5 FFBDHM C[C@H]1C[C@H]1N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)C1 ZINC000576350167 518550357 /nfs/dbraw/zinc/55/03/57/518550357.db2.gz WDCLXIPLNFKIDP-COPLHBTASA-N -1 3 367.833 2.756 20 5 FFBDHM C[C@]1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000576473975 518610452 /nfs/dbraw/zinc/61/04/52/518610452.db2.gz KVEJEZADGMNYDI-IBGZPJMESA-N -1 3 355.394 2.695 20 5 FFBDHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000570747058 518760096 /nfs/dbraw/zinc/76/00/96/518760096.db2.gz FHBYDZPVIFPGFN-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C([O-])[C@H](c1cccnc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000571530806 519142964 /nfs/dbraw/zinc/14/29/64/519142964.db2.gz ZNJGMFOEVSCRQX-KRWDZBQOSA-N -1 3 357.366 2.659 20 5 FFBDHM COc1cc([C@H]2NC(C)(C)C(=O)N2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000591244809 519560718 /nfs/dbraw/zinc/56/07/18/519560718.db2.gz LDJCJCDGTKKWLV-INIZCTEOSA-N -1 3 357.366 2.723 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1F ZINC000591330329 519592393 /nfs/dbraw/zinc/59/23/93/519592393.db2.gz GDTPESWTISUUQR-WCQYABFASA-N -1 3 366.370 2.577 20 5 FFBDHM Cc1cccc2c(=O)c(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)c[n-]c12 ZINC000569526369 519594058 /nfs/dbraw/zinc/59/40/58/519594058.db2.gz ORGDFBBLFDCMBL-UHFFFAOYSA-N -1 3 363.373 2.943 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594475264 519986531 /nfs/dbraw/zinc/98/65/31/519986531.db2.gz UJJOGIRWCQXHHQ-DZGCQCFKSA-N -1 3 374.846 2.874 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594487221 519997184 /nfs/dbraw/zinc/99/71/84/519997184.db2.gz LTVWORZWJJAFRT-CHWSQXEVSA-N -1 3 362.835 2.874 20 5 FFBDHM CSCCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594753671 520134933 /nfs/dbraw/zinc/13/49/33/520134933.db2.gz MKSBYDKYIVZXPL-UHFFFAOYSA-N -1 3 355.441 2.565 20 5 FFBDHM CSC1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000594769984 520147518 /nfs/dbraw/zinc/14/75/18/520147518.db2.gz MOJMVEZQZFCSRM-UHFFFAOYSA-N -1 3 367.452 2.707 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCC2 ZINC000594803096 520165378 /nfs/dbraw/zinc/16/53/78/520165378.db2.gz LVYILZPUEYNNAM-CABZTGNLSA-N -1 3 350.318 2.835 20 5 FFBDHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1F ZINC000594831685 520178095 /nfs/dbraw/zinc/17/80/95/520178095.db2.gz VKLIUXAWTUOUQR-HNNXBMFYSA-N -1 3 353.375 2.805 20 5 FFBDHM Cc1cc(C)cc(-c2cc(=NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[nH][n-]2)c1 ZINC000597800383 520246390 /nfs/dbraw/zinc/24/63/90/520246390.db2.gz WOYOPHZCQJFNRY-UHFFFAOYSA-N -1 3 368.397 2.594 20 5 FFBDHM COc1cc(CNCc2cccc3c2OC(F)(F)O3)c([N+](=O)[O-])cc1[O-] ZINC000595000500 520250672 /nfs/dbraw/zinc/25/06/72/520250672.db2.gz JUOKQAFWRAUDEO-UHFFFAOYSA-N -1 3 368.292 2.920 20 5 FFBDHM CC1(C)Cc2ccc(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)c([O-])c2O1 ZINC000609480960 520324552 /nfs/dbraw/zinc/32/45/52/520324552.db2.gz CQIYPAHCMBMYOL-UHFFFAOYSA-N -1 3 372.377 2.823 20 5 FFBDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595355538 520424846 /nfs/dbraw/zinc/42/48/46/520424846.db2.gz VZJFGSAXZYCBHF-IRXDYDNUSA-N -1 3 364.423 2.631 20 5 FFBDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000598195401 520487194 /nfs/dbraw/zinc/48/71/94/520487194.db2.gz MOMUNYKGTTVLPO-INIZCTEOSA-N -1 3 369.421 2.689 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)n1 ZINC000617422529 520490108 /nfs/dbraw/zinc/49/01/08/520490108.db2.gz MLKCRSQMMXEYAQ-UHFFFAOYSA-N -1 3 360.761 2.529 20 5 FFBDHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610059410 520519510 /nfs/dbraw/zinc/51/95/10/520519510.db2.gz ASZYTFFTWFCTIM-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610059410 520519516 /nfs/dbraw/zinc/51/95/16/520519516.db2.gz ASZYTFFTWFCTIM-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(C(C)C)s2)cc([N+](=O)[O-])c1OC ZINC000610168991 520567764 /nfs/dbraw/zinc/56/77/64/520567764.db2.gz JZWOVPCQXGAWCM-UHFFFAOYSA-N -1 3 352.372 2.839 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598625727 520749355 /nfs/dbraw/zinc/74/93/55/520749355.db2.gz SLMDSOWUTLLJCT-MRVPVSSYSA-N -1 3 374.287 2.937 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000610715749 520810017 /nfs/dbraw/zinc/81/00/17/520810017.db2.gz CQFWAWBCYLLCQJ-AWEZNQCLSA-N -1 3 360.407 2.608 20 5 FFBDHM O=c1[n-]ccc(NCCc2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000596062229 520888806 /nfs/dbraw/zinc/88/88/06/520888806.db2.gz JGFPWSOLUYMCTN-UHFFFAOYSA-N -1 3 351.746 2.775 20 5 FFBDHM O=c1[n-]ccc(N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[N+](=O)[O-] ZINC000596186794 520959042 /nfs/dbraw/zinc/95/90/42/520959042.db2.gz XZXDESQFUJFWPA-JTQLQIEISA-N -1 3 370.287 2.767 20 5 FFBDHM O=c1[n-]ccc(N2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)c1[N+](=O)[O-] ZINC000596260068 520997666 /nfs/dbraw/zinc/99/76/66/520997666.db2.gz DQBMWLHWBXYKBJ-UHFFFAOYSA-N -1 3 366.381 2.865 20 5 FFBDHM O=c1[n-]ccc(N2CCC[C@H]2c2nccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000596444041 521072586 /nfs/dbraw/zinc/07/25/86/521072586.db2.gz OJAFGIGKEBRUGM-VIFPVBQESA-N -1 3 355.276 2.846 20 5 FFBDHM O=[N+]([O-])c1ccc2[nH]nc(NC([O-])=C(C[C@H]3CCCO3)C(F)(F)F)c2c1 ZINC000593560661 521077711 /nfs/dbraw/zinc/07/77/11/521077711.db2.gz WBNFYRAERDSOML-KOLCDFICSA-N -1 3 372.303 2.579 20 5 FFBDHM CC(C)(C)OC(=O)CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000593632301 521122169 /nfs/dbraw/zinc/12/21/69/521122169.db2.gz BUUNRWFMFPOZCE-UHFFFAOYSA-N -1 3 370.427 2.528 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2C ZINC000619482178 521591034 /nfs/dbraw/zinc/59/10/34/521591034.db2.gz YSNLCZULAZMEPQ-AWEZNQCLSA-N -1 3 362.407 2.878 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1cccc(F)c1 ZINC000619485009 521592800 /nfs/dbraw/zinc/59/28/00/521592800.db2.gz XSMGOEBANVKQCC-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N1CCCCC1=O ZINC000473307365 561047150 /nfs/dbraw/zinc/04/71/50/561047150.db2.gz OQQISKDYAWCWFZ-LBPRGKRZSA-N -1 3 371.397 2.715 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC000738357915 598831027 /nfs/dbraw/zinc/83/10/27/598831027.db2.gz IRBFSLKBBJLSRT-OAHLLOKOSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H](Oc2ccccc2)C1 ZINC000738357915 598831029 /nfs/dbraw/zinc/83/10/29/598831029.db2.gz IRBFSLKBBJLSRT-OAHLLOKOSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000738358664 598856941 /nfs/dbraw/zinc/85/69/41/598856941.db2.gz NYEBXRXSSRQSAP-CQSZACIVSA-N -1 3 368.353 2.686 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000738358664 598856943 /nfs/dbraw/zinc/85/69/43/598856943.db2.gz NYEBXRXSSRQSAP-CQSZACIVSA-N -1 3 368.353 2.686 20 5 FFBDHM Cc1ccnc(NCCSCc2ccccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000737435829 599040182 /nfs/dbraw/zinc/04/01/82/599040182.db2.gz DCUQMVCBFZBWKD-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM Cc1ccnc(NCCSCc2ccccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000737435829 599040185 /nfs/dbraw/zinc/04/01/85/599040185.db2.gz DCUQMVCBFZBWKD-UHFFFAOYSA-N -1 3 371.426 2.824 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738370083 599059307 /nfs/dbraw/zinc/05/93/07/599059307.db2.gz NGPQHSYIDPERPO-ZDUSSCGKSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H]2CCCN(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738370083 599059310 /nfs/dbraw/zinc/05/93/10/599059310.db2.gz NGPQHSYIDPERPO-ZDUSSCGKSA-N -1 3 365.397 2.856 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822271214 599237038 /nfs/dbraw/zinc/23/70/38/599237038.db2.gz QXIYMCQPOOBOQN-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822271214 599237041 /nfs/dbraw/zinc/23/70/41/599237041.db2.gz QXIYMCQPOOBOQN-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000738370355 598581361 /nfs/dbraw/zinc/58/13/61/598581361.db2.gz OMQLJIYLPNUCAS-UHFFFAOYSA-N -1 3 359.346 2.723 20 5 FFBDHM O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000738370355 598581363 /nfs/dbraw/zinc/58/13/63/598581363.db2.gz OMQLJIYLPNUCAS-UHFFFAOYSA-N -1 3 359.346 2.723 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737193139 598587682 /nfs/dbraw/zinc/58/76/82/598587682.db2.gz XPAMRAYTWIVICT-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737193139 598587683 /nfs/dbraw/zinc/58/76/83/598587683.db2.gz XPAMRAYTWIVICT-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM Cc1cccc(OCCN(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000822328160 599339792 /nfs/dbraw/zinc/33/97/92/599339792.db2.gz MAPYWYPCEDKUDL-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM Cc1cccc(OCCN(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000822328160 599339794 /nfs/dbraw/zinc/33/97/94/599339794.db2.gz MAPYWYPCEDKUDL-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820462531 599356748 /nfs/dbraw/zinc/35/67/48/599356748.db2.gz YITXRZDUCXUMNZ-SNVBAGLBSA-N -1 3 350.342 2.596 20 5 FFBDHM C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820462531 599356751 /nfs/dbraw/zinc/35/67/51/599356751.db2.gz YITXRZDUCXUMNZ-SNVBAGLBSA-N -1 3 350.342 2.596 20 5 FFBDHM COc1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826202528 607567192 /nfs/dbraw/zinc/56/71/92/607567192.db2.gz CNYNGOCKUJJAJV-UHFFFAOYSA-N -1 3 374.788 2.727 20 5 FFBDHM COc1ccc(-c2ccc(CN[C@@H]3CCN(C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000739877715 602877289 /nfs/dbraw/zinc/87/72/89/602877289.db2.gz UJUZSPZAXQTYQR-LLVKDONJSA-N -1 3 361.354 2.705 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826263716 607648536 /nfs/dbraw/zinc/64/85/36/607648536.db2.gz NEGRBRDRMHTNGV-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826263716 607648538 /nfs/dbraw/zinc/64/85/38/607648538.db2.gz NEGRBRDRMHTNGV-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000833770755 604762753 /nfs/dbraw/zinc/76/27/53/604762753.db2.gz MVFTZNAXCUFVAU-QGZVFWFLSA-N -1 3 360.366 2.512 20 5 FFBDHM CCN(C[C@H](O)c1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821170980 606241493 /nfs/dbraw/zinc/24/14/93/606241493.db2.gz YSMUATZBOYZFNG-KRWDZBQOSA-N -1 3 368.397 2.643 20 5 FFBDHM CCN(C[C@H](O)c1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821170980 606241495 /nfs/dbraw/zinc/24/14/95/606241495.db2.gz YSMUATZBOYZFNG-KRWDZBQOSA-N -1 3 368.397 2.643 20 5 FFBDHM CO[C@H](C)c1nc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cs1 ZINC000821675383 606593860 /nfs/dbraw/zinc/59/38/60/606593860.db2.gz KKUKKBKZNPPDDJ-MRVPVSSYSA-N -1 3 361.387 2.551 20 5 FFBDHM CO[C@H](C)c1nc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cs1 ZINC000821675383 606593861 /nfs/dbraw/zinc/59/38/61/606593861.db2.gz KKUKKBKZNPPDDJ-MRVPVSSYSA-N -1 3 361.387 2.551 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822982360 606754010 /nfs/dbraw/zinc/75/40/10/606754010.db2.gz DWZTUHUSEMSXBD-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822982360 606754011 /nfs/dbraw/zinc/75/40/11/606754011.db2.gz DWZTUHUSEMSXBD-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000820449699 606791246 /nfs/dbraw/zinc/79/12/46/606791246.db2.gz AVEDWYVZYJHVAG-JTQLQIEISA-N -1 3 369.385 2.550 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C1CCOCC1 ZINC000820449699 606791248 /nfs/dbraw/zinc/79/12/48/606791248.db2.gz AVEDWYVZYJHVAG-JTQLQIEISA-N -1 3 369.385 2.550 20 5 FFBDHM Cc1cccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822288760 607072272 /nfs/dbraw/zinc/07/22/72/607072272.db2.gz IQWDJKRQCHTZTR-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822288760 607072273 /nfs/dbraw/zinc/07/22/73/607072273.db2.gz IQWDJKRQCHTZTR-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822271442 607080901 /nfs/dbraw/zinc/08/09/01/607080901.db2.gz ZVXJPLUCQITVCY-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822271442 607080904 /nfs/dbraw/zinc/08/09/04/607080904.db2.gz ZVXJPLUCQITVCY-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000821304583 607102150 /nfs/dbraw/zinc/10/21/50/607102150.db2.gz LXUPBNBZTRJBNS-UHFFFAOYSA-N -1 3 367.369 2.767 20 5 FFBDHM O=C1CCc2cc([N+](=O)[O-])c(Oc3ccc(-c4nnn[n-]4)cc3F)cc2N1 ZINC000823536130 607129619 /nfs/dbraw/zinc/12/96/19/607129619.db2.gz SURAXGCZNOPIQC-UHFFFAOYSA-N -1 3 370.300 2.591 20 5 FFBDHM O=C1CCc2cc([N+](=O)[O-])c(Oc3ccc(-c4nn[n-]n4)cc3F)cc2N1 ZINC000823536130 607129621 /nfs/dbraw/zinc/12/96/21/607129621.db2.gz SURAXGCZNOPIQC-UHFFFAOYSA-N -1 3 370.300 2.591 20 5 FFBDHM Cc1ccc(OCc2cn3ccccc3c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826292033 607863643 /nfs/dbraw/zinc/86/36/43/607863643.db2.gz GATGGHYFGMWZGV-UHFFFAOYSA-N -1 3 350.338 2.915 20 5 FFBDHM Cc1ccc(OCc2cn3ccccc3c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826292033 607863644 /nfs/dbraw/zinc/86/36/44/607863644.db2.gz GATGGHYFGMWZGV-UHFFFAOYSA-N -1 3 350.338 2.915 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826293680 608053054 /nfs/dbraw/zinc/05/30/54/608053054.db2.gz XZCZPUSWCDPOGD-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826293680 608053055 /nfs/dbraw/zinc/05/30/55/608053055.db2.gz XZCZPUSWCDPOGD-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)c(-c2nnn[n-]2)c1 ZINC000826499066 608099082 /nfs/dbraw/zinc/09/90/82/608099082.db2.gz UOPSRKYXOGPDIX-UPJWGTAASA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3SCCS[C@@H]23)c(-c2nn[n-]n2)c1 ZINC000826499066 608099083 /nfs/dbraw/zinc/09/90/83/608099083.db2.gz UOPSRKYXOGPDIX-UPJWGTAASA-N -1 3 364.456 2.566 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccco1 ZINC000824045112 608158896 /nfs/dbraw/zinc/15/88/96/608158896.db2.gz GNRUTTZYHQUNNQ-ZETCQYMHSA-N -1 3 362.733 2.764 20 5 FFBDHM C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccco1 ZINC000824045112 608158897 /nfs/dbraw/zinc/15/88/97/608158897.db2.gz GNRUTTZYHQUNNQ-ZETCQYMHSA-N -1 3 362.733 2.764 20 5 FFBDHM COc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826187420 608163121 /nfs/dbraw/zinc/16/31/21/608163121.db2.gz PGLOLTJBXJLMFA-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826187420 608163123 /nfs/dbraw/zinc/16/31/23/608163123.db2.gz PGLOLTJBXJLMFA-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000824123894 608439224 /nfs/dbraw/zinc/43/92/24/608439224.db2.gz LTNWCQLAFUYJBB-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000824123894 608439226 /nfs/dbraw/zinc/43/92/26/608439226.db2.gz LTNWCQLAFUYJBB-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM Cc1nnc(SCCc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1C ZINC000826337121 609308582 /nfs/dbraw/zinc/30/85/82/609308582.db2.gz CESCTBIFYDQKMZ-UHFFFAOYSA-N -1 3 357.399 2.517 20 5 FFBDHM Cc1nnc(SCCc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1C ZINC000826337121 609308583 /nfs/dbraw/zinc/30/85/83/609308583.db2.gz CESCTBIFYDQKMZ-UHFFFAOYSA-N -1 3 357.399 2.517 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cc(F)ccc3-c3nnn[n-]3)c2)c1 ZINC000826499424 609313835 /nfs/dbraw/zinc/31/38/35/609313835.db2.gz IFJAMYWLAQBLCC-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cc(F)ccc3-c3nn[n-]n3)c2)c1 ZINC000826499424 609313837 /nfs/dbraw/zinc/31/38/37/609313837.db2.gz IFJAMYWLAQBLCC-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826263550 609435419 /nfs/dbraw/zinc/43/54/19/609435419.db2.gz GVERFDFQVHVGRS-UHFFFAOYSA-N -1 3 370.369 2.635 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(OCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826263550 609435420 /nfs/dbraw/zinc/43/54/20/609435420.db2.gz GVERFDFQVHVGRS-UHFFFAOYSA-N -1 3 370.369 2.635 20 5 FFBDHM CC(=CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823944180 609498915 /nfs/dbraw/zinc/49/89/15/609498915.db2.gz ZMTNQJUQGIVPJL-NTMALXAHSA-N -1 3 368.328 2.956 20 5 FFBDHM CC(=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823944180 609498917 /nfs/dbraw/zinc/49/89/17/609498917.db2.gz ZMTNQJUQGIVPJL-NTMALXAHSA-N -1 3 368.328 2.956 20 5 FFBDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824906444 609575989 /nfs/dbraw/zinc/57/59/89/609575989.db2.gz BPICNZUWMMISET-SCZZXKLOSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824906444 609575990 /nfs/dbraw/zinc/57/59/90/609575990.db2.gz BPICNZUWMMISET-SCZZXKLOSA-N -1 3 356.308 2.942 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1nccs1 ZINC000154309107 728801613 /nfs/dbraw/zinc/80/16/13/728801613.db2.gz MPMGVQQUZZMFMA-JTQLQIEISA-N -1 3 359.404 2.928 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000856751824 730354971 /nfs/dbraw/zinc/35/49/71/730354971.db2.gz MRFDTRBGGPBJNM-ZETCQYMHSA-N -1 3 359.256 2.827 20 5 FFBDHM CC[C@@H]1[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000858726859 730432152 /nfs/dbraw/zinc/43/21/52/730432152.db2.gz VJAJUFHGDCNGCV-CMPLNLGQSA-N -1 3 352.391 2.895 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCOC2)c(Cl)c1 ZINC000867736465 731218658 /nfs/dbraw/zinc/21/86/58/731218658.db2.gz MIEJWKXEAHJDQJ-IAQYHMDHSA-N -1 3 374.846 2.732 20 5 FFBDHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000742330551 735228874 /nfs/dbraw/zinc/22/88/74/735228874.db2.gz VZCCEXSPHRUOTD-ZJUUUORDSA-N -1 3 350.849 2.811 20 5 FFBDHM COc1cc(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC000754280461 736143923 /nfs/dbraw/zinc/14/39/23/736143923.db2.gz OIWSVPXKANIDKX-UHFFFAOYSA-N -1 3 351.286 2.814 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1C[C@H]2CC[C@@H](C1)S2 ZINC000907661534 736654012 /nfs/dbraw/zinc/65/40/12/736654012.db2.gz PFJANIGYSSWPIB-FGWVZKOKSA-N -1 3 362.860 2.953 20 5 FFBDHM O=C([N-]OCC(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000766764550 737259470 /nfs/dbraw/zinc/25/94/70/737259470.db2.gz GQSWFKQDQOYUAZ-UHFFFAOYSA-N -1 3 361.045 2.720 20 5 FFBDHM Cc1ccnc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1 ZINC000815073664 741895299 /nfs/dbraw/zinc/89/52/99/741895299.db2.gz TWQHAVKNBDAFSN-UHFFFAOYSA-N -1 3 355.803 2.739 20 5 FFBDHM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800928914 740567297 /nfs/dbraw/zinc/56/72/97/740567297.db2.gz YTRGYQWIWZJGOP-UHFFFAOYSA-N -1 3 368.342 2.711 20 5 FFBDHM CCOC(=O)C(CC)(CC)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000817083992 742086368 /nfs/dbraw/zinc/08/63/68/742086368.db2.gz JNZZQRPGIFAPIL-UHFFFAOYSA-N -1 3 358.341 2.925 20 5 FFBDHM CC(F)(F)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000831691828 745569838 /nfs/dbraw/zinc/56/98/38/745569838.db2.gz XCTIDRMVBOTQRU-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2SCCS2)c(Cl)c1 ZINC000851845952 749701315 /nfs/dbraw/zinc/70/13/15/749701315.db2.gz ZFVRGAZIGCANKD-UHFFFAOYSA-N -1 3 368.889 2.723 20 5 FFBDHM CC(C)OCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824314519 946651354 /nfs/dbraw/zinc/65/13/54/946651354.db2.gz CTNLHGSQBKBTQW-UHFFFAOYSA-N -1 3 371.401 2.940 20 5 FFBDHM CC(C)OCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824314519 946651360 /nfs/dbraw/zinc/65/13/60/946651360.db2.gz CTNLHGSQBKBTQW-UHFFFAOYSA-N -1 3 371.401 2.940 20 5 FFBDHM C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824385445 946674366 /nfs/dbraw/zinc/67/43/66/946674366.db2.gz TWZNDPIEGOLTKC-NSHDSACASA-N -1 3 367.369 2.604 20 5 FFBDHM C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824385445 946674373 /nfs/dbraw/zinc/67/43/73/946674373.db2.gz TWZNDPIEGOLTKC-NSHDSACASA-N -1 3 367.369 2.604 20 5 FFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001575514902 949177288 /nfs/dbraw/zinc/17/72/88/949177288.db2.gz ZZLGNQRBMAUTNK-JTQLQIEISA-N -1 3 364.369 2.849 20 5 FFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001575514902 949177297 /nfs/dbraw/zinc/17/72/97/949177297.db2.gz ZZLGNQRBMAUTNK-JTQLQIEISA-N -1 3 364.369 2.849 20 5 FFBDHM C[C@H]1CN(CCC(=O)[O-])CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000910453488 981950443 /nfs/dbraw/zinc/95/04/43/981950443.db2.gz AJVDXZGYKZLPNM-AWEZNQCLSA-N -1 3 370.409 2.642 20 5 FFBDHM CCO[C@@H]1C[C@](NCc2ccc(Cl)cc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596839538 985519591 /nfs/dbraw/zinc/51/95/91/985519591.db2.gz UETRSROYPCURLZ-CJNGLKHVSA-N -1 3 356.806 2.996 20 5 FFBDHM C[C@](NCc1c[nH]c(=O)c2ccccc12)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593286676 994647637 /nfs/dbraw/zinc/64/76/37/994647637.db2.gz WNQYSZBAVCWRNP-LJQANCHMSA-N -1 3 367.361 2.938 20 5 FFBDHM COC(=O)[C@@H]1CCCCC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598894460 997053755 /nfs/dbraw/zinc/05/37/55/997053755.db2.gz SZGDUJJAJFVOQS-KGLIPLIRSA-N -1 3 350.371 2.505 20 5 FFBDHM CC(C)OC(=O)NCc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000770502243 1000800608 /nfs/dbraw/zinc/80/06/08/1000800608.db2.gz IBSCABHZUNOPJD-UHFFFAOYSA-N -1 3 374.353 2.582 20 5 FFBDHM O=C(Nc1ccc([O-])cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001147085687 1000819260 /nfs/dbraw/zinc/81/92/60/1000819260.db2.gz OLCIZZCCFFSLRQ-UHFFFAOYSA-N -1 3 350.714 2.977 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)nc21 ZINC000790864228 1002511663 /nfs/dbraw/zinc/51/16/63/1002511663.db2.gz CHJAKQBFNUOWMN-UHFFFAOYSA-N -1 3 372.312 2.958 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCOc2ccc([N+](=O)[O-])cc2)c(F)c1F ZINC001186644465 1003380233 /nfs/dbraw/zinc/38/02/33/1003380233.db2.gz RSBOLLYKICOMJS-UHFFFAOYSA-N -1 3 372.349 2.539 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])s1 ZINC001191802281 1003960612 /nfs/dbraw/zinc/96/06/12/1003960612.db2.gz VGHSOSAQLPRAOH-FZMZJTMJSA-N -1 3 370.452 2.674 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1CCSC1 ZINC001193628540 1004528423 /nfs/dbraw/zinc/52/84/23/1004528423.db2.gz KYCCUIJLTBAXEN-VIFPVBQESA-N -1 3 350.849 2.670 20 5 FFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001187874982 1006303400 /nfs/dbraw/zinc/30/34/00/1006303400.db2.gz KJGZAYLWJGRNCW-DGCLKSJQSA-N -1 3 362.448 2.995 20 5 FFBDHM CN(C)c1ccc(N2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853385501 1006380616 /nfs/dbraw/zinc/38/06/16/1006380616.db2.gz ZUAHBILRIJBPLC-UHFFFAOYSA-N -1 3 357.414 2.842 20 5 FFBDHM COCC[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC001180927353 1009899328 /nfs/dbraw/zinc/89/93/28/1009899328.db2.gz TVBQSMGYNRYYAH-LBPRGKRZSA-N -1 3 357.366 2.866 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)OCCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000726204115 1020432184 /nfs/dbraw/zinc/43/21/84/1020432184.db2.gz QZVOXGRYTCWXRK-UHFFFAOYSA-N -1 3 372.377 2.515 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001212936958 1027444382 /nfs/dbraw/zinc/44/43/82/1027444382.db2.gz GRYBTSQDKHHJGN-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1C ZINC001153976482 1028093180 /nfs/dbraw/zinc/09/31/80/1028093180.db2.gz QMOKXBYUZWUMEN-UHFFFAOYSA-N -1 3 354.366 2.741 20 5 FFBDHM Cc1ncc(Nc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)c(=O)[n-]1 ZINC001162301906 1028495983 /nfs/dbraw/zinc/49/59/83/1028495983.db2.gz DSYZPBRSTNGHCF-LBPRGKRZSA-N -1 3 358.745 2.515 20 5 FFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1noc(-c2ccccc2[O-])n1 ZINC000783879261 1030318321 /nfs/dbraw/zinc/31/83/21/1030318321.db2.gz SKYDSQAIGOOGMS-UHFFFAOYSA-N -1 3 355.306 2.636 20 5 FFBDHM C/C=C/C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC001138130600 1033818595 /nfs/dbraw/zinc/81/85/95/1033818595.db2.gz BAUWNFXBIPQTAM-LQPUYASZSA-N -1 3 356.325 2.701 20 5 FFBDHM CCOC(=O)[C@@H]1C[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])c2ccccc2O1 ZINC001225664505 1034360038 /nfs/dbraw/zinc/36/00/38/1034360038.db2.gz PMEKUZYSARHQQI-KGLIPLIRSA-N -1 3 360.322 2.530 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(C(F)(F)F)nc(=S)[n-]1 ZINC001225853839 1034427965 /nfs/dbraw/zinc/42/79/65/1034427965.db2.gz RQPFDWLQGTYZBD-ZCFIWIBFSA-N -1 3 363.321 2.665 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226531724 1034723289 /nfs/dbraw/zinc/72/32/89/1034723289.db2.gz FXCLNGSMHHUXRP-JTQLQIEISA-N -1 3 359.338 2.688 20 5 FFBDHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1nc(Br)ccc1F ZINC001536173269 1069930636 /nfs/dbraw/zinc/93/06/36/1069930636.db2.gz UKRXAJRLTVDGKA-UHFFFAOYSA-N -1 3 371.122 2.547 20 5 FFBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C1CN(C(=O)OC(C)(C)C)C1 ZINC001227692581 1035675809 /nfs/dbraw/zinc/67/58/09/1035675809.db2.gz AACBTDZKAJSDFB-VIFPVBQESA-N -1 3 363.374 2.500 20 5 FFBDHM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744703 1035711446 /nfs/dbraw/zinc/71/14/46/1035711446.db2.gz HYBSCLNPZMILRM-RWMBFGLXSA-N -1 3 367.402 2.695 20 5 FFBDHM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744703 1035711459 /nfs/dbraw/zinc/71/14/59/1035711459.db2.gz HYBSCLNPZMILRM-RWMBFGLXSA-N -1 3 367.402 2.695 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2C[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC001228686753 1036256655 /nfs/dbraw/zinc/25/66/55/1036256655.db2.gz QTHHJLNLFKATJU-PHIMTYICSA-N -1 3 353.375 2.781 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001228689679 1036259352 /nfs/dbraw/zinc/25/93/52/1036259352.db2.gz WIMBPJCGJVVHAD-QJPTWQEYSA-N -1 3 365.386 2.923 20 5 FFBDHM C[N@@H+]1CCC[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)CC1 ZINC001234122935 1036927299 /nfs/dbraw/zinc/92/72/99/1036927299.db2.gz CHAPHEWBGHVQPV-GFCCVEGCSA-N -1 3 371.389 2.926 20 5 FFBDHM C[N@H+]1CCC[C@@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)CC1 ZINC001234122935 1036927314 /nfs/dbraw/zinc/92/73/14/1036927314.db2.gz CHAPHEWBGHVQPV-GFCCVEGCSA-N -1 3 371.389 2.926 20 5 FFBDHM COc1ncc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC001247998447 1040093660 /nfs/dbraw/zinc/09/36/60/1040093660.db2.gz DGGFPOFHCLBDTG-UHFFFAOYSA-N -1 3 355.310 2.609 20 5 FFBDHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001213247005 1040370537 /nfs/dbraw/zinc/37/05/37/1040370537.db2.gz ISVCJTKOSHYTMJ-ZUZCIYMTSA-N -1 3 370.814 2.649 20 5 FFBDHM COc1c(Cl)cccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001213888696 1041027736 /nfs/dbraw/zinc/02/77/36/1041027736.db2.gz KVQXRAYMUHZMLE-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC001330270373 1049111480 /nfs/dbraw/zinc/11/14/80/1049111480.db2.gz OJOKGCDMNADGPB-UHFFFAOYSA-N -1 3 351.746 2.728 20 5 FFBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1nnc(C(F)(F)F)[n-]1 ZINC001339005630 1056007997 /nfs/dbraw/zinc/00/79/97/1056007997.db2.gz HYICFLSGEUIPJU-UHFFFAOYSA-N -1 3 367.646 2.705 20 5 FFBDHM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1nc(C(F)(F)F)n[n-]1 ZINC001339005630 1056008002 /nfs/dbraw/zinc/00/80/02/1056008002.db2.gz HYICFLSGEUIPJU-UHFFFAOYSA-N -1 3 367.646 2.705 20 5 FFBDHM O=C(Nc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001454410624 1059533405 /nfs/dbraw/zinc/53/34/05/1059533405.db2.gz WSPZOSRDYCOJMY-UONOGXRCSA-N -1 3 350.338 2.517 20 5 FFBDHM O=C(Nc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001454410624 1059533422 /nfs/dbraw/zinc/53/34/22/1059533422.db2.gz WSPZOSRDYCOJMY-UONOGXRCSA-N -1 3 350.338 2.517 20 5 FFBDHM O=C([N-]Cc1noc2c1CCCC2)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848589781 1060323296 /nfs/dbraw/zinc/32/32/96/1060323296.db2.gz NZAZAOJZAIAKGA-UHFFFAOYSA-N -1 3 367.308 2.750 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@H]1CCCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001458536314 1060615793 /nfs/dbraw/zinc/61/57/93/1060615793.db2.gz KYCOTZHMHFHWTI-GFCCVEGCSA-N -1 3 366.418 2.969 20 5 FFBDHM O=C([N-]c1nc2cc(Br)ccn2n1)c1csc([N+](=O)[O-])c1 ZINC001526033436 1060978721 /nfs/dbraw/zinc/97/87/21/1060978721.db2.gz LOEKKFZEVCXJJA-UHFFFAOYSA-N -1 3 368.172 2.714 20 5 FFBDHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC001464414443 1062598895 /nfs/dbraw/zinc/59/88/95/1062598895.db2.gz SJZYLVJOAHNSJF-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM C[C@H]1Cc2cc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ccc2O1 ZINC001464461593 1062626445 /nfs/dbraw/zinc/62/64/45/1062626445.db2.gz JITRGQGZEQIFOW-JTQLQIEISA-N -1 3 366.370 2.536 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001436648149 1062759733 /nfs/dbraw/zinc/75/97/33/1062759733.db2.gz GGCJTKJDLQFCTB-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001436648149 1062759746 /nfs/dbraw/zinc/75/97/46/1062759746.db2.gz GGCJTKJDLQFCTB-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001473124292 1065204803 /nfs/dbraw/zinc/20/48/03/1065204803.db2.gz LYMPEMMVBCIRJV-UHFFFAOYSA-N -1 3 358.398 2.574 20 5 FFBDHM COc1c([O-])ccc(CN(C)CC(=O)Nc2cccc(C)c2C)c1[N+](=O)[O-] ZINC001474348582 1065500153 /nfs/dbraw/zinc/50/01/53/1065500153.db2.gz KXBTYJWOUHGZSA-UHFFFAOYSA-N -1 3 373.409 2.996 20 5 FFBDHM CON(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[C@H]1CCC[C@@H](C)C1 ZINC001579847232 1078697162 /nfs/dbraw/zinc/69/71/62/1078697162.db2.gz DZHQKAWRCWASMK-OLZOCXBDSA-N -1 3 360.418 2.965 20 5 FFBDHM CON(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[C@H]1CCC[C@@H](C)C1 ZINC001579847232 1078697165 /nfs/dbraw/zinc/69/71/65/1078697165.db2.gz DZHQKAWRCWASMK-OLZOCXBDSA-N -1 3 360.418 2.965 20 5 FFBDHM Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc(-c2nnn[n-]2)c1 ZINC001580979872 1078901549 /nfs/dbraw/zinc/90/15/49/1078901549.db2.gz XNHCAMAWPRVDON-JTQLQIEISA-N -1 3 370.344 2.965 20 5 FFBDHM Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)cc(-c2nn[n-]n2)c1 ZINC001580979872 1078901554 /nfs/dbraw/zinc/90/15/54/1078901554.db2.gz XNHCAMAWPRVDON-JTQLQIEISA-N -1 3 370.344 2.965 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001581551958 1078977668 /nfs/dbraw/zinc/97/76/68/1078977668.db2.gz YGFLVCWBCZGKIX-UHFFFAOYSA-N -1 3 365.353 2.608 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001581551958 1078977673 /nfs/dbraw/zinc/97/76/73/1078977673.db2.gz YGFLVCWBCZGKIX-UHFFFAOYSA-N -1 3 365.353 2.608 20 5 FFBDHM O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001582636002 1079080246 /nfs/dbraw/zinc/08/02/46/1079080246.db2.gz QVXRYJSOLWTJNG-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001582636002 1079080249 /nfs/dbraw/zinc/08/02/49/1079080249.db2.gz QVXRYJSOLWTJNG-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001582635983 1079080274 /nfs/dbraw/zinc/08/02/74/1079080274.db2.gz QTHNJDFWDVYLHX-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001582635983 1079080277 /nfs/dbraw/zinc/08/02/77/1079080277.db2.gz QTHNJDFWDVYLHX-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1NC[C@H]1CCOc2ccccc21 ZINC001582804702 1079109461 /nfs/dbraw/zinc/10/94/61/1079109461.db2.gz ZFXQMCSDLQOIDP-LLVKDONJSA-N -1 3 352.354 2.753 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1NC[C@H]1CCOc2ccccc21 ZINC001582804702 1079109466 /nfs/dbraw/zinc/10/94/66/1079109466.db2.gz ZFXQMCSDLQOIDP-LLVKDONJSA-N -1 3 352.354 2.753 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(CCc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC001582803672 1079109826 /nfs/dbraw/zinc/10/98/26/1079109826.db2.gz PUQOANSJKUMWQM-UHFFFAOYSA-N -1 3 361.365 2.881 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cnn(CCc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC001582803672 1079109829 /nfs/dbraw/zinc/10/98/29/1079109829.db2.gz PUQOANSJKUMWQM-UHFFFAOYSA-N -1 3 361.365 2.881 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[n-]n1 ZINC001556064164 1075696160 /nfs/dbraw/zinc/69/61/60/1075696160.db2.gz YIHNNXDJYLGKBK-UHFFFAOYSA-N -1 3 358.354 2.555 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)n[n-]1 ZINC001556064164 1075696163 /nfs/dbraw/zinc/69/61/63/1075696163.db2.gz YIHNNXDJYLGKBK-UHFFFAOYSA-N -1 3 358.354 2.555 20 5 FFBDHM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001558189831 1075958547 /nfs/dbraw/zinc/95/85/47/1075958547.db2.gz QOQCPDZMDMEFLE-UHFFFAOYSA-N -1 3 358.329 2.571 20 5 FFBDHM COc1cc(CNc2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])cc1[O-] ZINC001560278326 1076259396 /nfs/dbraw/zinc/25/93/96/1076259396.db2.gz OQCPGDFHWNOQFB-UHFFFAOYSA-N -1 3 364.354 2.947 20 5 FFBDHM COCC(=O)Nc1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC001560280958 1076259404 /nfs/dbraw/zinc/25/94/04/1076259404.db2.gz APKKGFUYVVXYNB-UHFFFAOYSA-N -1 3 361.354 2.506 20 5 FFBDHM O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc([N+](=O)[O-])c1Cl ZINC001586287762 1079590190 /nfs/dbraw/zinc/59/01/90/1079590190.db2.gz ISBXVJKUSUUKCJ-UHFFFAOYSA-N -1 3 362.773 2.941 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001589203223 1080416101 /nfs/dbraw/zinc/41/61/01/1080416101.db2.gz ZGESRTHGDIIGCM-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1cccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001589203223 1080416106 /nfs/dbraw/zinc/41/61/06/1080416106.db2.gz ZGESRTHGDIIGCM-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)c1ccc2c(c1)CN(c1ncc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC001589770730 1080724921 /nfs/dbraw/zinc/72/49/21/1080724921.db2.gz JTRKPASIEWKDPM-UHFFFAOYSA-N -1 3 365.397 2.856 20 5 FFBDHM CC(C)c1ccc2c(c1)CN(c1ncc(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC001589770730 1080724927 /nfs/dbraw/zinc/72/49/27/1080724927.db2.gz JTRKPASIEWKDPM-UHFFFAOYSA-N -1 3 365.397 2.856 20 5 FFBDHM C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589950105 1080892918 /nfs/dbraw/zinc/89/29/18/1080892918.db2.gz PPGIIAGEKWCRNS-JTQLQIEISA-N -1 3 369.410 2.823 20 5 FFBDHM C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589950105 1080892924 /nfs/dbraw/zinc/89/29/24/1080892924.db2.gz PPGIIAGEKWCRNS-JTQLQIEISA-N -1 3 369.410 2.823 20 5 FFBDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001589977904 1080916490 /nfs/dbraw/zinc/91/64/90/1080916490.db2.gz AKRMTPOMQKOKDY-SKVICXGVSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC001589977904 1080916495 /nfs/dbraw/zinc/91/64/95/1080916495.db2.gz AKRMTPOMQKOKDY-SKVICXGVSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@](O)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC001589991008 1080926267 /nfs/dbraw/zinc/92/62/67/1080926267.db2.gz NVUKWNMQDISEIU-MRXNPFEDSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@@](O)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC001589991008 1080926270 /nfs/dbraw/zinc/92/62/70/1080926270.db2.gz NVUKWNMQDISEIU-MRXNPFEDSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001590008452 1080935948 /nfs/dbraw/zinc/93/59/48/1080935948.db2.gz HADKINGYHRBGAU-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001590008452 1080935951 /nfs/dbraw/zinc/93/59/51/1080935951.db2.gz HADKINGYHRBGAU-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001590032474 1080958878 /nfs/dbraw/zinc/95/88/78/1080958878.db2.gz AXMYBFBCWJSNPE-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001590032474 1080958882 /nfs/dbraw/zinc/95/88/82/1080958882.db2.gz AXMYBFBCWJSNPE-SNVBAGLBSA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001590042359 1080966814 /nfs/dbraw/zinc/96/68/14/1080966814.db2.gz DEVWQVYIFIWYMF-SNVBAGLBSA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001590042359 1080966819 /nfs/dbraw/zinc/96/68/19/1080966819.db2.gz DEVWQVYIFIWYMF-SNVBAGLBSA-N -1 3 370.344 2.747 20 5 FFBDHM CC1(C)CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c2ccccc2O1 ZINC001590103717 1081015433 /nfs/dbraw/zinc/01/54/33/1081015433.db2.gz BRRIBEUBVTYVFY-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM CC1(C)CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c2ccccc2O1 ZINC001590103717 1081015441 /nfs/dbraw/zinc/01/54/41/1081015441.db2.gz BRRIBEUBVTYVFY-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590169730 1081067621 /nfs/dbraw/zinc/06/76/21/1081067621.db2.gz YDGRVWALIOJFSS-SVRRBLITSA-N -1 3 360.271 2.691 20 5 FFBDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590169730 1081067623 /nfs/dbraw/zinc/06/76/23/1081067623.db2.gz YDGRVWALIOJFSS-SVRRBLITSA-N -1 3 360.271 2.691 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000268803136 251388835 /nfs/dbraw/zinc/38/88/35/251388835.db2.gz QUXORVMFMARJDD-NSHDSACASA-N -1 3 370.818 2.636 20 5 FFBDHM C[C@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN(Cc2ccccc2)C1 ZINC000312281938 258115639 /nfs/dbraw/zinc/11/56/39/258115639.db2.gz KDFAVOXBFLPCGP-HXUWFJFHSA-N -1 3 369.421 2.942 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC000330626057 258166914 /nfs/dbraw/zinc/16/69/14/258166914.db2.gz IKQCLZGKELQXSN-UKRRQHHQSA-N -1 3 356.444 2.694 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1F ZINC000032405418 506248173 /nfs/dbraw/zinc/24/81/73/506248173.db2.gz XWYIIUFKZHXEOV-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000065794784 506367050 /nfs/dbraw/zinc/36/70/50/506367050.db2.gz QOUYWUSDOZQMED-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000065795419 506368383 /nfs/dbraw/zinc/36/83/83/506368383.db2.gz WPPLQLDWKPRUQN-UONOGXRCSA-N -1 3 366.370 2.577 20 5 FFBDHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055242421 506707190 /nfs/dbraw/zinc/70/71/90/506707190.db2.gz DKVGZCCNGHRSRN-SMDDNHRTSA-N -1 3 360.407 2.608 20 5 FFBDHM O=C([N-]c1cc(F)c(F)cc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067170341 506782431 /nfs/dbraw/zinc/78/24/31/506782431.db2.gz OHBMEAWCWLTTDZ-UHFFFAOYSA-N -1 3 363.255 2.845 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000055974735 506901765 /nfs/dbraw/zinc/90/17/65/506901765.db2.gz MXPFBOZBAOZJKS-UHFFFAOYSA-N -1 3 372.349 2.983 20 5 FFBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000068940371 507366612 /nfs/dbraw/zinc/36/66/12/507366612.db2.gz RVESLCVTKPKFQY-UHFFFAOYSA-N -1 3 362.816 2.667 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000026874270 507616343 /nfs/dbraw/zinc/61/63/43/507616343.db2.gz NMWGEAJMWQETNT-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029388443 507776439 /nfs/dbraw/zinc/77/64/39/507776439.db2.gz LVUCXTDXWQVWQV-UHFFFAOYSA-N -1 3 356.264 2.558 20 5 FFBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000029388443 507776441 /nfs/dbraw/zinc/77/64/41/507776441.db2.gz LVUCXTDXWQVWQV-UHFFFAOYSA-N -1 3 356.264 2.558 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c1 ZINC000076308764 508185223 /nfs/dbraw/zinc/18/52/23/508185223.db2.gz XZJFQVAQIJXJFU-JTQLQIEISA-N -1 3 361.217 2.744 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000104737371 508344223 /nfs/dbraw/zinc/34/42/23/508344223.db2.gz FHMKLLCXERAJAF-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000156716763 508467375 /nfs/dbraw/zinc/46/73/75/508467375.db2.gz OVFQTCWYPCIVNX-CJNGLKHVSA-N -1 3 355.394 2.551 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c1 ZINC000152973030 508535848 /nfs/dbraw/zinc/53/58/48/508535848.db2.gz PTMSAQQLAPZYEK-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)c([N+](=O)[O-])c1 ZINC000135535827 508618933 /nfs/dbraw/zinc/61/89/33/508618933.db2.gz JAZZWJNPNPSWTM-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000153781805 508648640 /nfs/dbraw/zinc/64/86/40/508648640.db2.gz ZLDMASVNZHWBBK-AWEZNQCLSA-N -1 3 370.814 2.914 20 5 FFBDHM COc1ccc([O-])c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000153836268 508659774 /nfs/dbraw/zinc/65/97/74/508659774.db2.gz VTWGNYBTERDMQF-UHFFFAOYSA-N -1 3 368.349 2.962 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)c(F)c1 ZINC000128926905 508660098 /nfs/dbraw/zinc/66/00/98/508660098.db2.gz ZMBIPNCMROUBFM-UHFFFAOYSA-N -1 3 354.334 2.841 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000128940566 508662199 /nfs/dbraw/zinc/66/21/99/508662199.db2.gz QXKBBOFVWHLNNN-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000158215980 508672750 /nfs/dbraw/zinc/67/27/50/508672750.db2.gz MHEHLDFSZGLZQN-JOYOIKCWSA-N -1 3 374.415 2.586 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc([N+](=O)[O-])c1 ZINC000136152869 508674350 /nfs/dbraw/zinc/67/43/50/508674350.db2.gz YHCMDUYBCKWWEX-UHFFFAOYSA-N -1 3 356.294 2.617 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc([N+](=O)[O-])c1 ZINC000136152869 508674351 /nfs/dbraw/zinc/67/43/51/508674351.db2.gz YHCMDUYBCKWWEX-UHFFFAOYSA-N -1 3 356.294 2.617 20 5 FFBDHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000124171415 508792150 /nfs/dbraw/zinc/79/21/50/508792150.db2.gz FBROPWIGVYJAKK-LLVKDONJSA-N -1 3 364.851 2.571 20 5 FFBDHM Cc1conc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1I ZINC000154615995 508820245 /nfs/dbraw/zinc/82/02/45/508820245.db2.gz UZNUOADPWGTVEW-UHFFFAOYSA-N -1 3 373.106 2.748 20 5 FFBDHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000130921733 508866010 /nfs/dbraw/zinc/86/60/10/508866010.db2.gz VRVYZOCYDIQTNL-ZDUSSCGKSA-N -1 3 369.468 2.546 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCN(CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000124828438 508890875 /nfs/dbraw/zinc/89/08/75/508890875.db2.gz GUIMQKBWXHEIED-ZDUSSCGKSA-N -1 3 373.500 2.508 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000125070562 508926898 /nfs/dbraw/zinc/92/68/98/508926898.db2.gz FJMAYNSDINZGQH-UHFFFAOYSA-N -1 3 356.444 2.860 20 5 FFBDHM CCOC(=O)c1c([N-]C(=O)c2c([N+](=O)[O-])cnn2C)sc(C)c1CC ZINC000120243512 508956993 /nfs/dbraw/zinc/95/69/93/508956993.db2.gz HXINBLLZYUEXIF-UHFFFAOYSA-N -1 3 366.399 2.690 20 5 FFBDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000125277426 508959043 /nfs/dbraw/zinc/95/90/43/508959043.db2.gz LDBYMVZHZLENSX-LBPRGKRZSA-N -1 3 370.452 2.593 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)c1C ZINC000120416776 508991557 /nfs/dbraw/zinc/99/15/57/508991557.db2.gz QRFWSFKEGCWQIA-AWEZNQCLSA-N -1 3 367.471 2.507 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)c1C ZINC000120416776 508991559 /nfs/dbraw/zinc/99/15/59/508991559.db2.gz QRFWSFKEGCWQIA-AWEZNQCLSA-N -1 3 367.471 2.507 20 5 FFBDHM CCc1ccc([C@H](CO)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000125739992 509023803 /nfs/dbraw/zinc/02/38/03/509023803.db2.gz NOPVJSYNSYOERP-ZDUSSCGKSA-N -1 3 370.452 2.539 20 5 FFBDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1nccs1 ZINC000151486733 509027098 /nfs/dbraw/zinc/02/70/98/509027098.db2.gz VICMLAZTAIVKMQ-AWEZNQCLSA-N -1 3 355.441 2.963 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120610249 509030914 /nfs/dbraw/zinc/03/09/14/509030914.db2.gz IXVAITSBZRJLLS-LLVKDONJSA-N -1 3 353.400 2.856 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000151593319 509049576 /nfs/dbraw/zinc/04/95/76/509049576.db2.gz MLGFQSQWOCUOPZ-UHFFFAOYSA-N -1 3 362.407 2.862 20 5 FFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cn2ccnc2s1 ZINC000191816948 509196158 /nfs/dbraw/zinc/19/61/58/509196158.db2.gz CPDNAWVVTHTUAO-UHFFFAOYSA-N -1 3 360.351 2.718 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)s1 ZINC000182976867 509526543 /nfs/dbraw/zinc/52/65/43/509526543.db2.gz BLNHZWHBPSVUHO-UHFFFAOYSA-N -1 3 359.404 2.540 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000186336203 509654953 /nfs/dbraw/zinc/65/49/53/509654953.db2.gz XHKPYQRNGGLAOT-SECBINFHSA-N -1 3 374.415 2.714 20 5 FFBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccnc1 ZINC000177023167 509824147 /nfs/dbraw/zinc/82/41/47/509824147.db2.gz PISQPZQOEHJZHY-AWEZNQCLSA-N -1 3 367.402 2.847 20 5 FFBDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])nc12 ZINC000180255096 509836198 /nfs/dbraw/zinc/83/61/98/509836198.db2.gz SZRXUIYCLOKIKM-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1nc(C(C)(C)C)no1 ZINC000174036716 509918104 /nfs/dbraw/zinc/91/81/04/509918104.db2.gz XZBBNPGZCKTFKB-SNVBAGLBSA-N -1 3 368.415 2.623 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(Br)c(F)cc1F ZINC000190245987 510025343 /nfs/dbraw/zinc/02/53/43/510025343.db2.gz XKEDXAGXOVPRRH-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c(F)c1 ZINC000190720121 510305268 /nfs/dbraw/zinc/30/52/68/510305268.db2.gz PFXHEQXDQMTVGS-ZDUSSCGKSA-N -1 3 370.333 2.675 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184425102 510319175 /nfs/dbraw/zinc/31/91/75/510319175.db2.gz BWZGIJMQTIVYCP-GFCCVEGCSA-N -1 3 355.441 2.930 20 5 FFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000171835112 510397977 /nfs/dbraw/zinc/39/79/77/510397977.db2.gz XOMCXVNVYOJYFY-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000175429297 510643226 /nfs/dbraw/zinc/64/32/26/510643226.db2.gz LDILKOMDKHYXEA-HNNXBMFYSA-N -1 3 356.444 2.859 20 5 FFBDHM O=C(Cc1ccc([O-])cc1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188539818 510815090 /nfs/dbraw/zinc/81/50/90/510815090.db2.gz GJGUURBBHPDKSK-UHFFFAOYSA-N -1 3 362.769 2.786 20 5 FFBDHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000294083101 510949761 /nfs/dbraw/zinc/94/97/61/510949761.db2.gz PYXXYKTWROQDQM-UHFFFAOYSA-N -1 3 355.397 2.816 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOC[C@H]2C)c1 ZINC000285569713 510960018 /nfs/dbraw/zinc/96/00/18/510960018.db2.gz KFESPLGVCYTNKR-MNOVXSKESA-N -1 3 362.835 2.508 20 5 FFBDHM Cc1nc(Sc2nnc([N-]CC(F)(F)F)s2)ncc1[N+](=O)[O-] ZINC000295526941 511434167 /nfs/dbraw/zinc/43/41/67/511434167.db2.gz MYTZDKHTOWWAGZ-UHFFFAOYSA-N -1 3 352.323 2.670 20 5 FFBDHM Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)N2CCCC2)cc1 ZINC000302997225 511722599 /nfs/dbraw/zinc/72/25/99/511722599.db2.gz GUHWTZIIHHJLFP-KRWDZBQOSA-N -1 3 370.409 2.571 20 5 FFBDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000325663394 511850067 /nfs/dbraw/zinc/85/00/67/511850067.db2.gz AQQKOZAYMKTNEQ-UHFFFAOYSA-N -1 3 352.368 2.524 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCc3cc(N)ccc32)cc1C ZINC000327115095 511869964 /nfs/dbraw/zinc/86/99/64/511869964.db2.gz CXNCCZZIXRSMHY-OAHLLOKOSA-N -1 3 361.423 2.760 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C1CCCCC1 ZINC000328154561 511885996 /nfs/dbraw/zinc/88/59/96/511885996.db2.gz OVOICKZPBCHLHW-NSHDSACASA-N -1 3 370.427 2.629 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC000390537381 512907577 /nfs/dbraw/zinc/90/75/77/512907577.db2.gz KLUKCCUACDGALI-CQSZACIVSA-N -1 3 356.382 2.765 20 5 FFBDHM CCc1c([N-]C(=O)c2ccc([N+](=O)[O-])c(NC)n2)onc1C(F)(F)F ZINC000412262211 513016180 /nfs/dbraw/zinc/01/61/80/513016180.db2.gz WDURMTRGFUOGCN-UHFFFAOYSA-N -1 3 359.264 2.853 20 5 FFBDHM CC(C)Oc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000412296809 513028903 /nfs/dbraw/zinc/02/89/03/513028903.db2.gz GBKIQNARJDAESL-AWEZNQCLSA-N -1 3 360.370 2.631 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000436162665 513779225 /nfs/dbraw/zinc/77/92/25/513779225.db2.gz FTHIHTVPBDPWSX-HNNXBMFYSA-N -1 3 368.386 2.708 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C ZINC000416514946 513812868 /nfs/dbraw/zinc/81/28/68/513812868.db2.gz JTHNWMGKOBTCAR-MEDUHNTESA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CS1 ZINC000416577598 513844048 /nfs/dbraw/zinc/84/40/48/513844048.db2.gz BERDREMSHHMHAP-CBAPKCEASA-N -1 3 370.374 2.786 20 5 FFBDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CC1 ZINC000416587231 513850144 /nfs/dbraw/zinc/85/01/44/513850144.db2.gz HWLHPRIFILJSBS-LRDDRELGSA-N -1 3 356.444 2.694 20 5 FFBDHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000416590909 513853244 /nfs/dbraw/zinc/85/32/44/513853244.db2.gz KEAIAPSKFHSQEJ-MLGOLLRUSA-N -1 3 356.444 2.694 20 5 FFBDHM COCC1CCC([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000416594403 513855886 /nfs/dbraw/zinc/85/58/86/513855886.db2.gz PDOLIRHDCFQOAD-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM CC(F)(F)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000451611555 513866236 /nfs/dbraw/zinc/86/62/36/513866236.db2.gz IWWJXZSYMQRCGV-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3)c([N+](=O)[O-])c1 ZINC000420448740 514150605 /nfs/dbraw/zinc/15/06/05/514150605.db2.gz WTYMEBAFUNDOGE-UHFFFAOYSA-N -1 3 361.423 2.740 20 5 FFBDHM Cc1ccc2c(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc([O-])c2n1 ZINC000427255638 514162975 /nfs/dbraw/zinc/16/29/75/514162975.db2.gz FUEBBUGNKZEZBG-UHFFFAOYSA-N -1 3 363.329 2.953 20 5 FFBDHM COc1cc(Br)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445142154 514427372 /nfs/dbraw/zinc/42/73/72/514427372.db2.gz HDWLVUXSRHLAAC-UHFFFAOYSA-N -1 3 368.143 2.719 20 5 FFBDHM CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000470771260 514602210 /nfs/dbraw/zinc/60/22/10/514602210.db2.gz DAYQQCWYXPKRGK-UHFFFAOYSA-N -1 3 372.443 2.774 20 5 FFBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000488887619 514621656 /nfs/dbraw/zinc/62/16/56/514621656.db2.gz DMRPTSFIROPGKZ-UHFFFAOYSA-N -1 3 373.793 2.778 20 5 FFBDHM COc1ccc(-c2nc([N-]C(=O)c3ccccc3[N+](=O)[O-])n[nH]2)c(OC)c1 ZINC000502466760 514659516 /nfs/dbraw/zinc/65/95/16/514659516.db2.gz UQUJSAJESYHWDC-UHFFFAOYSA-N -1 3 369.337 2.649 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@@H]2C2CC2)c1C ZINC000466567725 514694599 /nfs/dbraw/zinc/69/45/99/514694599.db2.gz QCPJQUVSNWXYRQ-SJORKVTESA-N -1 3 368.455 2.695 20 5 FFBDHM COc1cc(C(=O)[N-]c2sccc2S(C)(=O)=O)cc([N+](=O)[O-])c1C ZINC000480011155 514808602 /nfs/dbraw/zinc/80/86/02/514808602.db2.gz GHYYXRFZOXVSAM-UHFFFAOYSA-N -1 3 370.408 2.629 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467053731 514879727 /nfs/dbraw/zinc/87/97/27/514879727.db2.gz LTLAEXQDZQTLGE-SECBINFHSA-N -1 3 374.415 2.850 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(F)cc1F ZINC000508787564 514894266 /nfs/dbraw/zinc/89/42/66/514894266.db2.gz YSFMOVMVAQAKLK-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000480700826 515050967 /nfs/dbraw/zinc/05/09/67/515050967.db2.gz SXAIKJGZARAOSU-CYBMUJFWSA-N -1 3 366.370 2.763 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000462499825 515088323 /nfs/dbraw/zinc/08/83/23/515088323.db2.gz GRTZKYQVYJBNSA-HIFRSBDPSA-N -1 3 362.407 2.513 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(F)c1 ZINC000467778334 515113809 /nfs/dbraw/zinc/11/38/09/515113809.db2.gz PTAODKSKDAQWFN-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000456351954 515118844 /nfs/dbraw/zinc/11/88/44/515118844.db2.gz XMBFXIYBBJDAMO-OAHLLOKOSA-N -1 3 369.421 2.895 20 5 FFBDHM O=C(c1cc([O-])ccc1C(F)(F)F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000476612367 515127543 /nfs/dbraw/zinc/12/75/43/515127543.db2.gz PYEJYHINOOJFCO-UHFFFAOYSA-N -1 3 367.283 2.913 20 5 FFBDHM CN(C)c1cccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000499024708 515169838 /nfs/dbraw/zinc/16/98/38/515169838.db2.gz XHRKGZKWVFQUDM-UHFFFAOYSA-N -1 3 351.366 2.725 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCCC2 ZINC000462681835 515186587 /nfs/dbraw/zinc/18/65/87/515186587.db2.gz RHGLRZOTESJROK-LSDHHAIUSA-N -1 3 368.455 2.919 20 5 FFBDHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000481053109 515188433 /nfs/dbraw/zinc/18/84/33/515188433.db2.gz PWYUOOBYSHAGOF-UHFFFAOYSA-N -1 3 356.791 2.510 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccccc2N(C)C)c1[N+](=O)[O-] ZINC000481061408 515192367 /nfs/dbraw/zinc/19/23/67/515192367.db2.gz SARPXBXEFNDKCX-UHFFFAOYSA-N -1 3 363.439 2.756 20 5 FFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000462718960 515212333 /nfs/dbraw/zinc/21/23/33/515212333.db2.gz DEPKWTWVONRKTN-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000490624414 515264895 /nfs/dbraw/zinc/26/48/95/515264895.db2.gz AIXYGFIPZWGFDO-MNOVXSKESA-N -1 3 360.407 2.847 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000490630574 515267083 /nfs/dbraw/zinc/26/70/83/515267083.db2.gz ODNYEYXAGBESGS-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM CN1CC[C@@H](N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1ccccc1 ZINC000485990450 515286856 /nfs/dbraw/zinc/28/68/56/515286856.db2.gz NYSZWLQNCNURJC-SJORKVTESA-N -1 3 365.393 2.924 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2(C)CCC(C)CC2)cc1[N+](=O)[O-] ZINC000490750035 515296482 /nfs/dbraw/zinc/29/64/82/515296482.db2.gz GGYMLQKDEDNGHC-UHFFFAOYSA-N -1 3 360.407 2.990 20 5 FFBDHM Cn1nc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000481538020 515370033 /nfs/dbraw/zinc/37/00/33/515370033.db2.gz GPVIKEYONSPVNH-UHFFFAOYSA-N -1 3 364.774 2.753 20 5 FFBDHM O=C([N-]c1nc2n(n1)CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000457157576 515693465 /nfs/dbraw/zinc/69/34/65/515693465.db2.gz SBWLEHHRYOMLNS-UHFFFAOYSA-N -1 3 366.175 2.537 20 5 FFBDHM CCOC(=O)c1cc(C(=O)Nc2cc([O-])cc(OC)c2)cc([N+](=O)[O-])c1 ZINC000510900098 515709474 /nfs/dbraw/zinc/70/94/74/515709474.db2.gz CQSLZUZSBVYFSK-UHFFFAOYSA-N -1 3 360.322 2.738 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc2n[nH]cc2c1 ZINC000511053663 515759422 /nfs/dbraw/zinc/75/94/22/515759422.db2.gz WMTLKMKZIHSTSU-MRVPVSSYSA-N -1 3 352.397 2.572 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000479364703 516166786 /nfs/dbraw/zinc/16/67/86/516166786.db2.gz OTSKJPKIIBDUNQ-WFASDCNBSA-N -1 3 356.444 2.775 20 5 FFBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000561042741 516348354 /nfs/dbraw/zinc/34/83/54/516348354.db2.gz LWSCPLIBEQWKGN-UHFFFAOYSA-N -1 3 356.743 2.778 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000543859945 516465417 /nfs/dbraw/zinc/46/54/17/516465417.db2.gz KYOCDEWAEOACMV-UHFFFAOYSA-N -1 3 358.322 2.824 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000554710544 516599520 /nfs/dbraw/zinc/59/95/20/516599520.db2.gz QTOXRHOOGGSJKG-OAHLLOKOSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2c3ccc(F)cc3O[C@@H]2C)c([N+](=O)[O-])c1 ZINC000561559896 516653877 /nfs/dbraw/zinc/65/38/77/516653877.db2.gz VWGCDZLQJUHWQN-QLJPJBMISA-N -1 3 366.370 2.843 20 5 FFBDHM O=C1[N-]C(=O)c2cc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)ccc21 ZINC000551452351 516716140 /nfs/dbraw/zinc/71/61/40/516716140.db2.gz MFZFFMUNCFUNFG-UHFFFAOYSA-N -1 3 363.276 2.692 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@@H]2C)cc1[N+](=O)[O-] ZINC000561724819 516733270 /nfs/dbraw/zinc/73/32/70/516733270.db2.gz SBQDRDOXUHBAPA-XLKFXECMSA-N -1 3 354.409 2.765 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000548143564 516791447 /nfs/dbraw/zinc/79/14/47/516791447.db2.gz ZVUUZXUASCHCIT-UHFFFAOYSA-N -1 3 350.400 2.513 20 5 FFBDHM COc1ccccc1[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000525701979 517125137 /nfs/dbraw/zinc/12/51/37/517125137.db2.gz GCNMUSGENXPZMR-SJORKVTESA-N -1 3 362.407 2.612 20 5 FFBDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000545386461 517214092 /nfs/dbraw/zinc/21/40/92/517214092.db2.gz SSIFJYPVBHXPBL-FZMZJTMJSA-N -1 3 350.396 2.931 20 5 FFBDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000548994401 517345679 /nfs/dbraw/zinc/34/56/79/517345679.db2.gz FYOSWYSKPSBIFX-UHFFFAOYSA-N -1 3 362.317 2.732 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000515474956 517367936 /nfs/dbraw/zinc/36/79/36/517367936.db2.gz BJISECHJTQFEML-LBPRGKRZSA-N -1 3 352.334 2.831 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000553079755 517513235 /nfs/dbraw/zinc/51/32/35/517513235.db2.gz FJUUVYQQJKOJQA-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM Cc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)nn1C(F)F ZINC000560187098 517630536 /nfs/dbraw/zinc/63/05/36/517630536.db2.gz HTVJCOALDSOIEH-UHFFFAOYSA-N -1 3 362.296 2.559 20 5 FFBDHM COc1ccc(CSCC(=O)N=c2cc3ccccn3[n-]2)cc1[N+](=O)[O-] ZINC000553317919 517643113 /nfs/dbraw/zinc/64/31/13/517643113.db2.gz UFTPKSCOUJBQMD-UHFFFAOYSA-N -1 3 372.406 2.545 20 5 FFBDHM Cc1cc(NCCCCN2C[C@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516473739 517704222 /nfs/dbraw/zinc/70/42/22/517704222.db2.gz WLNBZCWIRFLCES-KBPBESRZSA-N -1 3 365.430 2.903 20 5 FFBDHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000521770209 517849801 /nfs/dbraw/zinc/84/98/01/517849801.db2.gz JNQHIFOCPJMJFS-NSHDSACASA-N -1 3 366.395 2.652 20 5 FFBDHM CSc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccn1 ZINC000538975060 517871768 /nfs/dbraw/zinc/87/17/68/517871768.db2.gz WXJJHFXUYTYFBI-UHFFFAOYSA-N -1 3 373.843 2.844 20 5 FFBDHM O=C(NCCCNc1ncnc2sc([N+](=O)[O-])cc21)c1cccc([O-])c1 ZINC000557570189 518082643 /nfs/dbraw/zinc/08/26/43/518082643.db2.gz XGSRXKSJZSUSPI-UHFFFAOYSA-N -1 3 373.394 2.537 20 5 FFBDHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000584724909 518449152 /nfs/dbraw/zinc/44/91/52/518449152.db2.gz JRTHFTMPDOLNTM-WQVCFCJDSA-N -1 3 357.366 2.935 20 5 FFBDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000579245550 518591894 /nfs/dbraw/zinc/59/18/94/518591894.db2.gz PBZFXOQUCSEJJX-UHFFFAOYSA-N -1 3 354.366 2.773 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000576758591 518748587 /nfs/dbraw/zinc/74/85/87/518748587.db2.gz YMSFSYCMRYWGIS-WFASDCNBSA-N -1 3 356.382 2.935 20 5 FFBDHM COc1cc(CN2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000565111557 518793584 /nfs/dbraw/zinc/79/35/84/518793584.db2.gz APVVSFMGRFGYDL-MRXNPFEDSA-N -1 3 374.340 2.544 20 5 FFBDHM O=C([O-])c1cnc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000567979927 518811671 /nfs/dbraw/zinc/81/16/71/518811671.db2.gz DCGJSDJJADLXFU-CYBMUJFWSA-N -1 3 362.411 2.999 20 5 FFBDHM O=C([O-])c1cnc(NC[C@@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000567979928 518812018 /nfs/dbraw/zinc/81/20/18/518812018.db2.gz DCGJSDJJADLXFU-ZDUSSCGKSA-N -1 3 362.411 2.999 20 5 FFBDHM Cc1cc(NC2CCN(CCOC(C)C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568517291 519081394 /nfs/dbraw/zinc/08/13/94/519081394.db2.gz GUEDLSJCZQHDFY-UHFFFAOYSA-N -1 3 365.430 2.903 20 5 FFBDHM CC(C)[C@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000568757717 519200409 /nfs/dbraw/zinc/20/04/09/519200409.db2.gz HQGXWOCXUAZMHQ-KRWDZBQOSA-N -1 3 360.370 2.578 20 5 FFBDHM COCCN(CC(=O)[O-])Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000591269775 519566797 /nfs/dbraw/zinc/56/67/97/519566797.db2.gz ZTYCXEPKDBAYTR-UHFFFAOYSA-N -1 3 373.409 2.896 20 5 FFBDHM CC[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)CC(F)(F)F ZINC000591331890 519593532 /nfs/dbraw/zinc/59/35/32/519593532.db2.gz JKABZMLZJJXPFC-SECBINFHSA-N -1 3 370.349 2.860 20 5 FFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1F ZINC000594831693 520178961 /nfs/dbraw/zinc/17/89/61/520178961.db2.gz VKLIUXAWTUOUQR-OAHLLOKOSA-N -1 3 353.375 2.805 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1Cc2ccccc2[C@@H]1C ZINC000594834143 520179874 /nfs/dbraw/zinc/17/98/74/520179874.db2.gz RQMWAQXYPHPVRV-XHDPSFHLSA-N -1 3 362.407 2.610 20 5 FFBDHM COCc1csc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000594849381 520188037 /nfs/dbraw/zinc/18/80/37/520188037.db2.gz ALSNKZVURRVGFE-UHFFFAOYSA-N -1 3 370.452 2.898 20 5 FFBDHM Cc1cc(N2CCc3c(=O)[n-]n(C)c3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000603416283 520254372 /nfs/dbraw/zinc/25/43/72/520254372.db2.gz SHPBEEZIXGYPDL-UHFFFAOYSA-N -1 3 356.304 2.924 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000603491772 520284880 /nfs/dbraw/zinc/28/48/80/520284880.db2.gz HTQJRAHPDACSJW-UHFFFAOYSA-N -1 3 351.167 2.973 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C1CCC(F)CC1 ZINC000595359183 520429389 /nfs/dbraw/zinc/42/93/89/520429389.db2.gz HTELZIZMSKSPRH-VOMCLLRMSA-N -1 3 360.407 2.799 20 5 FFBDHM COc1cccc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000604042862 520435197 /nfs/dbraw/zinc/43/51/97/520435197.db2.gz YKBFIDBJSIREDW-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000598195883 520486058 /nfs/dbraw/zinc/48/60/58/520486058.db2.gz VLUZDVLRMFKEQI-QGZVFWFLSA-N -1 3 369.421 2.689 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)c(F)c1 ZINC000610086114 520534157 /nfs/dbraw/zinc/53/41/57/520534157.db2.gz FYNGHNYOSRQJQM-UHFFFAOYSA-N -1 3 368.361 2.883 20 5 FFBDHM Cc1cc(NCCCN2CCCO[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592977439 520668583 /nfs/dbraw/zinc/66/85/83/520668583.db2.gz CDZNKLQGWWWCET-ZDUSSCGKSA-N -1 3 351.403 2.514 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000610518513 520725128 /nfs/dbraw/zinc/72/51/28/520725128.db2.gz XBEABFBCTDUDOY-SNVBAGLBSA-N -1 3 355.803 2.725 20 5 FFBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598604417 520736981 /nfs/dbraw/zinc/73/69/81/520736981.db2.gz NMFQHZKQENIMTI-HNNXBMFYSA-N -1 3 364.423 2.532 20 5 FFBDHM COc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC(F)F ZINC000596106701 520916001 /nfs/dbraw/zinc/91/60/01/520916001.db2.gz UQYPCMMKNPRVGG-UHFFFAOYSA-N -1 3 355.297 2.960 20 5 FFBDHM O=c1[n-]ccc(N2CCCN(c3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000596225962 520980657 /nfs/dbraw/zinc/98/06/57/520980657.db2.gz LCTCLJFXTGSBGU-UHFFFAOYSA-N -1 3 350.325 2.690 20 5 FFBDHM O=[N+]([O-])c1ccc2[nH]nc(NC([O-])=C(C[C@H]3CCCO3)C(F)(F)F)c2c1 ZINC000593560662 521077586 /nfs/dbraw/zinc/07/75/86/521077586.db2.gz WBNFYRAERDSOML-MWLCHTKSSA-N -1 3 372.303 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)nc1 ZINC000593592583 521096134 /nfs/dbraw/zinc/09/61/34/521096134.db2.gz WBTVDBVEVRDGJG-GXTWGEPZSA-N -1 3 365.386 2.744 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1SC ZINC000593623532 521114646 /nfs/dbraw/zinc/11/46/46/521114646.db2.gz MKPLGRMLYWYBJD-ZYHUDNBSSA-N -1 3 360.457 2.556 20 5 FFBDHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000611527505 521203803 /nfs/dbraw/zinc/20/38/03/521203803.db2.gz HURODTPMTMXKHS-UHFFFAOYSA-N -1 3 355.379 2.872 20 5 FFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)OCCCO3)s1 ZINC000611918555 521392012 /nfs/dbraw/zinc/39/20/12/521392012.db2.gz BYOYBECQJLVNGA-UHFFFAOYSA-N -1 3 370.408 2.965 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000619475415 521587708 /nfs/dbraw/zinc/58/77/08/521587708.db2.gz VISCZEQACJDLOA-NSHDSACASA-N -1 3 352.368 2.552 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1ccccc1 ZINC000619479108 521590199 /nfs/dbraw/zinc/59/01/99/521590199.db2.gz PMEDFXJDANTXEO-UHFFFAOYSA-N -1 3 350.396 2.817 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000619484047 521592410 /nfs/dbraw/zinc/59/24/10/521592410.db2.gz NPSDLNZUTYZPDF-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000619484238 521592620 /nfs/dbraw/zinc/59/26/20/521592620.db2.gz GBQGSWDDZNBOHO-UHFFFAOYSA-N -1 3 356.425 2.879 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)nc1 ZINC000619496680 521598180 /nfs/dbraw/zinc/59/81/80/521598180.db2.gz BZGXPMPWEYQUFA-UHFFFAOYSA-N -1 3 365.411 2.520 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCCN(c2ccccc2)C1 ZINC000738358465 599059289 /nfs/dbraw/zinc/05/92/89/599059289.db2.gz MKZYIFFSBUJDSK-AWEZNQCLSA-N -1 3 365.397 2.856 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1CCCN(c2ccccc2)C1 ZINC000738358465 599059292 /nfs/dbraw/zinc/05/92/92/599059292.db2.gz MKZYIFFSBUJDSK-AWEZNQCLSA-N -1 3 365.397 2.856 20 5 FFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(C)nn(C)c1C ZINC000820926398 599084841 /nfs/dbraw/zinc/08/48/41/599084841.db2.gz SSTKUUAIKQNDBO-ZDUSSCGKSA-N -1 3 356.390 2.688 20 5 FFBDHM CC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000820926398 599084844 /nfs/dbraw/zinc/08/48/44/599084844.db2.gz SSTKUUAIKQNDBO-ZDUSSCGKSA-N -1 3 356.390 2.688 20 5 FFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000736635054 599184569 /nfs/dbraw/zinc/18/45/69/599184569.db2.gz SAVBOWDJKAOMTQ-UHFFFAOYSA-N -1 3 368.353 2.734 20 5 FFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000736635054 599184572 /nfs/dbraw/zinc/18/45/72/599184572.db2.gz SAVBOWDJKAOMTQ-UHFFFAOYSA-N -1 3 368.353 2.734 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCCOCC3CC3)cc(-c3nnn[n-]3)c2c1 ZINC000738366578 599260389 /nfs/dbraw/zinc/26/03/89/599260389.db2.gz FHWSKHWROYQDRN-UHFFFAOYSA-N -1 3 369.385 2.552 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCCCOCC3CC3)cc(-c3nn[n-]n3)c2c1 ZINC000738366578 599260392 /nfs/dbraw/zinc/26/03/92/599260392.db2.gz FHWSKHWROYQDRN-UHFFFAOYSA-N -1 3 369.385 2.552 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738370927 598428081 /nfs/dbraw/zinc/42/80/81/598428081.db2.gz SOYYRBGVDQBKJZ-NSHDSACASA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738370927 598428082 /nfs/dbraw/zinc/42/80/82/598428082.db2.gz SOYYRBGVDQBKJZ-NSHDSACASA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738370163 598459286 /nfs/dbraw/zinc/45/92/86/598459286.db2.gz RFGBSCOTWGGLQT-CQSZACIVSA-N -1 3 365.397 2.944 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CCC[C@@H](c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738370163 598459287 /nfs/dbraw/zinc/45/92/87/598459287.db2.gz RFGBSCOTWGGLQT-CQSZACIVSA-N -1 3 365.397 2.944 20 5 FFBDHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737041073 598483703 /nfs/dbraw/zinc/48/37/03/598483703.db2.gz KWQRJYGYPFDYFS-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737041073 598483705 /nfs/dbraw/zinc/48/37/05/598483705.db2.gz KWQRJYGYPFDYFS-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738165259 598598683 /nfs/dbraw/zinc/59/86/83/598598683.db2.gz AVAJKLSPYMBUHY-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000738165259 598598686 /nfs/dbraw/zinc/59/86/86/598598686.db2.gz AVAJKLSPYMBUHY-UHFFFAOYSA-N -1 3 367.300 2.648 20 5 FFBDHM C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736117573 598616686 /nfs/dbraw/zinc/61/66/86/598616686.db2.gz QGGRDPPRSXVEJE-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736117573 598616687 /nfs/dbraw/zinc/61/66/87/598616687.db2.gz QGGRDPPRSXVEJE-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000738367966 598680334 /nfs/dbraw/zinc/68/03/34/598680334.db2.gz ADJDDJYBMNAENF-LLVKDONJSA-N -1 3 371.788 2.817 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC[C@@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000738367966 598680335 /nfs/dbraw/zinc/68/03/35/598680335.db2.gz ADJDDJYBMNAENF-LLVKDONJSA-N -1 3 371.788 2.817 20 5 FFBDHM CCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503626 599310964 /nfs/dbraw/zinc/31/09/64/599310964.db2.gz YYFOPEDIGMPAOJ-LFYBBSHMSA-N -1 3 364.365 2.841 20 5 FFBDHM CCN(C(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503626 599310967 /nfs/dbraw/zinc/31/09/67/599310967.db2.gz YYFOPEDIGMPAOJ-LFYBBSHMSA-N -1 3 364.365 2.841 20 5 FFBDHM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820390633 599498889 /nfs/dbraw/zinc/49/88/89/599498889.db2.gz JMNBENFYUUSMIR-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820390633 599498892 /nfs/dbraw/zinc/49/88/92/599498892.db2.gz JMNBENFYUUSMIR-SECBINFHSA-N -1 3 372.772 2.919 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821882871 599586156 /nfs/dbraw/zinc/58/61/56/599586156.db2.gz MRARFTHWQKBGIM-SJLPKXTDSA-N -1 3 366.381 2.926 20 5 FFBDHM COc1ccccc1[C@@]1(C)C[C@H]1Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821882871 599586158 /nfs/dbraw/zinc/58/61/58/599586158.db2.gz MRARFTHWQKBGIM-SJLPKXTDSA-N -1 3 366.381 2.926 20 5 FFBDHM N=C(COc1cccc(C(=O)[O-])c1)NOCc1c(F)cccc1[N+](=O)[O-] ZINC000833088940 601352590 /nfs/dbraw/zinc/35/25/90/601352590.db2.gz KTZFFKRLENCECN-UHFFFAOYSA-N -1 3 363.301 2.510 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832958712 601657228 /nfs/dbraw/zinc/65/72/28/601657228.db2.gz NWSZOPPJWLDUON-UGSOOPFHSA-N -1 3 371.393 2.893 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)o1 ZINC000826260228 607523093 /nfs/dbraw/zinc/52/30/93/607523093.db2.gz BYCAVNJAURNDEH-UHFFFAOYSA-N -1 3 362.733 2.890 20 5 FFBDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)o1 ZINC000826260228 607523095 /nfs/dbraw/zinc/52/30/95/607523095.db2.gz BYCAVNJAURNDEH-UHFFFAOYSA-N -1 3 362.733 2.890 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000824029840 607536884 /nfs/dbraw/zinc/53/68/84/607536884.db2.gz QVTGMRSYLNXPNL-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000824029840 607536886 /nfs/dbraw/zinc/53/68/86/607536886.db2.gz QVTGMRSYLNXPNL-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM O=[N+]([O-])c1cc(N2CCC[C@@H]2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000826498422 607636225 /nfs/dbraw/zinc/63/62/25/607636225.db2.gz UEWSTIHXOBIATF-CQSZACIVSA-N -1 3 350.382 2.986 20 5 FFBDHM O=C([O-])[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1 ZINC000833167156 604771005 /nfs/dbraw/zinc/77/10/05/604771005.db2.gz YTWHLKNSDBGBMT-LBPRGKRZSA-N -1 3 359.169 2.514 20 5 FFBDHM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409157 604931738 /nfs/dbraw/zinc/93/17/38/604931738.db2.gz KKEYJUQPECHSHG-OLZOCXBDSA-N -1 3 363.414 2.745 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513395 606351288 /nfs/dbraw/zinc/35/12/88/606351288.db2.gz YZYDGMPKHSIXPM-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513395 606351290 /nfs/dbraw/zinc/35/12/90/606351290.db2.gz YZYDGMPKHSIXPM-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000820767127 606645507 /nfs/dbraw/zinc/64/55/07/606645507.db2.gz GKTCOXQEVQFTTB-PXAZEXFGSA-N -1 3 366.381 2.741 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822271297 606655828 /nfs/dbraw/zinc/65/58/28/606655828.db2.gz VUVARRNANZDWBA-UHFFFAOYSA-N -1 3 366.381 2.963 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000822271297 606655829 /nfs/dbraw/zinc/65/58/29/606655829.db2.gz VUVARRNANZDWBA-UHFFFAOYSA-N -1 3 366.381 2.963 20 5 FFBDHM O=[N+]([O-])c1ccc(Nc2cnn(-c3ccccc3F)c2)c(-c2nnn[n-]2)c1 ZINC000823645507 606734200 /nfs/dbraw/zinc/73/42/00/606734200.db2.gz RWLHTHGCFUVZEL-UHFFFAOYSA-N -1 3 366.316 2.843 20 5 FFBDHM O=[N+]([O-])c1ccc(Nc2cnn(-c3ccccc3F)c2)c(-c2nn[n-]n2)c1 ZINC000823645507 606734202 /nfs/dbraw/zinc/73/42/02/606734202.db2.gz RWLHTHGCFUVZEL-UHFFFAOYSA-N -1 3 366.316 2.843 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1COc2ccc(Cl)cc21 ZINC000823629570 606790400 /nfs/dbraw/zinc/79/04/00/606790400.db2.gz AGQAVVYXNOTBTH-LBPRGKRZSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H]1COc2ccc(Cl)cc21 ZINC000823629570 606790402 /nfs/dbraw/zinc/79/04/02/606790402.db2.gz AGQAVVYXNOTBTH-LBPRGKRZSA-N -1 3 358.745 2.974 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCc1ccccc1[N+](=O)[O-] ZINC000822936220 606824634 /nfs/dbraw/zinc/82/46/34/606824634.db2.gz SVZHFOPBMZCLIP-MDZDMXLPSA-N -1 3 365.349 2.574 20 5 FFBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCc1ccccc1[N+](=O)[O-] ZINC000822936220 606824635 /nfs/dbraw/zinc/82/46/35/606824635.db2.gz SVZHFOPBMZCLIP-MDZDMXLPSA-N -1 3 365.349 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCc2ccc(F)c(F)c2C1 ZINC000823629828 607131779 /nfs/dbraw/zinc/13/17/79/607131779.db2.gz IZDIUIWETPMNBV-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCc2ccc(F)c(F)c2C1 ZINC000823629828 607131781 /nfs/dbraw/zinc/13/17/81/607131781.db2.gz IZDIUIWETPMNBV-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3ccc(F)c(F)c3C2)c(-c2nnn[n-]2)c1 ZINC000823640222 607132115 /nfs/dbraw/zinc/13/21/15/607132115.db2.gz YDXNJVIPFHFDSO-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCc3ccc(F)c(F)c3C2)c(-c2nn[n-]n2)c1 ZINC000823640222 607132116 /nfs/dbraw/zinc/13/21/16/607132116.db2.gz YDXNJVIPFHFDSO-UHFFFAOYSA-N -1 3 358.308 2.616 20 5 FFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823450006 607249117 /nfs/dbraw/zinc/24/91/17/607249117.db2.gz HNUWVXXRTDLKRG-UHFFFAOYSA-N -1 3 369.268 2.879 20 5 FFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823450006 607249118 /nfs/dbraw/zinc/24/91/18/607249118.db2.gz HNUWVXXRTDLKRG-UHFFFAOYSA-N -1 3 369.268 2.879 20 5 FFBDHM O=[N+]([O-])c1ccc(CSc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826498544 607820897 /nfs/dbraw/zinc/82/08/97/607820897.db2.gz ZYFOKTKHAQGIKM-UHFFFAOYSA-N -1 3 358.339 2.975 20 5 FFBDHM O=[N+]([O-])c1ccc(CSc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000826498544 607820898 /nfs/dbraw/zinc/82/08/98/607820898.db2.gz ZYFOKTKHAQGIKM-UHFFFAOYSA-N -1 3 358.339 2.975 20 5 FFBDHM Cc1nn(CN(C)c2ccccc2-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc12 ZINC000826335122 608054223 /nfs/dbraw/zinc/05/42/23/608054223.db2.gz ZFIQPLIUVGQUOG-UHFFFAOYSA-N -1 3 364.369 2.527 20 5 FFBDHM Cc1nn(CN(C)c2ccccc2-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc12 ZINC000826335122 608054224 /nfs/dbraw/zinc/05/42/24/608054224.db2.gz ZFIQPLIUVGQUOG-UHFFFAOYSA-N -1 3 364.369 2.527 20 5 FFBDHM CCCC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000825248485 608162740 /nfs/dbraw/zinc/16/27/40/608162740.db2.gz UHQNBYYNDJWPRW-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM CCCC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CC1 ZINC000825248485 608162742 /nfs/dbraw/zinc/16/27/42/608162742.db2.gz UHQNBYYNDJWPRW-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826272740 608446642 /nfs/dbraw/zinc/44/66/42/608446642.db2.gz ZCWDMEBKGWQCLV-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826272740 608446643 /nfs/dbraw/zinc/44/66/43/608446643.db2.gz ZCWDMEBKGWQCLV-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(F)cc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826498123 608530041 /nfs/dbraw/zinc/53/00/41/608530041.db2.gz IEINJFOWXXMGLV-UHFFFAOYSA-N -1 3 354.345 2.693 20 5 FFBDHM CC(C)[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000824342059 608539192 /nfs/dbraw/zinc/53/91/92/608539192.db2.gz KVYWUKJRBABHSQ-ZDUSSCGKSA-N -1 3 362.390 2.553 20 5 FFBDHM CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000824342059 608539194 /nfs/dbraw/zinc/53/91/94/608539194.db2.gz KVYWUKJRBABHSQ-ZDUSSCGKSA-N -1 3 362.390 2.553 20 5 FFBDHM CO[C@@H]1Cc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2C1 ZINC000826147467 609593081 /nfs/dbraw/zinc/59/30/81/609593081.db2.gz YMHPQCYYONQABX-CQSZACIVSA-N -1 3 352.354 2.632 20 5 FFBDHM CO[C@@H]1Cc2ccc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2C1 ZINC000826147467 609593082 /nfs/dbraw/zinc/59/30/82/609593082.db2.gz YMHPQCYYONQABX-CQSZACIVSA-N -1 3 352.354 2.632 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)c(Cl)c1 ZINC000119796216 728600572 /nfs/dbraw/zinc/60/05/72/728600572.db2.gz MURKVWAMHOGRIH-UHFFFAOYSA-N -1 3 362.194 2.775 20 5 FFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Br)cc1[O-] ZINC000126205684 728695641 /nfs/dbraw/zinc/69/56/41/728695641.db2.gz FOFWVVGOBQLNEO-UHFFFAOYSA-N -1 3 369.175 2.597 20 5 FFBDHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000134491762 728730543 /nfs/dbraw/zinc/73/05/43/728730543.db2.gz OJKHWTXTEYBSEB-AWEZNQCLSA-N -1 3 370.814 2.569 20 5 FFBDHM CN1CCc2c(cccc2S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)C1 ZINC000886399539 733782867 /nfs/dbraw/zinc/78/28/67/733782867.db2.gz ZYMIEHURIHBCQC-UHFFFAOYSA-N -1 3 365.386 2.523 20 5 FFBDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742293779 735220855 /nfs/dbraw/zinc/22/08/55/735220855.db2.gz SNITXNBASOARES-LDYMZIIASA-N -1 3 363.233 2.824 20 5 FFBDHM O=C([N-]OC[C@@H]1CCOC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897530584 735242934 /nfs/dbraw/zinc/24/29/34/735242934.db2.gz LWYOPWYSZAXHSN-ZCFIWIBFSA-N -1 3 353.133 2.739 20 5 FFBDHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2c(cc1[O-])OCO2 ZINC000757426654 736405376 /nfs/dbraw/zinc/40/53/76/736405376.db2.gz WFEZIIRVCNPIRV-UHFFFAOYSA-N -1 3 350.714 2.613 20 5 FFBDHM O=C([N-][C@H](CO)c1cccc(F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778421926 738381707 /nfs/dbraw/zinc/38/17/07/738381707.db2.gz IYGLSLBNELXUTH-CQSZACIVSA-N -1 3 354.284 2.676 20 5 FFBDHM O=C(c1cc([O-])ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788261297 739225178 /nfs/dbraw/zinc/22/51/78/739225178.db2.gz LZEIXVICJAXAEC-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000800052035 740478691 /nfs/dbraw/zinc/47/86/91/740478691.db2.gz YHCFIAVTLSBJCB-UHFFFAOYSA-N -1 3 366.326 2.514 20 5 FFBDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832366030 745684567 /nfs/dbraw/zinc/68/45/67/745684567.db2.gz YDVOWSUDFHVHOR-LLVKDONJSA-N -1 3 353.227 2.847 20 5 FFBDHM O=C([N-]C[C@H]1CC1(Cl)Cl)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580419 748964861 /nfs/dbraw/zinc/96/48/61/748964861.db2.gz RIQVBUKTHYHIBD-SSDOTTSWSA-N -1 3 355.124 2.876 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853250953 750038241 /nfs/dbraw/zinc/03/82/41/750038241.db2.gz HUONQZGMSGTMTA-UHFFFAOYSA-N -1 3 352.391 2.754 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC000056108498 845351308 /nfs/dbraw/zinc/35/13/08/845351308.db2.gz UWRVZAUYKSFAHZ-VIFPVBQESA-N -1 3 369.330 2.682 20 5 FFBDHM CC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000785096374 945271052 /nfs/dbraw/zinc/27/10/52/945271052.db2.gz AJRWCAPSFMGPNQ-LUAWRHEFSA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000785096374 945271059 /nfs/dbraw/zinc/27/10/59/945271059.db2.gz AJRWCAPSFMGPNQ-LUAWRHEFSA-N -1 3 350.338 2.817 20 5 FFBDHM CCCc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)o1 ZINC001211846160 965057621 /nfs/dbraw/zinc/05/76/21/965057621.db2.gz MXAUCPRFDFBPET-UHFFFAOYSA-N -1 3 373.818 2.976 20 5 FFBDHM Cc1ccccc1C(=O)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001213404045 967935806 /nfs/dbraw/zinc/93/58/06/967935806.db2.gz ALZNXTLUYYDNLO-UHFFFAOYSA-N -1 3 366.370 2.512 20 5 FFBDHM O=C(CCN1CCc2ccccc2C1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837687536 974777519 /nfs/dbraw/zinc/77/75/19/974777519.db2.gz WLEGKDGCJZPYJG-UHFFFAOYSA-N -1 3 356.378 2.792 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCCc2c(=O)[n-]cnc21 ZINC001132572923 995008963 /nfs/dbraw/zinc/00/89/63/995008963.db2.gz OKPDLBZUESZIHG-UHFFFAOYSA-N -1 3 368.271 2.702 20 5 FFBDHM COc1cc(CNc2ccc(C(=O)N(C)OC)cc2)c([N+](=O)[O-])cc1[O-] ZINC000811839930 995267367 /nfs/dbraw/zinc/26/73/67/995267367.db2.gz JPRLVSAPLLDBKL-UHFFFAOYSA-N -1 3 361.354 2.555 20 5 FFBDHM O=C([O-])Cc1ccc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000844206896 997725449 /nfs/dbraw/zinc/72/54/49/997725449.db2.gz NZKSWFNGOVZUHZ-UHFFFAOYSA-N -1 3 369.421 2.934 20 5 FFBDHM COc1c([O-])ccc(C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599344406 997977288 /nfs/dbraw/zinc/97/72/88/997977288.db2.gz HXOSPPBEADXRCW-WFASDCNBSA-N -1 3 374.393 2.731 20 5 FFBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001187156287 1003569695 /nfs/dbraw/zinc/56/96/95/1003569695.db2.gz KSSQNOGXSUTYBF-VIFPVBQESA-N -1 3 371.390 2.557 20 5 FFBDHM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001187156286 1003569759 /nfs/dbraw/zinc/56/97/59/1003569759.db2.gz KSSQNOGXSUTYBF-SECBINFHSA-N -1 3 371.390 2.557 20 5 FFBDHM O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)nc(N3CCOCC3)c2)c1 ZINC001199818921 1005025688 /nfs/dbraw/zinc/02/56/88/1005025688.db2.gz HEUPLMVHSAMPCE-UHFFFAOYSA-N -1 3 350.762 2.929 20 5 FFBDHM CCOC(=O)C=Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000776428930 1005667352 /nfs/dbraw/zinc/66/73/52/1005667352.db2.gz AFHWRMHKJKYXFI-YVMONPNESA-N -1 3 357.322 2.524 20 5 FFBDHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853443663 1006392022 /nfs/dbraw/zinc/39/20/22/1006392022.db2.gz DPKAXYFEKVBEPL-NEPJUHHUSA-N -1 3 366.418 2.825 20 5 FFBDHM O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC000026949913 1006686320 /nfs/dbraw/zinc/68/63/20/1006686320.db2.gz WZSDAZUHESMYCB-UHFFFAOYSA-N -1 3 370.390 2.629 20 5 FFBDHM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])N1CCc2ccccc2C1 ZINC001136423832 1008422749 /nfs/dbraw/zinc/42/27/49/1008422749.db2.gz YFPCULXSUPPFCT-UHFFFAOYSA-N -1 3 369.421 2.867 20 5 FFBDHM Cc1cc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)ccn1 ZINC001212838685 1009481174 /nfs/dbraw/zinc/48/11/74/1009481174.db2.gz YOEMYTRMOJPCLE-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1cc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)ccn1 ZINC001212838685 1009481181 /nfs/dbraw/zinc/48/11/81/1009481181.db2.gz YOEMYTRMOJPCLE-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)cc1[N+](=O)[O-] ZINC001212844528 1009559637 /nfs/dbraw/zinc/55/96/37/1009559637.db2.gz YPLMRHBXHKIYSW-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM Cn1c(-c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1N1CC[C@H]2CCCC[C@H]2C1 ZINC001122988586 1023586431 /nfs/dbraw/zinc/58/64/31/1023586431.db2.gz CJLZDNKEEKRRPT-NEPJUHHUSA-N -1 3 358.402 2.507 20 5 FFBDHM COC(=O)c1sccc1[N-]C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001124464009 1024333297 /nfs/dbraw/zinc/33/32/97/1024333297.db2.gz JDOMBDQWRWPRHD-UHFFFAOYSA-N -1 3 354.315 2.843 20 5 FFBDHM O=C(Nc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1)c1ccccn1 ZINC001162216031 1028472146 /nfs/dbraw/zinc/47/21/46/1028472146.db2.gz INLWGIHCEHCEBN-UHFFFAOYSA-N -1 3 365.349 2.955 20 5 FFBDHM COC(=O)c1ccnc([N-][C@@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001156158846 1029069126 /nfs/dbraw/zinc/06/91/26/1029069126.db2.gz JDVVDJUJKBPDIW-NSHDSACASA-N -1 3 356.260 2.887 20 5 FFBDHM COC(=O)CCCc1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001534420267 1069645610 /nfs/dbraw/zinc/64/56/10/1069645610.db2.gz QGFNYSBHNKALDS-UHFFFAOYSA-N -1 3 367.358 2.938 20 5 FFBDHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001227097284 1034933667 /nfs/dbraw/zinc/93/36/67/1034933667.db2.gz ZTUXOHVLPDFPFF-AWEZNQCLSA-N -1 3 355.306 2.537 20 5 FFBDHM CCOC(=O)c1noc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C ZINC001536364089 1069961886 /nfs/dbraw/zinc/96/18/86/1069961886.db2.gz OWLIYNPLTNJXOK-UHFFFAOYSA-N -1 3 351.290 2.768 20 5 FFBDHM CC[NH+]1CCC(Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)CC1 ZINC001234125646 1036929593 /nfs/dbraw/zinc/92/95/93/1036929593.db2.gz VMHUKXORYMKPPS-UHFFFAOYSA-N -1 3 371.389 2.926 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)C1 ZINC001231121350 1037479473 /nfs/dbraw/zinc/47/94/73/1037479473.db2.gz KPNZYKRHJGRHHK-ZDUSSCGKSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)C1 ZINC001231121350 1037479482 /nfs/dbraw/zinc/47/94/82/1037479482.db2.gz KPNZYKRHJGRHHK-ZDUSSCGKSA-N -1 3 370.344 2.572 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)COc2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC001208474022 1038339969 /nfs/dbraw/zinc/33/99/69/1038339969.db2.gz NUNKUEOHVJAFES-SECBINFHSA-N -1 3 374.415 2.850 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2cnccc2o1 ZINC001213502053 1040614270 /nfs/dbraw/zinc/61/42/70/1040614270.db2.gz SHZXCBDWFRQXOY-SECBINFHSA-N -1 3 365.342 2.915 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(CC2CCC2)c1 ZINC001213996330 1041144307 /nfs/dbraw/zinc/14/43/07/1041144307.db2.gz UAOYKXRDGHYEBK-GFCCVEGCSA-N -1 3 364.427 2.631 20 5 FFBDHM COC(=O)c1cnc([N-]c2c(F)ccc([N+](=O)[O-])c2F)c(C(=O)OC)c1 ZINC001215291744 1041726820 /nfs/dbraw/zinc/72/68/20/1041726820.db2.gz FMVHQYNQIKXKPW-UHFFFAOYSA-N -1 3 367.264 2.585 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001301884956 1051011304 /nfs/dbraw/zinc/01/13/04/1051011304.db2.gz MUCHOQZEUWVOLO-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001301884956 1051011313 /nfs/dbraw/zinc/01/13/13/1051011313.db2.gz MUCHOQZEUWVOLO-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM CCn1c(C)cc2n[n-]c(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)c2c1=O ZINC001306863977 1052204241 /nfs/dbraw/zinc/20/42/41/1052204241.db2.gz CISUISHZAFFBQA-UHFFFAOYSA-N -1 3 355.354 2.522 20 5 FFBDHM COc1cc(CNc2ccc(-n3nncc3C)cc2)c([N+](=O)[O-])cc1[O-] ZINC001308446789 1052457726 /nfs/dbraw/zinc/45/77/26/1052457726.db2.gz FIZYKVCGATUKLT-UHFFFAOYSA-N -1 3 355.354 2.810 20 5 FFBDHM COC(=O)[C@@H](NCc1ccc([O-])c(OC)c1[N+](=O)[O-])c1ccc(C)c(C)c1 ZINC001308704443 1052489054 /nfs/dbraw/zinc/48/90/54/1052489054.db2.gz FRAFRSMCPUNEJB-INIZCTEOSA-N -1 3 374.393 2.930 20 5 FFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1sccc1-n1ccnn1 ZINC001351888191 1055043251 /nfs/dbraw/zinc/04/32/51/1055043251.db2.gz SSKBNULQXWXJLS-UHFFFAOYSA-N -1 3 351.294 2.768 20 5 FFBDHM O=C(Nc1cccc(OCc2ccccn2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001545099710 1071733284 /nfs/dbraw/zinc/73/32/84/1071733284.db2.gz AUTFBIRFLGBVRR-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM CCOc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001456390731 1060111729 /nfs/dbraw/zinc/11/17/29/1060111729.db2.gz XHDCWGUJPLFQLP-ZETCQYMHSA-N -1 3 373.291 2.621 20 5 FFBDHM CCOc1ccc(C(=O)[N-]c2nc(C(C)(C)OC)ns2)cc1[N+](=O)[O-] ZINC001462059631 1061490552 /nfs/dbraw/zinc/49/05/52/1061490552.db2.gz JZNBXRUWECOPSR-UHFFFAOYSA-N -1 3 366.399 2.979 20 5 FFBDHM COc1ccc(C(=O)[N-]c2nc(C(C)(C)OC)ns2)cc1[N+](=O)[O-] ZINC001462060396 1061492501 /nfs/dbraw/zinc/49/25/01/1061492501.db2.gz NPSRKRHSAVGHER-UHFFFAOYSA-N -1 3 352.372 2.589 20 5 FFBDHM COC(=O)[C@@H]1Cc2ccccc2N(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C1 ZINC001462607899 1061688614 /nfs/dbraw/zinc/68/86/14/1061688614.db2.gz CXMAXNLPRFCFKV-CQSZACIVSA-N -1 3 372.377 2.661 20 5 FFBDHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001467781532 1063850720 /nfs/dbraw/zinc/85/07/20/1063850720.db2.gz NAALAITXECQTPF-CYBMUJFWSA-N -1 3 355.822 2.804 20 5 FFBDHM COc1cc(CNc2ccc(F)c(-c3nnc[nH]3)c2)c([N+](=O)[O-])cc1[O-] ZINC001474146290 1065462346 /nfs/dbraw/zinc/46/23/46/1065462346.db2.gz KLXMSLXTLHDTKW-UHFFFAOYSA-N -1 3 359.317 2.845 20 5 FFBDHM CCO[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C12CCCC2 ZINC001578336139 1078465525 /nfs/dbraw/zinc/46/55/25/1078465525.db2.gz ZIYLTMGKWAQQFC-UONOGXRCSA-N -1 3 358.402 2.925 20 5 FFBDHM CCO[C@@H]1C[C@H](Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C12CCCC2 ZINC001578336139 1078465528 /nfs/dbraw/zinc/46/55/28/1078465528.db2.gz ZIYLTMGKWAQQFC-UONOGXRCSA-N -1 3 358.402 2.925 20 5 FFBDHM COC(=O)N(C)c1ccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001579453827 1078630898 /nfs/dbraw/zinc/63/08/98/1078630898.db2.gz ZJFZLWQLQCVUNH-UHFFFAOYSA-N -1 3 369.341 2.721 20 5 FFBDHM COC(=O)N(C)c1ccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001579453827 1078630902 /nfs/dbraw/zinc/63/09/02/1078630902.db2.gz ZJFZLWQLQCVUNH-UHFFFAOYSA-N -1 3 369.341 2.721 20 5 FFBDHM CO[C@@](C)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001579534636 1078640799 /nfs/dbraw/zinc/64/07/99/1078640799.db2.gz VLRUOFHPYMZYSY-KRWDZBQOSA-N -1 3 354.370 2.749 20 5 FFBDHM CO[C@@](C)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001579534636 1078640801 /nfs/dbraw/zinc/64/08/01/1078640801.db2.gz VLRUOFHPYMZYSY-KRWDZBQOSA-N -1 3 354.370 2.749 20 5 FFBDHM C[C@]12CN(c3cc(F)c(-c4nnn[n-]4)cc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001580460704 1078809370 /nfs/dbraw/zinc/80/93/70/1078809370.db2.gz IRMDJKLWHRYYGD-DKQCNTTFSA-N -1 3 358.377 2.786 20 5 FFBDHM C[C@]12CN(c3cc(F)c(-c4nn[n-]n4)cc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001580460704 1078809378 /nfs/dbraw/zinc/80/93/78/1078809378.db2.gz IRMDJKLWHRYYGD-DKQCNTTFSA-N -1 3 358.377 2.786 20 5 FFBDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2Cl)c2ncc([N+](=O)[O-])cc12 ZINC001581604009 1078980149 /nfs/dbraw/zinc/98/01/49/1078980149.db2.gz RKSFBEJUWFTDAH-UHFFFAOYSA-N -1 3 370.760 2.530 20 5 FFBDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2Cl)c2ncc([N+](=O)[O-])cc12 ZINC001581604009 1078980157 /nfs/dbraw/zinc/98/01/57/1078980157.db2.gz RKSFBEJUWFTDAH-UHFFFAOYSA-N -1 3 370.760 2.530 20 5 FFBDHM Cc1noc(C)c1C[C@H](C)Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581630023 1078982516 /nfs/dbraw/zinc/98/25/16/1078982516.db2.gz SHBTXMNJSDOASA-ZETCQYMHSA-N -1 3 361.337 2.562 20 5 FFBDHM Cc1noc(C)c1C[C@H](C)Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581630023 1078982523 /nfs/dbraw/zinc/98/25/23/1078982523.db2.gz SHBTXMNJSDOASA-ZETCQYMHSA-N -1 3 361.337 2.562 20 5 FFBDHM Cn1ccc2ccc(Nc3ccc([N+](=O)[O-])c(N)c3-c3nnn[n-]3)cc21 ZINC001581792040 1078999771 /nfs/dbraw/zinc/99/97/71/1078999771.db2.gz QUUMTTFLFWCMMV-UHFFFAOYSA-N -1 3 350.342 2.592 20 5 FFBDHM Cn1ccc2ccc(Nc3ccc([N+](=O)[O-])c(N)c3-c3nn[n-]n3)cc21 ZINC001581792040 1078999777 /nfs/dbraw/zinc/99/97/77/1078999777.db2.gz QUUMTTFLFWCMMV-UHFFFAOYSA-N -1 3 350.342 2.592 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(Nc2ccc(OCC3CC3)cc2)c1-c1nnn[n-]1 ZINC001581909503 1079014882 /nfs/dbraw/zinc/01/48/82/1079014882.db2.gz HWICDYRYXIVGIR-UHFFFAOYSA-N -1 3 367.369 2.890 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(Nc2ccc(OCC3CC3)cc2)c1-c1nn[n-]n1 ZINC001581909503 1079014890 /nfs/dbraw/zinc/01/48/90/1079014890.db2.gz HWICDYRYXIVGIR-UHFFFAOYSA-N -1 3 367.369 2.890 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1c2nc[nH]c2ccc1F ZINC001582803309 1079108901 /nfs/dbraw/zinc/10/89/01/1079108901.db2.gz BPZRGJYDHKICPB-UHFFFAOYSA-N -1 3 372.295 2.542 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1c2nc[nH]c2ccc1F ZINC001582803309 1079108907 /nfs/dbraw/zinc/10/89/07/1079108907.db2.gz BPZRGJYDHKICPB-UHFFFAOYSA-N -1 3 372.295 2.542 20 5 FFBDHM O=[N+]([O-])c1cc2cnn(Cc3ccc(-c4nnn[n-]4)s3)c2c(Cl)c1 ZINC001582803629 1079109997 /nfs/dbraw/zinc/10/99/97/1079109997.db2.gz OSBANQHGSCAHIY-UHFFFAOYSA-N -1 3 361.774 2.888 20 5 FFBDHM Cc1nocc1[N-]C(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001585126814 1079428826 /nfs/dbraw/zinc/42/88/26/1079428826.db2.gz LPKCQUUSWISMJN-UHFFFAOYSA-N -1 3 373.106 2.748 20 5 FFBDHM CNC(=O)Cn1nc([N-]c2c(Cl)c(Cl)ccc2[N+](=O)[O-])cc1C ZINC001559156988 1076130728 /nfs/dbraw/zinc/13/07/28/1076130728.db2.gz SDHXKDGBPVUBGL-UHFFFAOYSA-N -1 3 358.185 2.896 20 5 FFBDHM COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001560690757 1076291904 /nfs/dbraw/zinc/29/19/04/1076291904.db2.gz FIZBBJBOZVGPEV-MRXNPFEDSA-N -1 3 360.366 2.655 20 5 FFBDHM COC(=O)c1ccc2c(c1)CCN2Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001560773750 1076298454 /nfs/dbraw/zinc/29/84/54/1076298454.db2.gz LFHNKBWGEWBISK-UHFFFAOYSA-N -1 3 358.350 2.658 20 5 FFBDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1(CO)CCCC1 ZINC001561634005 1076401288 /nfs/dbraw/zinc/40/12/88/1076401288.db2.gz XMWPRCUKPHOBQQ-OAHLLOKOSA-N -1 3 374.434 2.590 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2oc(C(C)C)nc2C)c([N+](=O)[O-])s1 ZINC001561735608 1076414948 /nfs/dbraw/zinc/41/49/48/1076414948.db2.gz NQOAXRPYYYRMSG-UHFFFAOYSA-N -1 3 359.429 2.863 20 5 FFBDHM CC(=O)N(C)c1ccc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588800360 1080202046 /nfs/dbraw/zinc/20/20/46/1080202046.db2.gz LXIUMRMNRLXJIG-UHFFFAOYSA-N -1 3 371.332 2.640 20 5 FFBDHM CC(=O)N(C)c1ccc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588800360 1080202051 /nfs/dbraw/zinc/20/20/51/1080202051.db2.gz LXIUMRMNRLXJIG-UHFFFAOYSA-N -1 3 371.332 2.640 20 5 FFBDHM CC(=O)c1ccc(Oc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1Cl ZINC001588917641 1080263605 /nfs/dbraw/zinc/26/36/05/1080263605.db2.gz WFVCOZLGPAMFLB-UHFFFAOYSA-N -1 3 360.717 2.818 20 5 FFBDHM CC(=O)c1ccc(Oc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1Cl ZINC001588917641 1080263613 /nfs/dbraw/zinc/26/36/13/1080263613.db2.gz WFVCOZLGPAMFLB-UHFFFAOYSA-N -1 3 360.717 2.818 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])c1 ZINC001588917584 1080263841 /nfs/dbraw/zinc/26/38/41/1080263841.db2.gz SUKOGMLMFLKWCH-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])c1 ZINC001588917584 1080263846 /nfs/dbraw/zinc/26/38/46/1080263846.db2.gz SUKOGMLMFLKWCH-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM CC(=O)c1cccc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001588920455 1080265746 /nfs/dbraw/zinc/26/57/46/1080265746.db2.gz MEPKCZKLVJIRRN-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CC(=O)c1cccc(CNc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001588920455 1080265750 /nfs/dbraw/zinc/26/57/50/1080265750.db2.gz MEPKCZKLVJIRRN-UHFFFAOYSA-N -1 3 352.354 2.898 20 5 FFBDHM CC(C)(CC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(F)(F)F ZINC001589270001 1080455618 /nfs/dbraw/zinc/45/56/18/1080455618.db2.gz RATBIPHJKRNVFY-UHFFFAOYSA-N -1 3 373.291 2.797 20 5 FFBDHM CC(C)(CC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(F)(F)F ZINC001589270001 1080455620 /nfs/dbraw/zinc/45/56/20/1080455620.db2.gz RATBIPHJKRNVFY-UHFFFAOYSA-N -1 3 373.291 2.797 20 5 FFBDHM CC(C)n1ncc2c1C[C@H](Nc1cc(-c3nnn[n-]3)ccc1[N+](=O)[O-])CC2 ZINC001589784846 1080739130 /nfs/dbraw/zinc/73/91/30/1080739130.db2.gz NPGNOZAWIDAARZ-CYBMUJFWSA-N -1 3 368.401 2.522 20 5 FFBDHM CC(C)n1ncc2c1C[C@H](Nc1cc(-c3nn[n-]n3)ccc1[N+](=O)[O-])CC2 ZINC001589784846 1080739136 /nfs/dbraw/zinc/73/91/36/1080739136.db2.gz NPGNOZAWIDAARZ-CYBMUJFWSA-N -1 3 368.401 2.522 20 5 FFBDHM C[C@@H](CCCc1cccnc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589820613 1080772796 /nfs/dbraw/zinc/77/27/96/1080772796.db2.gz KCPIZSLGFBDGLA-LBPRGKRZSA-N -1 3 353.386 2.993 20 5 FFBDHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC001590106571 1081017789 /nfs/dbraw/zinc/01/77/89/1081017789.db2.gz UBSGXIKOZCLRLN-HNNXBMFYSA-N -1 3 351.370 2.757 20 5 FFBDHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC001590106571 1081017797 /nfs/dbraw/zinc/01/77/97/1081017797.db2.gz UBSGXIKOZCLRLN-HNNXBMFYSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590180538 1081073744 /nfs/dbraw/zinc/07/37/44/1081073744.db2.gz HGFCDXMXGFYEPR-RISCZKNCSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1[C@@H](c2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590180538 1081073751 /nfs/dbraw/zinc/07/37/51/1081073751.db2.gz HGFCDXMXGFYEPR-RISCZKNCSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@H](c2cccnc2)N(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001590214346 1081096209 /nfs/dbraw/zinc/09/62/09/1081096209.db2.gz MCEOOGFXGBADCV-QMTHXVAHSA-N -1 3 369.360 2.897 20 5 FFBDHM C[C@@H]1C[C@H](c2cccnc2)N(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001590214346 1081096215 /nfs/dbraw/zinc/09/62/15/1081096215.db2.gz MCEOOGFXGBADCV-QMTHXVAHSA-N -1 3 369.360 2.897 20 5 FFBDHM Cc1ccc(CN[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000277163445 256167182 /nfs/dbraw/zinc/16/71/82/256167182.db2.gz DISRVPHAGDBOMT-INIZCTEOSA-N -1 3 372.377 2.580 20 5 FFBDHM O=C([N-]Cc1noc2c1CCCC2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000287970122 257134355 /nfs/dbraw/zinc/13/43/55/257134355.db2.gz ABLJIPFSVTWXIM-UHFFFAOYSA-N -1 3 351.309 2.870 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c1C ZINC000330646904 258167342 /nfs/dbraw/zinc/16/73/42/258167342.db2.gz ZJZXHUJHKGZPEM-HIFRSBDPSA-N -1 3 356.444 2.694 20 5 FFBDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000331204449 258179816 /nfs/dbraw/zinc/17/98/16/258179816.db2.gz OFGHHFVSHKYHFM-OCCSQVGLSA-N -1 3 374.484 2.946 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000032434563 506253895 /nfs/dbraw/zinc/25/38/95/506253895.db2.gz OPJQNDCSTKQELZ-SNVBAGLBSA-N -1 3 356.425 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(Cl)c1 ZINC000055949507 506894747 /nfs/dbraw/zinc/89/47/47/506894747.db2.gz CAUDMAUAICDBCW-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSc2ccccc2)c(F)c1 ZINC000055985518 506902838 /nfs/dbraw/zinc/90/28/38/506902838.db2.gz RQKONEYKVCHQED-UHFFFAOYSA-N -1 3 356.400 2.805 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1 ZINC000056118138 506939742 /nfs/dbraw/zinc/93/97/42/506939742.db2.gz PEYHUAUMWKYNOC-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057021050 507152464 /nfs/dbraw/zinc/15/24/64/507152464.db2.gz BDRXUQBCDRSQNH-JTQLQIEISA-N -1 3 372.349 2.619 20 5 FFBDHM CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)N(C)C)cc1 ZINC000022684572 507303528 /nfs/dbraw/zinc/30/35/28/507303528.db2.gz HWGLXSGTEXBBEI-KRWDZBQOSA-N -1 3 357.410 2.896 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000064342358 507791502 /nfs/dbraw/zinc/79/15/02/507791502.db2.gz KSIQRBUYHVFDMA-UHFFFAOYSA-N -1 3 350.334 2.906 20 5 FFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000081021717 508126870 /nfs/dbraw/zinc/12/68/70/508126870.db2.gz DZDRWXNPTFRCBR-AWEZNQCLSA-N -1 3 355.394 2.819 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2n2cccn2)c([N+](=O)[O-])c1 ZINC000081187157 508146533 /nfs/dbraw/zinc/14/65/33/508146533.db2.gz PPJRZMMBDKDNEB-KGLIPLIRSA-N -1 3 364.427 2.562 20 5 FFBDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000098117732 508235632 /nfs/dbraw/zinc/23/56/32/508235632.db2.gz YUPIPWTUSHEPEH-UHFFFAOYSA-N -1 3 362.816 2.797 20 5 FFBDHM CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000101574612 508248488 /nfs/dbraw/zinc/24/84/88/508248488.db2.gz WUNVYKOLWSATLP-UHFFFAOYSA-N -1 3 365.411 2.566 20 5 FFBDHM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000103161365 508300155 /nfs/dbraw/zinc/30/01/55/508300155.db2.gz UMIPQIOTTSTIFU-UHFFFAOYSA-N -1 3 350.396 2.817 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)cc1C ZINC000114499064 508322709 /nfs/dbraw/zinc/32/27/09/508322709.db2.gz FUEJXRDMTFAZKC-UHFFFAOYSA-N -1 3 353.400 2.802 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000134146108 508499995 /nfs/dbraw/zinc/49/99/95/508499995.db2.gz IASQSCZNIAQIGO-CYBMUJFWSA-N -1 3 362.407 2.843 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)cc1C ZINC000127807300 508503246 /nfs/dbraw/zinc/50/32/46/508503246.db2.gz YFTUURYXFLLOMW-ZBFHGGJFSA-N -1 3 370.471 2.821 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)c(F)c1 ZINC000116362556 508503903 /nfs/dbraw/zinc/50/39/03/508503903.db2.gz YGOMGDAHACTEHN-TVQRCGJNSA-N -1 3 372.324 2.847 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c([N+](=O)[O-])c1 ZINC000134468619 508536900 /nfs/dbraw/zinc/53/69/00/508536900.db2.gz WGODEMAMWQCSSS-DAYGRLMNSA-N -1 3 358.419 2.767 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000134646796 508554958 /nfs/dbraw/zinc/55/49/58/508554958.db2.gz CVUBWDHZDGOIAL-CYBMUJFWSA-N -1 3 354.428 2.673 20 5 FFBDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157697347 508599167 /nfs/dbraw/zinc/59/91/67/508599167.db2.gz TVIQVBNCWGPVNZ-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2F)cc1[N+](=O)[O-] ZINC000123737427 508732044 /nfs/dbraw/zinc/73/20/44/508732044.db2.gz HRXGLCWGJUFYTQ-CMPLNLGQSA-N -1 3 356.400 2.938 20 5 FFBDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000154259422 508747227 /nfs/dbraw/zinc/74/72/27/508747227.db2.gz CSKJNNGZVJLNMZ-ZDUSSCGKSA-N -1 3 364.423 2.761 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cs1 ZINC000150813389 508898998 /nfs/dbraw/zinc/89/89/98/508898998.db2.gz MUZLHLBLTSQLTG-VIFPVBQESA-N -1 3 371.440 2.662 20 5 FFBDHM COc1ccccc1-c1nc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000120536161 509016361 /nfs/dbraw/zinc/01/63/61/509016361.db2.gz YSQXTSAISNLUBP-UHFFFAOYSA-N -1 3 353.338 2.949 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000151501240 509030633 /nfs/dbraw/zinc/03/06/33/509030633.db2.gz UWRBPEUIQGAMHX-UHFFFAOYSA-N -1 3 350.371 2.744 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C2(C)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000125839630 509035483 /nfs/dbraw/zinc/03/54/83/509035483.db2.gz SAGUGWPMBOTXAI-UHFFFAOYSA-N -1 3 352.437 2.801 20 5 FFBDHM CCc1noc(C)c1[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000121016473 509110407 /nfs/dbraw/zinc/11/04/07/509110407.db2.gz FBOHWRLKVRPFRK-UHFFFAOYSA-N -1 3 356.342 2.595 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000133156393 509125220 /nfs/dbraw/zinc/12/52/20/509125220.db2.gz JYMHPAGHGXMBMR-UHFFFAOYSA-N -1 3 359.357 2.970 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000162656642 509274575 /nfs/dbraw/zinc/27/45/75/509274575.db2.gz UDXOINFBSSOGNB-WCQYABFASA-N -1 3 374.846 2.793 20 5 FFBDHM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185756687 509341908 /nfs/dbraw/zinc/34/19/08/509341908.db2.gz MTIMZBYWCJUMGN-UHFFFAOYSA-N -1 3 373.756 2.846 20 5 FFBDHM O=C([N-]c1cc(-n2nnnc2C2CC2)ccc1F)c1ccc([N+](=O)[O-])s1 ZINC000173156131 509426478 /nfs/dbraw/zinc/42/64/78/509426478.db2.gz MHUHPUCWUVTZGP-UHFFFAOYSA-N -1 3 374.357 2.901 20 5 FFBDHM COc1ccccc1-c1nc(NC(=O)Cc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000173203470 509453949 /nfs/dbraw/zinc/45/39/49/509453949.db2.gz TYGRQHJQBSQUBP-UHFFFAOYSA-N -1 3 353.338 2.570 20 5 FFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OCCN(C)C)c1 ZINC000179510754 509488253 /nfs/dbraw/zinc/48/82/53/509488253.db2.gz HPDCAFNAFXZWSY-UHFFFAOYSA-N -1 3 359.382 2.802 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000179554711 509509080 /nfs/dbraw/zinc/50/90/80/509509080.db2.gz SJSCADMLOZEWHH-UHFFFAOYSA-N -1 3 366.381 2.630 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000179554711 509509085 /nfs/dbraw/zinc/50/90/85/509509085.db2.gz SJSCADMLOZEWHH-UHFFFAOYSA-N -1 3 366.381 2.630 20 5 FFBDHM CCCCc1nnc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000264541332 509589960 /nfs/dbraw/zinc/58/99/60/509589960.db2.gz QOLXSNYLRILHPC-UHFFFAOYSA-N -1 3 373.398 2.622 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)Cc1cccs1 ZINC000173448689 509606868 /nfs/dbraw/zinc/60/68/68/509606868.db2.gz JNPJCBZIDKWOGH-LLVKDONJSA-N -1 3 370.452 2.822 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nc(-c2cnn(C)c2)oc1C ZINC000176876718 509738944 /nfs/dbraw/zinc/73/89/44/509738944.db2.gz AEPCWTBJUOKYQT-UHFFFAOYSA-N -1 3 357.326 2.553 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1nccn1-c1ccccc1 ZINC000193029360 509743058 /nfs/dbraw/zinc/74/30/58/509743058.db2.gz VLPQYVBZVAGJPG-UHFFFAOYSA-N -1 3 372.406 2.765 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189832213 509776320 /nfs/dbraw/zinc/77/63/20/509776320.db2.gz QCOPCNOUUUBHQO-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000173975593 509883823 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353.285 2.683 20 5 FFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)cc1OC ZINC000273636835 511558632 /nfs/dbraw/zinc/55/86/32/511558632.db2.gz SRMGCGGWBHRYSD-UHFFFAOYSA-N -1 3 361.358 2.640 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCNc1ccc2ccccc2n1 ZINC000301311722 511694327 /nfs/dbraw/zinc/69/43/27/511694327.db2.gz HGJGBVRUWXOVPK-UHFFFAOYSA-N -1 3 372.406 2.533 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000311258021 511775672 /nfs/dbraw/zinc/77/56/72/511775672.db2.gz DXMODRNSYMHYGX-UHFFFAOYSA-N -1 3 356.382 2.765 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000281496430 511868393 /nfs/dbraw/zinc/86/83/93/511868393.db2.gz VPDKDDGBLQTJOR-UHFFFAOYSA-N -1 3 360.370 2.677 20 5 FFBDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000392634239 512927043 /nfs/dbraw/zinc/92/70/43/512927043.db2.gz BCGHYYLCXGJNGP-NWDGAFQWSA-N -1 3 370.427 2.629 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC000440396363 513310057 /nfs/dbraw/zinc/31/00/57/513310057.db2.gz GWMCRGACJAKKLR-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])OC ZINC000446929883 513362878 /nfs/dbraw/zinc/36/28/78/513362878.db2.gz SNZXLUFIWBTBNZ-HNNXBMFYSA-N -1 3 374.459 2.723 20 5 FFBDHM CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447015291 513383232 /nfs/dbraw/zinc/38/32/32/513383232.db2.gz FUZMCJFKVKMCAR-QMMMGPOBSA-N -1 3 352.334 2.938 20 5 FFBDHM CC1(F)CC([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000451628411 513873497 /nfs/dbraw/zinc/87/34/97/513873497.db2.gz FIIYHRUQBRCNPC-UHFFFAOYSA-N -1 3 367.196 2.526 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000443279300 513918202 /nfs/dbraw/zinc/91/82/02/513918202.db2.gz SYWLIUMDUCUNTO-UHFFFAOYSA-N -1 3 350.396 2.520 20 5 FFBDHM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000443390389 513956010 /nfs/dbraw/zinc/95/60/10/513956010.db2.gz 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Cc1sc(S(=O)(=O)[N-]C[C@@]2(O)CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000445749504 514515784 /nfs/dbraw/zinc/51/57/84/514515784.db2.gz HVWXHVDVWTZHTA-CQSZACIVSA-N -1 3 362.473 2.574 20 5 FFBDHM Cc1ccn2cc(C[N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])nc2c1 ZINC000497756932 514626640 /nfs/dbraw/zinc/62/66/40/514626640.db2.gz LZWKJSPYWLAUKJ-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000466588673 514700571 /nfs/dbraw/zinc/70/05/71/514700571.db2.gz WTSYYEQDWGMOOU-DLBZAZTESA-N -1 3 368.455 2.695 20 5 FFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO[C@H]1C1CC1 ZINC000466590304 514702686 /nfs/dbraw/zinc/70/26/86/514702686.db2.gz ZKHWJDOIRGGKQT-LSDHHAIUSA-N -1 3 374.846 2.732 20 5 FFBDHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1(C)C ZINC000466870633 514808729 /nfs/dbraw/zinc/80/87/29/514808729.db2.gz BKNCMPKBLNXSDM-GOEBONIOSA-N -1 3 356.444 2.694 20 5 FFBDHM COc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Br ZINC000489428258 514844013 /nfs/dbraw/zinc/84/40/13/514844013.db2.gz HJSGYEWMOOQRKZ-UHFFFAOYSA-N -1 3 368.143 2.719 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000467055736 514879648 /nfs/dbraw/zinc/87/96/48/514879648.db2.gz DJBVQFAFHSQRQF-NEPJUHHUSA-N -1 3 362.473 2.837 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000462325087 514997213 /nfs/dbraw/zinc/99/72/13/514997213.db2.gz GXFVALDMQFANRM-ZIAGYGMSSA-N -1 3 374.846 2.874 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(F)(F)F ZINC000476578034 515112726 /nfs/dbraw/zinc/11/27/26/515112726.db2.gz SEEOGPCKTKNUCX-MRVPVSSYSA-N -1 3 363.317 2.620 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000480860946 515113771 /nfs/dbraw/zinc/11/37/71/515113771.db2.gz CLTRZKQBWQUWBC-HNNXBMFYSA-N -1 3 368.455 2.896 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000462571566 515130684 /nfs/dbraw/zinc/13/06/84/515130684.db2.gz JXZDATUFQOKUSN-OAHLLOKOSA-N -1 3 350.396 2.569 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCCC[C@@H]2C)c1C ZINC000480926160 515138217 /nfs/dbraw/zinc/13/82/17/515138217.db2.gz KNHXXMMNIVDQFS-UONOGXRCSA-N -1 3 369.487 2.753 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CCOCC1 ZINC000481002813 515168618 /nfs/dbraw/zinc/16/86/18/515168618.db2.gz JENNHYLBKOTCRV-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM Cc1ccc2[nH]c(C[N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])nc2c1 ZINC000481004885 515169731 /nfs/dbraw/zinc/16/97/31/515169731.db2.gz ASVLZJPNPWVNDG-UHFFFAOYSA-N -1 3 374.422 2.875 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000481004885 515169741 /nfs/dbraw/zinc/16/97/41/515169741.db2.gz ASVLZJPNPWVNDG-UHFFFAOYSA-N -1 3 374.422 2.875 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000485756376 515173713 /nfs/dbraw/zinc/17/37/13/515173713.db2.gz FPURUIZTGIUKJJ-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC(=O)OC(C)(C)C)c1C ZINC000481023791 515176255 /nfs/dbraw/zinc/17/62/55/515176255.db2.gz WXKPJIUMIGQBEN-NSHDSACASA-N -1 3 372.443 2.610 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000481023345 515177091 /nfs/dbraw/zinc/17/70/91/515177091.db2.gz IUKLZUVCCWRIRE-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM COCc1cccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000499074787 515189481 /nfs/dbraw/zinc/18/94/81/515189481.db2.gz LAHJTZGSWSKWIJ-UHFFFAOYSA-N -1 3 352.350 2.806 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cnc2ccccc2n1 ZINC000499079554 515191035 /nfs/dbraw/zinc/19/10/35/515191035.db2.gz ZFFKKMTVJSZKRJ-UHFFFAOYSA-N -1 3 360.333 2.602 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(O)CCCCCC2)c1[N+](=O)[O-] ZINC000481068011 515195515 /nfs/dbraw/zinc/19/55/15/515195515.db2.gz HIWJZSURWDBQAS-UHFFFAOYSA-N -1 3 356.444 2.575 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000462700820 515197413 /nfs/dbraw/zinc/19/74/13/515197413.db2.gz NPSPXXUIFIROFP-JHJVBQTASA-N -1 3 354.428 2.851 20 5 FFBDHM COc1nnc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)[n-]1 ZINC000490711379 515287452 /nfs/dbraw/zinc/28/74/52/515287452.db2.gz SAMVPVFXPGSZTR-UHFFFAOYSA-N -1 3 368.353 2.586 20 5 FFBDHM COc1nc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[n-]1 ZINC000490711379 515287460 /nfs/dbraw/zinc/28/74/60/515287460.db2.gz SAMVPVFXPGSZTR-UHFFFAOYSA-N -1 3 368.353 2.586 20 5 FFBDHM COc1n[n-]c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000490711379 515287471 /nfs/dbraw/zinc/28/74/71/515287471.db2.gz SAMVPVFXPGSZTR-UHFFFAOYSA-N -1 3 368.353 2.586 20 5 FFBDHM CCc1cc(=O)[n-]c(CSCCOc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000477368323 515429352 /nfs/dbraw/zinc/42/93/52/515429352.db2.gz WMAXYWMUZVPNQF-UHFFFAOYSA-N -1 3 365.411 2.974 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCCC2(C)C)cc1[N+](=O)[O-] ZINC000491571757 515454483 /nfs/dbraw/zinc/45/44/83/515454483.db2.gz HLAMXYFFACCUNU-ZDUSSCGKSA-N -1 3 360.407 2.990 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000491602575 515460477 /nfs/dbraw/zinc/46/04/77/515460477.db2.gz VSLAAHNFEQKOMC-UHFFFAOYSA-N -1 3 360.407 2.991 20 5 FFBDHM CN(C)[C@H](CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000486453142 515487809 /nfs/dbraw/zinc/48/78/09/515487809.db2.gz SPWAHOCJIIXJLW-KRWDZBQOSA-N -1 3 367.409 2.652 20 5 FFBDHM CC[C@@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000486655106 515584240 /nfs/dbraw/zinc/58/42/40/515584240.db2.gz STOZQRBRBFUZFM-MWLCHTKSSA-N -1 3 367.431 2.574 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000493557381 515643732 /nfs/dbraw/zinc/64/37/32/515643732.db2.gz ZTZQBHHLXIOXBA-HBNTYKKESA-N -1 3 360.407 2.846 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000473854731 515778363 /nfs/dbraw/zinc/77/83/63/515778363.db2.gz ZJBFMTHUXRZJTF-GOSISDBHSA-N -1 3 374.400 2.930 20 5 FFBDHM CCSc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccn1 ZINC000494325440 515808753 /nfs/dbraw/zinc/80/87/53/515808753.db2.gz CLRLXMZOIAGVPU-UHFFFAOYSA-N -1 3 373.481 2.950 20 5 FFBDHM CCOC(=O)C[C@@](C)([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000478787816 515964954 /nfs/dbraw/zinc/96/49/54/515964954.db2.gz KWLPMROEYLRLOA-MRXNPFEDSA-N -1 3 372.443 2.549 20 5 FFBDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000507285923 516158433 /nfs/dbraw/zinc/15/84/33/516158433.db2.gz VVQAYHBELADXFU-BBRMVZONSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000479364701 516166871 /nfs/dbraw/zinc/16/68/71/516166871.db2.gz OTSKJPKIIBDUNQ-SWLSCSKDSA-N -1 3 356.444 2.775 20 5 FFBDHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000507328430 516173950 /nfs/dbraw/zinc/17/39/50/516173950.db2.gz HPWJBMGIKUKVHC-GFCCVEGCSA-N -1 3 373.450 2.523 20 5 FFBDHM CCc1cccc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1[O-] ZINC000531198363 516345574 /nfs/dbraw/zinc/34/55/74/516345574.db2.gz BSHWAXNKVWYSDW-UHFFFAOYSA-N -1 3 374.393 2.853 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc2nc[nH]c2cc1F ZINC000561205776 516450503 /nfs/dbraw/zinc/45/05/03/516450503.db2.gz BWLCUYIYPPHRRN-UHFFFAOYSA-N -1 3 366.312 2.675 20 5 FFBDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000544104626 516584936 /nfs/dbraw/zinc/58/49/36/516584936.db2.gz JGJDTJHYGRXKDU-MNOVXSKESA-N -1 3 362.835 2.732 20 5 FFBDHM CCOc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1[N+](=O)[O-] ZINC000518278750 516600125 /nfs/dbraw/zinc/60/01/25/516600125.db2.gz JFOJDMOHLWMTPE-UHFFFAOYSA-N -1 3 352.310 2.982 20 5 FFBDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000561561985 516655107 /nfs/dbraw/zinc/65/51/07/516655107.db2.gz DDQPDEHVFWUQSL-HWPZZCPQSA-N -1 3 366.370 2.676 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(-c3ccc4c(c3)CCO4)cs2)c1[N+](=O)[O-] ZINC000524486996 516734770 /nfs/dbraw/zinc/73/47/70/516734770.db2.gz JCEABTZBCCBBID-UHFFFAOYSA-N -1 3 371.378 2.937 20 5 FFBDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000558780507 516941386 /nfs/dbraw/zinc/94/13/86/516941386.db2.gz XYSPHWCYAWUCTH-GFCCVEGCSA-N -1 3 361.489 2.589 20 5 FFBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000541455857 517056123 /nfs/dbraw/zinc/05/61/23/517056123.db2.gz FZPUTQQKUGSBHV-UHFFFAOYSA-N -1 3 362.411 2.831 20 5 FFBDHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000537183896 517072854 /nfs/dbraw/zinc/07/28/54/517072854.db2.gz SJBNXZFMHPAZAY-CABCVRRESA-N -1 3 362.407 2.828 20 5 FFBDHM COc1cc([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])ncn1 ZINC000533146676 517317227 /nfs/dbraw/zinc/31/72/27/517317227.db2.gz LNSGKGXMSSNGNH-UHFFFAOYSA-N -1 3 372.259 2.587 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1csc(NC(C)=O)n1 ZINC000546665783 517785883 /nfs/dbraw/zinc/78/58/83/517785883.db2.gz LBPFFZFZNPXJNJ-UHFFFAOYSA-N -1 3 350.356 2.661 20 5 FFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000553575909 517793547 /nfs/dbraw/zinc/79/35/47/517793547.db2.gz QJKOXDVRLDVPBZ-UHFFFAOYSA-N -1 3 350.462 2.696 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)cc1C ZINC000521773689 517852600 /nfs/dbraw/zinc/85/26/00/517852600.db2.gz QOLYKZNSJCKZDA-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM O=[N+]([O-])c1ccc(CNc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000516917027 517912536 /nfs/dbraw/zinc/91/25/36/517912536.db2.gz CABCXBMEKYUJFM-UHFFFAOYSA-N -1 3 365.386 2.787 20 5 FFBDHM CC(=O)c1ccc(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cc1 ZINC000522357376 518086374 /nfs/dbraw/zinc/08/63/74/518086374.db2.gz KRZKHLACCZMUMT-UHFFFAOYSA-N -1 3 364.361 2.791 20 5 FFBDHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543496190 518118920 /nfs/dbraw/zinc/11/89/20/518118920.db2.gz CLSSEXHPYOQZTP-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000543496190 518118927 /nfs/dbraw/zinc/11/89/27/518118927.db2.gz CLSSEXHPYOQZTP-VIFPVBQESA-N -1 3 356.317 2.656 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCCSc2ccccn2)cc1[N+](=O)[O-] ZINC000563815469 518136263 /nfs/dbraw/zinc/13/62/63/518136263.db2.gz VHJHZZACLTYXGZ-UHFFFAOYSA-N -1 3 373.481 2.820 20 5 FFBDHM CCOC(=O)c1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc([N+](=O)[O-])c1 ZINC000581742446 518434549 /nfs/dbraw/zinc/43/45/49/518434549.db2.gz ZTEIRWCBPYROAK-UHFFFAOYSA-N -1 3 372.333 2.932 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc(-c2ncc[nH]2)c1 ZINC000565414445 518943554 /nfs/dbraw/zinc/94/35/54/518943554.db2.gz JEYAAAPFUGVEAG-UHFFFAOYSA-N -1 3 372.406 2.772 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)N2CCCC2)n1 ZINC000571288313 519022246 /nfs/dbraw/zinc/02/22/46/519022246.db2.gz XKDRCOBVLYWPKX-INIZCTEOSA-N -1 3 356.382 2.937 20 5 FFBDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000583016462 519035639 /nfs/dbraw/zinc/03/56/39/519035639.db2.gz XTJZTXXFICACMY-UHFFFAOYSA-N -1 3 358.460 2.943 20 5 FFBDHM CNC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1Cl ZINC000578148804 519443454 /nfs/dbraw/zinc/44/34/54/519443454.db2.gz ZRDGDBYVMDUHKD-UHFFFAOYSA-N -1 3 365.773 2.934 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@H]23)c(Cl)c1 ZINC000594483203 519992810 /nfs/dbraw/zinc/99/28/10/519992810.db2.gz CVLWAUGWVTYTPD-ZIAGYGMSSA-N -1 3 373.862 2.543 20 5 FFBDHM O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612532637 520006745 /nfs/dbraw/zinc/00/67/45/520006745.db2.gz GUYHJSKKGXKWSO-INIZCTEOSA-N -1 3 369.421 2.942 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cccc(OCC(F)F)c1 ZINC000608835385 520140647 /nfs/dbraw/zinc/14/06/47/520140647.db2.gz YLOBDUASDBWAIE-UHFFFAOYSA-N -1 3 372.349 2.717 20 5 FFBDHM CC(C)(F)CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000594845250 520185203 /nfs/dbraw/zinc/18/52/03/520185203.db2.gz QCUSJAXVPVYUFG-UHFFFAOYSA-N -1 3 369.212 2.774 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594852991 520188716 /nfs/dbraw/zinc/18/87/16/520188716.db2.gz UZCHQQGMWQQRSU-NSHDSACASA-N -1 3 354.762 2.880 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1ccccc1-n1cccn1 ZINC000609202170 520229967 /nfs/dbraw/zinc/22/99/67/520229967.db2.gz JANIFETVPFCZLQ-UHFFFAOYSA-N -1 3 374.360 2.845 20 5 FFBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1 ZINC000609632933 520389761 /nfs/dbraw/zinc/38/97/61/520389761.db2.gz IRXZPWWKNFPXLF-UHFFFAOYSA-N -1 3 368.386 2.870 20 5 FFBDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1(F)F ZINC000595351710 520423692 /nfs/dbraw/zinc/42/36/92/520423692.db2.gz KZCYMLAHZCLERV-GFCCVEGCSA-N -1 3 371.365 2.713 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2F)c(Cl)c1 ZINC000604018114 520426976 /nfs/dbraw/zinc/42/69/76/520426976.db2.gz YCJYILYDUCDZQC-UHFFFAOYSA-N -1 3 374.777 2.745 20 5 FFBDHM CC1(C)CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000595390448 520442901 /nfs/dbraw/zinc/44/29/01/520442901.db2.gz WNPXGRBJMXOJNZ-UHFFFAOYSA-N -1 3 363.233 2.824 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](Cn1cccn1)c1ccccc1 ZINC000610161993 520564483 /nfs/dbraw/zinc/56/44/83/520564483.db2.gz YKKMMEJBVAHHBX-HNNXBMFYSA-N -1 3 372.406 2.511 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000610265362 520611660 /nfs/dbraw/zinc/61/16/60/520611660.db2.gz FLTUTQOKGGCZPM-SJORKVTESA-N -1 3 362.407 2.612 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)CCc2cccc([N+](=O)[O-])c2)[nH][n-]1 ZINC000610673943 520791634 /nfs/dbraw/zinc/79/16/34/520791634.db2.gz CAIGZSZSUAPQGW-UHFFFAOYSA-N -1 3 366.377 2.987 20 5 FFBDHM O=C([O-])[C@H]1c2ccccc2CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595892879 520798581 /nfs/dbraw/zinc/79/85/81/520798581.db2.gz UZQLIEJXSJZOGQ-GOSISDBHSA-N -1 3 369.377 2.607 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000596086929 520904331 /nfs/dbraw/zinc/90/43/31/520904331.db2.gz CHRXAECIMVMFFO-SNVBAGLBSA-N -1 3 373.287 2.566 20 5 FFBDHM O=C(Nc1ccc(F)cc1)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596110030 520917686 /nfs/dbraw/zinc/91/76/86/520917686.db2.gz XQJMDPRRKMOBLB-UHFFFAOYSA-N -1 3 360.345 2.690 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000610956520 520919740 /nfs/dbraw/zinc/91/97/40/520919740.db2.gz HJZOKSANGHGJOR-QMMMGPOBSA-N -1 3 352.334 2.938 20 5 FFBDHM O=c1[n-]ccc(N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1[N+](=O)[O-] ZINC000596263817 520999577 /nfs/dbraw/zinc/99/95/77/520999577.db2.gz GRSKLAJMCJIKEW-NSHDSACASA-N -1 3 361.320 2.881 20 5 FFBDHM C[C@H]1C[C@@H]1c1noc(CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596292478 521013401 /nfs/dbraw/zinc/01/34/01/521013401.db2.gz IWJCCXPJRHMAFL-JQWIXIFHSA-N -1 3 359.386 2.661 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)nc1 ZINC000593542820 521064929 /nfs/dbraw/zinc/06/49/29/521064929.db2.gz JXYSJSBEFWUKMY-INIZCTEOSA-N -1 3 365.386 2.949 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)nc1 ZINC000593590091 521094129 /nfs/dbraw/zinc/09/41/29/521094129.db2.gz XXZMJAXAQNNMIU-GXTWGEPZSA-N -1 3 365.386 2.744 20 5 FFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3c(c2)CCOC3)s1 ZINC000596486448 521096287 /nfs/dbraw/zinc/09/62/87/521096287.db2.gz ZBMQXPSTIIONQJ-UHFFFAOYSA-N -1 3 354.409 2.876 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000599459607 521240311 /nfs/dbraw/zinc/24/03/11/521240311.db2.gz LFSYSZQKHQRARX-CMPLNLGQSA-N -1 3 372.399 2.638 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000619475414 521587298 /nfs/dbraw/zinc/58/72/98/521587298.db2.gz VISCZEQACJDLOA-LLVKDONJSA-N -1 3 352.368 2.552 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(C)cc1C ZINC000619477358 521588867 /nfs/dbraw/zinc/58/88/67/521588867.db2.gz LPMJVIOIQJPIDM-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1 ZINC000619477585 521589011 /nfs/dbraw/zinc/58/90/11/521589011.db2.gz KCBAOOFSXYHENJ-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000619492351 521596393 /nfs/dbraw/zinc/59/63/93/521596393.db2.gz LWSWWLRAKUZHNY-IAOVAPTHSA-N -1 3 374.418 2.610 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)c1c(C)noc1C ZINC000619493683 521596503 /nfs/dbraw/zinc/59/65/03/521596503.db2.gz COVWBORBUQFJBS-NSHDSACASA-N -1 3 369.399 2.638 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(c3cccc(Cl)c3)CC2)c(-c2nnn[n-]2)c1 ZINC000738374988 598856726 /nfs/dbraw/zinc/85/67/26/598856726.db2.gz WXAKXLORWUXNFE-UHFFFAOYSA-N -1 3 371.788 2.967 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(c3cccc(Cl)c3)CC2)c(-c2nn[n-]n2)c1 ZINC000738374988 598856727 /nfs/dbraw/zinc/85/67/27/598856727.db2.gz WXAKXLORWUXNFE-UHFFFAOYSA-N -1 3 371.788 2.967 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H](CCCO)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738370803 598978405 /nfs/dbraw/zinc/97/84/05/598978405.db2.gz QLYCIEOAIIHSLG-OAHLLOKOSA-N -1 3 354.370 2.701 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H](CCCO)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738370803 598978407 /nfs/dbraw/zinc/97/84/07/598978407.db2.gz QLYCIEOAIIHSLG-OAHLLOKOSA-N -1 3 354.370 2.701 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000738232640 599186500 /nfs/dbraw/zinc/18/65/00/599186500.db2.gz VAPQGSREAQCBAW-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000738232640 599186503 /nfs/dbraw/zinc/18/65/03/599186503.db2.gz VAPQGSREAQCBAW-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM CCNc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1[N+](=O)[O-] ZINC000821308441 607271183 /nfs/dbraw/zinc/27/11/83/607271183.db2.gz AIUZUYCBUKIZFF-UHFFFAOYSA-N -1 3 367.369 2.767 20 5 FFBDHM CCNc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1[N+](=O)[O-] ZINC000821308441 607271184 /nfs/dbraw/zinc/27/11/84/607271184.db2.gz AIUZUYCBUKIZFF-UHFFFAOYSA-N -1 3 367.369 2.767 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1sccc1-c1nnn[n-]1 ZINC000737966967 599247061 /nfs/dbraw/zinc/24/70/61/599247061.db2.gz OFFPAILYYBTLLF-UHFFFAOYSA-N -1 3 364.774 2.671 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1sccc1-c1nn[n-]n1 ZINC000737966967 599247063 /nfs/dbraw/zinc/24/70/63/599247063.db2.gz OFFPAILYYBTLLF-UHFFFAOYSA-N -1 3 364.774 2.671 20 5 FFBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000735832160 599263945 /nfs/dbraw/zinc/26/39/45/599263945.db2.gz WSJKZFMTSJNXAE-UHFFFAOYSA-N -1 3 353.386 2.833 20 5 FFBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000735832160 599263947 /nfs/dbraw/zinc/26/39/47/599263947.db2.gz WSJKZFMTSJNXAE-UHFFFAOYSA-N -1 3 353.386 2.833 20 5 FFBDHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820220790 607331813 /nfs/dbraw/zinc/33/18/13/607331813.db2.gz XSHQKLNWFMLHIC-PIGZYNQJSA-N -1 3 366.381 2.603 20 5 FFBDHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820220790 607331814 /nfs/dbraw/zinc/33/18/14/607331814.db2.gz XSHQKLNWFMLHIC-PIGZYNQJSA-N -1 3 366.381 2.603 20 5 FFBDHM O=C1CCc2cc([N+](=O)[O-])c(Sc3ccc(-c4nnn[n-]4)cc3)cc2N1 ZINC000738302188 598241147 /nfs/dbraw/zinc/24/11/47/598241147.db2.gz HVWURFAVAAUBMJ-UHFFFAOYSA-N -1 3 368.378 2.811 20 5 FFBDHM O=C1CCc2cc([N+](=O)[O-])c(Sc3ccc(-c4nn[n-]n4)cc3)cc2N1 ZINC000738302188 598241149 /nfs/dbraw/zinc/24/11/49/598241149.db2.gz HVWURFAVAAUBMJ-UHFFFAOYSA-N -1 3 368.378 2.811 20 5 FFBDHM COCc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1F ZINC000737015863 598469199 /nfs/dbraw/zinc/46/91/99/598469199.db2.gz GTQIYGROKVKQLX-UHFFFAOYSA-N -1 3 358.333 2.673 20 5 FFBDHM COCc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1F ZINC000737015863 598469200 /nfs/dbraw/zinc/46/92/00/598469200.db2.gz GTQIYGROKVKQLX-UHFFFAOYSA-N -1 3 358.333 2.673 20 5 FFBDHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737041074 598483807 /nfs/dbraw/zinc/48/38/07/598483807.db2.gz KWQRJYGYPFDYFS-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737041074 598483808 /nfs/dbraw/zinc/48/38/08/598483808.db2.gz KWQRJYGYPFDYFS-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738368637 598509045 /nfs/dbraw/zinc/50/90/45/598509045.db2.gz GREXZVLJQVMTST-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738368637 598509047 /nfs/dbraw/zinc/50/90/47/598509047.db2.gz GREXZVLJQVMTST-UHFFFAOYSA-N -1 3 359.777 2.952 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737378590 598613750 /nfs/dbraw/zinc/61/37/50/598613750.db2.gz VBSXPJBPLXVNRL-HNNXBMFYSA-N -1 3 352.354 2.937 20 5 FFBDHM Cc1ccc2c(c1C)OC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000737378590 598613751 /nfs/dbraw/zinc/61/37/51/598613751.db2.gz VBSXPJBPLXVNRL-HNNXBMFYSA-N -1 3 352.354 2.937 20 5 FFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000737939885 598657121 /nfs/dbraw/zinc/65/71/21/598657121.db2.gz CRHAVBZTUDNZHS-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000737939885 598657123 /nfs/dbraw/zinc/65/71/23/598657123.db2.gz CRHAVBZTUDNZHS-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM Cc1cccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000737386647 598702130 /nfs/dbraw/zinc/70/21/30/598702130.db2.gz YNTWRLDXRSNXMM-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000737386647 598702131 /nfs/dbraw/zinc/70/21/31/598702131.db2.gz YNTWRLDXRSNXMM-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000738368398 598756780 /nfs/dbraw/zinc/75/67/80/598756780.db2.gz DAKDTYJAFQPMBF-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000736298027 599325232 /nfs/dbraw/zinc/32/52/32/599325232.db2.gz OJALROLPZSMHAF-GFCCVEGCSA-N -1 3 366.381 2.605 20 5 FFBDHM C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000736298027 599325235 /nfs/dbraw/zinc/32/52/35/599325235.db2.gz OJALROLPZSMHAF-GFCCVEGCSA-N -1 3 366.381 2.605 20 5 FFBDHM COCCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821687234 599506158 /nfs/dbraw/zinc/50/61/58/599506158.db2.gz VLZAWHXVLFSKLU-UHFFFAOYSA-N -1 3 357.374 2.552 20 5 FFBDHM COCCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821687234 599506161 /nfs/dbraw/zinc/50/61/61/599506161.db2.gz VLZAWHXVLFSKLU-UHFFFAOYSA-N -1 3 357.374 2.552 20 5 FFBDHM C[C@@H]1[C@H](C)SCCN1c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820818965 599563956 /nfs/dbraw/zinc/56/39/56/599563956.db2.gz CZOHHCDSTSXEMW-ZJUUUORDSA-N -1 3 371.426 2.653 20 5 FFBDHM C[C@@H]1[C@H](C)SCCN1c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820818965 599563958 /nfs/dbraw/zinc/56/39/58/599563958.db2.gz CZOHHCDSTSXEMW-ZJUUUORDSA-N -1 3 371.426 2.653 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253866 607405122 /nfs/dbraw/zinc/40/51/22/607405122.db2.gz IJJDOZJYGHITMA-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000826253866 607405124 /nfs/dbraw/zinc/40/51/24/607405124.db2.gz IJJDOZJYGHITMA-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000833770655 604762367 /nfs/dbraw/zinc/76/23/67/604762367.db2.gz KYQYTQOWXWIDPQ-QGZVFWFLSA-N -1 3 360.366 2.512 20 5 FFBDHM Cc1nn(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c2ccc([N+](=O)[O-])cc12 ZINC000833921240 605322424 /nfs/dbraw/zinc/32/24/24/605322424.db2.gz RPTUEJMNBFEGLD-VBNZEHGJSA-N -1 3 373.413 2.579 20 5 FFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820908869 606402197 /nfs/dbraw/zinc/40/21/97/606402197.db2.gz QMQVFBNCXNUSFC-LLVKDONJSA-N -1 3 373.348 2.579 20 5 FFBDHM CC[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820908869 606402199 /nfs/dbraw/zinc/40/21/99/606402199.db2.gz QMQVFBNCXNUSFC-LLVKDONJSA-N -1 3 373.348 2.579 20 5 FFBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000823647136 606590552 /nfs/dbraw/zinc/59/05/52/606590552.db2.gz GTSLOPHPIXHSJD-UHFFFAOYSA-N -1 3 363.280 2.955 20 5 FFBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000823647136 606590554 /nfs/dbraw/zinc/59/05/54/606590554.db2.gz GTSLOPHPIXHSJD-UHFFFAOYSA-N -1 3 363.280 2.955 20 5 FFBDHM Cc1ccc([C@@H](C)OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822230238 606623224 /nfs/dbraw/zinc/62/32/24/606623224.db2.gz ABMXDGSEJVQQHR-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1ccc([C@@H](C)OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822230238 606623225 /nfs/dbraw/zinc/62/32/25/606623225.db2.gz ABMXDGSEJVQQHR-GFCCVEGCSA-N -1 3 367.365 2.930 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1COc2ccc(Cl)cc21 ZINC000823629569 606790868 /nfs/dbraw/zinc/79/08/68/606790868.db2.gz AGQAVVYXNOTBTH-GFCCVEGCSA-N -1 3 358.745 2.974 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1COc2ccc(Cl)cc21 ZINC000823629569 606790869 /nfs/dbraw/zinc/79/08/69/606790869.db2.gz AGQAVVYXNOTBTH-GFCCVEGCSA-N -1 3 358.745 2.974 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC000821360789 606880383 /nfs/dbraw/zinc/88/03/83/606880383.db2.gz SMMUOLVPMSWHMA-GJZGRUSLSA-N -1 3 358.402 2.559 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCC2 ZINC000821360789 606880386 /nfs/dbraw/zinc/88/03/86/606880386.db2.gz SMMUOLVPMSWHMA-GJZGRUSLSA-N -1 3 358.402 2.559 20 5 FFBDHM CC(C)(C)c1nnc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000819971154 606945843 /nfs/dbraw/zinc/94/58/43/606945843.db2.gz DRKUWSVCOCZQOK-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CC(C)(C)c1nnc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000819971154 606945845 /nfs/dbraw/zinc/94/58/45/606945845.db2.gz DRKUWSVCOCZQOK-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM Cc1c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000822021350 607073364 /nfs/dbraw/zinc/07/33/64/607073364.db2.gz XPWNLONOFNYKPQ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000822021350 607073366 /nfs/dbraw/zinc/07/33/66/607073366.db2.gz XPWNLONOFNYKPQ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822332048 607075301 /nfs/dbraw/zinc/07/53/01/607075301.db2.gz LEZOAVHXPHDYGZ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822332048 607075303 /nfs/dbraw/zinc/07/53/03/607075303.db2.gz LEZOAVHXPHDYGZ-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C[C@H](c2ccsc2)O1 ZINC000820774384 607116327 /nfs/dbraw/zinc/11/63/27/607116327.db2.gz BPBMZTSVKPMQDG-ZUZCIYMTSA-N -1 3 372.410 2.803 20 5 FFBDHM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C[C@H](c2ccsc2)O1 ZINC000820774384 607116328 /nfs/dbraw/zinc/11/63/28/607116328.db2.gz BPBMZTSVKPMQDG-ZUZCIYMTSA-N -1 3 372.410 2.803 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000826497767 607849718 /nfs/dbraw/zinc/84/97/18/607849718.db2.gz TZVGGAUFHZUJRB-GLQYFDAESA-N -1 3 356.386 2.535 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000826497767 607849719 /nfs/dbraw/zinc/84/97/19/607849719.db2.gz TZVGGAUFHZUJRB-GLQYFDAESA-N -1 3 356.386 2.535 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000824648002 607902784 /nfs/dbraw/zinc/90/27/84/607902784.db2.gz CRVRQUNPXMFMBN-SKVICXGVSA-N -1 3 372.410 2.685 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000824648002 607902785 /nfs/dbraw/zinc/90/27/85/607902785.db2.gz CRVRQUNPXMFMBN-SKVICXGVSA-N -1 3 372.410 2.685 20 5 FFBDHM Cc1c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cccc1-c1nnn[n-]1 ZINC000826242416 608106954 /nfs/dbraw/zinc/10/69/54/608106954.db2.gz NVPGUZOFBWVQDJ-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM Cc1c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cccc1-c1nn[n-]n1 ZINC000826242416 608106955 /nfs/dbraw/zinc/10/69/55/608106955.db2.gz NVPGUZOFBWVQDJ-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM C[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000824385519 608162722 /nfs/dbraw/zinc/16/27/22/608162722.db2.gz WAGOJSASBYXFJJ-ZETCQYMHSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000824385519 608162723 /nfs/dbraw/zinc/16/27/23/608162723.db2.gz WAGOJSASBYXFJJ-ZETCQYMHSA-N -1 3 350.766 2.803 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826278252 608479264 /nfs/dbraw/zinc/47/92/64/608479264.db2.gz VSKGMBAYMRSIQT-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826278252 608479266 /nfs/dbraw/zinc/47/92/66/608479266.db2.gz VSKGMBAYMRSIQT-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM CC(=CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942756 609505003 /nfs/dbraw/zinc/50/50/03/609505003.db2.gz ISSGFJPALOJHTG-NTMALXAHSA-N -1 3 368.328 2.956 20 5 FFBDHM CC(=CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823942756 609505005 /nfs/dbraw/zinc/50/50/05/609505005.db2.gz ISSGFJPALOJHTG-NTMALXAHSA-N -1 3 368.328 2.956 20 5 FFBDHM Cc1cccc(OCCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826300052 609595297 /nfs/dbraw/zinc/59/52/97/609595297.db2.gz GFPXQZZWXGNZNT-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1cccc(OCCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826300052 609595298 /nfs/dbraw/zinc/59/52/98/609595298.db2.gz GFPXQZZWXGNZNT-UHFFFAOYSA-N -1 3 354.370 2.964 20 5 FFBDHM Cc1cnc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(C)c1 ZINC000826317958 609598816 /nfs/dbraw/zinc/59/88/16/609598816.db2.gz QSVNMKFIPFKMKO-UHFFFAOYSA-N -1 3 373.760 2.692 20 5 FFBDHM Cc1cnc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(C)c1 ZINC000826317958 609598817 /nfs/dbraw/zinc/59/88/17/609598817.db2.gz QSVNMKFIPFKMKO-UHFFFAOYSA-N -1 3 373.760 2.692 20 5 FFBDHM Cc1sc2ncn([N-]C(=O)c3cc(C)cc([N+](=O)[O-])c3)c(=O)c2c1C ZINC000122412642 728647118 /nfs/dbraw/zinc/64/71/18/728647118.db2.gz BRXVTGGHUTVTOQ-UHFFFAOYSA-N -1 3 358.379 2.675 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000122739633 728651121 /nfs/dbraw/zinc/65/11/21/728651121.db2.gz BDHOZHCVUJHANQ-XHDPSFHLSA-N -1 3 368.386 2.524 20 5 FFBDHM O=C([N-]c1cc(C(F)(F)F)no1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000748357541 735638365 /nfs/dbraw/zinc/63/83/65/735638365.db2.gz WCNGPKJUPJLNLR-UHFFFAOYSA-N -1 3 359.216 2.625 20 5 FFBDHM O=C([O-])[C@]12CCC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000901522365 735790031 /nfs/dbraw/zinc/79/00/31/735790031.db2.gz JZQLJSLKULCYHI-BZNIZROVSA-N -1 3 356.325 2.883 20 5 FFBDHM COc1cc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC000754270035 736142161 /nfs/dbraw/zinc/14/21/61/736142161.db2.gz YGAOLENNHWPUKO-UHFFFAOYSA-N -1 3 351.286 2.814 20 5 FFBDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1C ZINC000763086219 736900722 /nfs/dbraw/zinc/90/07/22/736900722.db2.gz OCSLLIDSBWPVFC-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c(Cl)c1 ZINC000917876222 737781395 /nfs/dbraw/zinc/78/13/95/737781395.db2.gz IVCAWNLMCDDTNW-LURJTMIESA-N -1 3 359.618 2.720 20 5 FFBDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000931312953 739243508 /nfs/dbraw/zinc/24/35/08/739243508.db2.gz AOYRKRNUNXKACT-UHFFFAOYSA-N -1 3 365.187 2.677 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)o1 ZINC000813760899 741760700 /nfs/dbraw/zinc/76/07/00/741760700.db2.gz FMEDIMWKOZSCLF-UHFFFAOYSA-N -1 3 371.390 2.770 20 5 FFBDHM C[C@@H]1[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000853485890 750072100 /nfs/dbraw/zinc/07/21/00/750072100.db2.gz QGLMXQHLWHFGJQ-GHMZBOCLSA-N -1 3 352.391 2.895 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000826253372 947728834 /nfs/dbraw/zinc/72/88/34/947728834.db2.gz NMTASWFKLGBSOY-RUDMXATFSA-N -1 3 365.349 2.840 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000826253372 947728845 /nfs/dbraw/zinc/72/88/45/947728845.db2.gz NMTASWFKLGBSOY-RUDMXATFSA-N -1 3 365.349 2.840 20 5 FFBDHM Cc1ccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000826285275 947820947 /nfs/dbraw/zinc/82/09/47/947820947.db2.gz UKPBPSKWDBXSMC-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1ccc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000826285275 947820953 /nfs/dbraw/zinc/82/09/53/947820953.db2.gz UKPBPSKWDBXSMC-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1ccnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1-c1nnn[n-]1 ZINC000826309436 947888000 /nfs/dbraw/zinc/88/80/00/947888000.db2.gz OTAMQCBUSVEIGJ-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM Cc1ccnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1-c1nn[n-]n1 ZINC000826309436 947888008 /nfs/dbraw/zinc/88/80/08/947888008.db2.gz OTAMQCBUSVEIGJ-UHFFFAOYSA-N -1 3 351.370 2.647 20 5 FFBDHM C[C@@H]1[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000311528748 963487458 /nfs/dbraw/zinc/48/74/58/963487458.db2.gz AKMGQLAZOWSZNK-IUODEOHRSA-N -1 3 356.382 2.763 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC000255619895 968403177 /nfs/dbraw/zinc/40/31/77/968403177.db2.gz DUKUNAIALWUEHD-YFHOEESVSA-N -1 3 366.333 2.910 20 5 FFBDHM COc1c([O-])ccc(CN2CCO[C@@H](COc3ccccc3)C2)c1[N+](=O)[O-] ZINC000893989459 977631031 /nfs/dbraw/zinc/63/10/31/977631031.db2.gz QJWJMLPYOOIGFA-MRXNPFEDSA-N -1 3 374.393 2.589 20 5 FFBDHM CC(C)c1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000784023624 981587001 /nfs/dbraw/zinc/58/70/01/981587001.db2.gz VBQGYBAVGCUCAA-UHFFFAOYSA-N -1 3 353.334 2.659 20 5 FFBDHM CCN1CCN(c2ccc(Nc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cc2)CC1 ZINC001596442506 984137685 /nfs/dbraw/zinc/13/76/85/984137685.db2.gz WJGBGCUXGLGJAN-UHFFFAOYSA-N -1 3 371.397 2.574 20 5 FFBDHM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000764922797 984813539 /nfs/dbraw/zinc/81/35/39/984813539.db2.gz XXFSGQYKJRZXNY-UHFFFAOYSA-N -1 3 366.333 2.965 20 5 FFBDHM CN(C(=O)CCN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC001598013244 990190914 /nfs/dbraw/zinc/19/09/14/990190914.db2.gz ZPCSVOWFKWUOGZ-IBGZPJMESA-N -1 3 371.393 2.537 20 5 FFBDHM COc1cccc2c(C(=O)OCc3ccc(OC)c([N+](=O)[O-])c3)n[n-]c21 ZINC000808673959 994217268 /nfs/dbraw/zinc/21/72/68/994217268.db2.gz LLYVHEUSKLRGLD-UHFFFAOYSA-N -1 3 357.322 2.845 20 5 FFBDHM COc1cccc2c(C(=O)OCc3ccc(OC)c([N+](=O)[O-])c3)[n-]nc21 ZINC000808673959 994217281 /nfs/dbraw/zinc/21/72/81/994217281.db2.gz LLYVHEUSKLRGLD-UHFFFAOYSA-N -1 3 357.322 2.845 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001133336958 995455918 /nfs/dbraw/zinc/45/59/18/995455918.db2.gz XABIGYRUNLENED-UHFFFAOYSA-N -1 3 368.296 2.534 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H]3COC[C@]3(c3ccccc3)C2)c1 ZINC000903626771 1016047783 /nfs/dbraw/zinc/04/77/83/1016047783.db2.gz IQSSNYVTYWQFCH-XLIONFOSSA-N -1 3 368.389 2.693 20 5 FFBDHM COc1ccc(OCCOC(=O)c2cc(-c3ccco3)[n-]n2)c([N+](=O)[O-])c1 ZINC000744663206 999867880 /nfs/dbraw/zinc/86/78/80/999867880.db2.gz PYQACCQJLYKHJI-UHFFFAOYSA-N -1 3 373.321 2.822 20 5 FFBDHM COc1ccc(OCCOC(=O)c2cc(-c3ccco3)n[n-]2)c([N+](=O)[O-])c1 ZINC000744663206 999867883 /nfs/dbraw/zinc/86/78/83/999867883.db2.gz PYQACCQJLYKHJI-UHFFFAOYSA-N -1 3 373.321 2.822 20 5 FFBDHM CC(C)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000737593979 999966294 /nfs/dbraw/zinc/96/62/94/999966294.db2.gz ZEUBHEPEHBILTF-UHFFFAOYSA-N -1 3 370.409 2.937 20 5 FFBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766485348 999997371 /nfs/dbraw/zinc/99/73/71/999997371.db2.gz WQJAQUUWJYKHKT-UHFFFAOYSA-N -1 3 352.285 2.577 20 5 FFBDHM CCN1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)CC1 ZINC000768930255 1000390690 /nfs/dbraw/zinc/39/06/90/1000390690.db2.gz VBUCPGKIOCRPJH-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2occc2[n-]1 ZINC000786034970 1001522998 /nfs/dbraw/zinc/52/29/98/1001522998.db2.gz YTEDFPLCZNOTBZ-CQSZACIVSA-N -1 3 355.306 2.631 20 5 FFBDHM O=C(Nc1nc2ccccc2n1CC1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184349140 1002577313 /nfs/dbraw/zinc/57/73/13/1002577313.db2.gz WRMHBNWFMJRGAB-UHFFFAOYSA-N -1 3 353.338 2.707 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])s1 ZINC001191802283 1003960028 /nfs/dbraw/zinc/96/00/28/1003960028.db2.gz VGHSOSAQLPRAOH-SMDDNHRTSA-N -1 3 370.452 2.674 20 5 FFBDHM Cc1c(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cccc1[N+](=O)[O-] ZINC001197598111 1004292959 /nfs/dbraw/zinc/29/29/59/1004292959.db2.gz DOQBXQLCZSTHLH-ZETCQYMHSA-N -1 3 358.280 2.923 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1c2ccccc2OC[C@H]1F ZINC001194681387 1004791592 /nfs/dbraw/zinc/79/15/92/1004791592.db2.gz MHKGRJUWXJGXLQ-IUODEOHRSA-N -1 3 366.370 2.653 20 5 FFBDHM CCCCOC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000776425335 1005650817 /nfs/dbraw/zinc/65/08/17/1005650817.db2.gz LDXKTJZQTVDOEK-UHFFFAOYSA-N -1 3 359.338 2.905 20 5 FFBDHM O=C(O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000776559097 1005933290 /nfs/dbraw/zinc/93/32/90/1005933290.db2.gz JFGVXKFOVHAHLV-MRXNPFEDSA-N -1 3 355.394 2.843 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c([N+](=O)[O-])s1 ZINC001187207522 1005977157 /nfs/dbraw/zinc/97/71/57/1005977157.db2.gz AQCCYUZVDABXPC-UHFFFAOYSA-N -1 3 356.425 2.581 20 5 FFBDHM CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])N(C)C)cc1 ZINC001135714550 1007236751 /nfs/dbraw/zinc/23/67/51/1007236751.db2.gz LFQPLKGXUAVFIW-KRWDZBQOSA-N -1 3 357.410 2.896 20 5 FFBDHM COc1cccc([C@H](O)C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC000858847927 1008436004 /nfs/dbraw/zinc/43/60/04/1008436004.db2.gz OGPHAPVTCSGVPS-QGZVFWFLSA-N -1 3 359.382 2.654 20 5 FFBDHM CCc1cccnc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212838492 1009484613 /nfs/dbraw/zinc/48/46/13/1009484613.db2.gz UTHVIRCPXPGVIJ-UHFFFAOYSA-N -1 3 365.147 2.755 20 5 FFBDHM CCc1cccnc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212838492 1009484623 /nfs/dbraw/zinc/48/46/23/1009484623.db2.gz UTHVIRCPXPGVIJ-UHFFFAOYSA-N -1 3 365.147 2.755 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)cc1[N+](=O)[O-] ZINC001212844394 1009555251 /nfs/dbraw/zinc/55/52/51/1009555251.db2.gz RHQNMLIBYXXUAV-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3ccc(-n4ccnc4)cc3)no2)cc1[N+](=O)[O-] ZINC001212844473 1009556725 /nfs/dbraw/zinc/55/67/25/1009556725.db2.gz VMTYFFRIDYTCIO-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM COc1cc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)cc(OC)c1[O-] ZINC000803405735 1020800606 /nfs/dbraw/zinc/80/06/06/1020800606.db2.gz GYDJHDNNAMBEBX-UHFFFAOYSA-N -1 3 369.276 2.953 20 5 FFBDHM O=C([N-]c1nncn1-c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778513725 1022058695 /nfs/dbraw/zinc/05/86/95/1022058695.db2.gz JDCXAGOJVSVKMK-UHFFFAOYSA-N -1 3 359.292 2.906 20 5 FFBDHM C[C@H]1CC[C@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C[NH2+]1 ZINC001218408456 1033141296 /nfs/dbraw/zinc/14/12/96/1033141296.db2.gz QUZDWHNZMIWERS-ONGXEEELSA-N -1 3 357.362 2.582 20 5 FFBDHM CCCSc1nc(O[C@@H]2CNCc3ccccc32)c([N+](=O)[O-])c(=O)[n-]1 ZINC001218485712 1033177074 /nfs/dbraw/zinc/17/70/74/1033177074.db2.gz ATOYCUZBKYSKBO-GFCCVEGCSA-N -1 3 362.411 2.816 20 5 FFBDHM O=C(Nc1cc(F)ccc1[O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000759700956 1024728420 /nfs/dbraw/zinc/72/84/20/1024728420.db2.gz HTGZUZHHRIVZNT-UHFFFAOYSA-N -1 3 361.329 2.528 20 5 FFBDHM COc1cc(F)c(F)cc1-c1noc(-c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001212935837 1027436582 /nfs/dbraw/zinc/43/65/82/1027436582.db2.gz PNNLWWDGTSKRGG-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM CCOC(=O)[C@@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])c2ccccc2O1 ZINC001225664504 1034357711 /nfs/dbraw/zinc/35/77/11/1034357711.db2.gz PMEKUZYSARHQQI-KBPBESRZSA-N -1 3 360.322 2.530 20 5 FFBDHM CCOC(=O)[C@H](C)[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(F)(F)F ZINC001228686092 1036255858 /nfs/dbraw/zinc/25/58/58/1036255858.db2.gz LRISSHIUIBSMHO-KBUNVGBDSA-N -1 3 352.265 2.513 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc(=S)[n-]c2sccc21 ZINC001229570645 1036751854 /nfs/dbraw/zinc/75/18/54/1036751854.db2.gz UCYRAWCCKJVASI-ZETCQYMHSA-N -1 3 351.413 2.861 20 5 FFBDHM O=c1nc(O[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231073229 1037455851 /nfs/dbraw/zinc/45/58/51/1037455851.db2.gz YZJLBTOZXISCTE-LBPRGKRZSA-N -1 3 364.789 2.787 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CC=C(Cl)Cl ZINC001213799512 1040925131 /nfs/dbraw/zinc/92/51/31/1040925131.db2.gz IBJYEPHASCSXNB-UHFFFAOYSA-N -1 3 362.194 2.740 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2c2ccccc2)nc1 ZINC001309529805 1043424370 /nfs/dbraw/zinc/42/43/70/1043424370.db2.gz WVXQYCWAKXWIDS-ZBFHGGJFSA-N -1 3 361.423 2.852 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001310798046 1043743087 /nfs/dbraw/zinc/74/30/87/1043743087.db2.gz VWGIAZUWZINQNZ-RXMQYKEDSA-N -1 3 362.243 2.754 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/C2CC2)c(Br)c1 ZINC001324486770 1046058463 /nfs/dbraw/zinc/05/84/63/1046058463.db2.gz BFCSLVPWRKZBFF-OWOJBTEDSA-N -1 3 361.217 2.602 20 5 FFBDHM O=C(Nc1c([O-])cccc1Cl)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001298549886 1050471748 /nfs/dbraw/zinc/47/17/48/1050471748.db2.gz CZINPBOCVVFXTG-UHFFFAOYSA-N -1 3 373.756 2.846 20 5 FFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1nccc2cccnc21 ZINC001349072228 1055076951 /nfs/dbraw/zinc/07/69/51/1055076951.db2.gz BQVBHNCMCUXGAV-UHFFFAOYSA-N -1 3 366.333 2.952 20 5 FFBDHM CCOc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001456390725 1060112424 /nfs/dbraw/zinc/11/24/24/1060112424.db2.gz XHDCWGUJPLFQLP-SSDOTTSWSA-N -1 3 373.291 2.621 20 5 FFBDHM COc1cnccc1[C@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848591286 1060322811 /nfs/dbraw/zinc/32/28/11/1060322811.db2.gz AHOQQFHJHRTKLV-JTQLQIEISA-N -1 3 367.308 2.847 20 5 FFBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1OC(F)F ZINC001457952368 1060478984 /nfs/dbraw/zinc/47/89/84/1060478984.db2.gz SRYWVABTCACFDR-UHFFFAOYSA-N -1 3 355.253 2.558 20 5 FFBDHM CC(C)(C)OC(=O)N[C@H]1CCCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001458536316 1060615834 /nfs/dbraw/zinc/61/58/34/1060615834.db2.gz KYCOTZHMHFHWTI-LBPRGKRZSA-N -1 3 366.418 2.969 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001475188592 1060989194 /nfs/dbraw/zinc/98/91/94/1060989194.db2.gz JFZGQEABBLELCK-RYUDHWBXSA-N -1 3 360.407 2.526 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@]23CCCO3)c(Cl)c1 ZINC001475619983 1061168934 /nfs/dbraw/zinc/16/89/34/1061168934.db2.gz WCKFHDAEUKPXKT-KGLIPLIRSA-N -1 3 360.819 2.628 20 5 FFBDHM Cc1noc(C)c1CCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001463311406 1062045086 /nfs/dbraw/zinc/04/50/86/1062045086.db2.gz ZPOTWUFAZFUSBD-UHFFFAOYSA-N -1 3 371.390 2.558 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC001441994764 1063489810 /nfs/dbraw/zinc/48/98/10/1063489810.db2.gz RIEVLMCKPAQCCP-UHFFFAOYSA-N -1 3 365.729 2.778 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469324741 1064127139 /nfs/dbraw/zinc/12/71/39/1064127139.db2.gz YFYAIEYLHIRALW-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469324741 1064127146 /nfs/dbraw/zinc/12/71/46/1064127146.db2.gz YFYAIEYLHIRALW-UHFFFAOYSA-N -1 3 362.342 2.534 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001470698003 1064413856 /nfs/dbraw/zinc/41/38/56/1064413856.db2.gz NSWGYCKRNFQUAF-RMKNXTFCSA-N -1 3 354.366 2.688 20 5 FFBDHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001470777722 1064448705 /nfs/dbraw/zinc/44/87/05/1064448705.db2.gz MANFZIOZHUQHMR-KUHUBIRLSA-N -1 3 369.421 2.941 20 5 FFBDHM CC1(C)CCc2onc(CNc3cc(-c4nnn[n-]4)ccc3[N+](=O)[O-])c2C1 ZINC001575694278 1078165285 /nfs/dbraw/zinc/16/52/85/1078165285.db2.gz YATIJLKKUHRCDO-UHFFFAOYSA-N -1 3 369.385 2.890 20 5 FFBDHM CC1(C)CCc2onc(CNc3cc(-c4nn[n-]n4)ccc3[N+](=O)[O-])c2C1 ZINC001575694278 1078165286 /nfs/dbraw/zinc/16/52/86/1078165286.db2.gz YATIJLKKUHRCDO-UHFFFAOYSA-N -1 3 369.385 2.890 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C12CCCC2 ZINC001475039110 1065682618 /nfs/dbraw/zinc/68/26/18/1065682618.db2.gz WSJQWQXUQLENHF-QWHCGFSZSA-N -1 3 374.484 2.981 20 5 FFBDHM COc1cc(F)cc(C[C@@H](C)Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001579933063 1078718250 /nfs/dbraw/zinc/71/82/50/1078718250.db2.gz KDJWMTOPLWJJJJ-SNVBAGLBSA-N -1 3 372.360 2.966 20 5 FFBDHM COc1cc(F)cc(C[C@@H](C)Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001579933063 1078718255 /nfs/dbraw/zinc/71/82/55/1078718255.db2.gz KDJWMTOPLWJJJJ-SNVBAGLBSA-N -1 3 372.360 2.966 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc([N+](=O)[O-])c(F)c1F ZINC001579967036 1078725163 /nfs/dbraw/zinc/72/51/63/1078725163.db2.gz KTBASJXMJDGQFI-UHFFFAOYSA-N -1 3 363.280 2.641 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc([N+](=O)[O-])c(F)c1F ZINC001579967036 1078725169 /nfs/dbraw/zinc/72/51/69/1078725169.db2.gz KTBASJXMJDGQFI-UHFFFAOYSA-N -1 3 363.280 2.641 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(C(=O)Oc2cc(C)c(-c3nn[n-]n3)c(C)c2C)n1 ZINC001581044629 1078910999 /nfs/dbraw/zinc/91/09/99/1078910999.db2.gz IPSCFJIREFIBLZ-UHFFFAOYSA-N -1 3 368.353 2.623 20 5 FFBDHM Cc1ccc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC001581207782 1078937912 /nfs/dbraw/zinc/93/79/12/1078937912.db2.gz XFMMRPMVUQPKII-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM Cc1ccc(NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC001581207782 1078937919 /nfs/dbraw/zinc/93/79/19/1078937919.db2.gz XFMMRPMVUQPKII-UHFFFAOYSA-N -1 3 352.354 2.952 20 5 FFBDHM COc1c([O-])ccc(CNc2cccc([C@@H]3CCC(=O)N3)c2)c1[N+](=O)[O-] ZINC001560888587 1076306792 /nfs/dbraw/zinc/30/67/92/1076306792.db2.gz GYAYROSCLXCLLX-AWEZNQCLSA-N -1 3 357.366 2.872 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c(F)cc1[N+](=O)[O-] ZINC001561093025 1076331664 /nfs/dbraw/zinc/33/16/64/1076331664.db2.gz DZCHVFZHZHZFMT-GFCCVEGCSA-N -1 3 354.359 2.991 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@]2(C)c2ccccc2)c([N+](=O)[O-])s1 ZINC001561315594 1076361204 /nfs/dbraw/zinc/36/12/04/1076361204.db2.gz DHXRQNBITSSGBO-UKRRQHHQSA-N -1 3 352.437 2.973 20 5 FFBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCCO1 ZINC001561852987 1076434408 /nfs/dbraw/zinc/43/44/08/1076434408.db2.gz BPIJNVPNBDBNMA-ZDUSSCGKSA-N -1 3 362.835 2.874 20 5 FFBDHM C[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589016154 1080305749 /nfs/dbraw/zinc/30/57/49/1080305749.db2.gz YWRQFHLQEPBBEU-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001589016154 1080305753 /nfs/dbraw/zinc/30/57/53/1080305753.db2.gz YWRQFHLQEPBBEU-QMMMGPOBSA-N -1 3 374.307 2.795 20 5 FFBDHM CC(C)c1noc(CSCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])n1 ZINC001589779394 1080734182 /nfs/dbraw/zinc/73/41/82/1080734182.db2.gz AWERTZXHWCIKOW-UHFFFAOYSA-N -1 3 361.387 2.715 20 5 FFBDHM CC(C)c1noc(CSCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])n1 ZINC001589779394 1080734190 /nfs/dbraw/zinc/73/41/90/1080734190.db2.gz AWERTZXHWCIKOW-UHFFFAOYSA-N -1 3 361.387 2.715 20 5 FFBDHM C[C@H](CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])Oc1ccccc1F ZINC001589876568 1080825684 /nfs/dbraw/zinc/82/56/84/1080825684.db2.gz ZOQQUEXQASFZSV-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])Oc1ccccc1F ZINC001589876568 1080825690 /nfs/dbraw/zinc/82/56/90/1080825690.db2.gz ZOQQUEXQASFZSV-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001589935864 1080879916 /nfs/dbraw/zinc/87/99/16/1080879916.db2.gz AAGKVSXBRYCCBR-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001589935864 1080879919 /nfs/dbraw/zinc/87/99/19/1080879919.db2.gz AAGKVSXBRYCCBR-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589983718 1080921651 /nfs/dbraw/zinc/92/16/51/1080921651.db2.gz YSCKOEWWFHVLGQ-QMMMGPOBSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001589983718 1080921654 /nfs/dbraw/zinc/92/16/54/1080921654.db2.gz YSCKOEWWFHVLGQ-QMMMGPOBSA-N -1 3 366.341 2.530 20 5 FFBDHM CC1(C)SC[C@@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590116193 1081025233 /nfs/dbraw/zinc/02/52/33/1081025233.db2.gz DXXCDHHHPWXDPC-LBPRGKRZSA-N -1 3 357.399 2.629 20 5 FFBDHM CC1(C)SC[C@@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001590116193 1081025240 /nfs/dbraw/zinc/02/52/40/1081025240.db2.gz DXXCDHHHPWXDPC-LBPRGKRZSA-N -1 3 357.399 2.629 20 5 FFBDHM C[C@H]1[C@H](C(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590164128 1081064041 /nfs/dbraw/zinc/06/40/41/1081064041.db2.gz AZVLZYGBSVWEKQ-GZMMTYOYSA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590214434 1081097468 /nfs/dbraw/zinc/09/74/68/1081097468.db2.gz PUGWTCQYADWSPJ-MFKMUULPSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590214434 1081097477 /nfs/dbraw/zinc/09/74/77/1081097477.db2.gz PUGWTCQYADWSPJ-MFKMUULPSA-N -1 3 369.360 2.691 20 5 FFBDHM CC(C)N(C)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000444172767 514144515 /nfs/dbraw/zinc/14/45/15/514144515.db2.gz RWTKCLKLCDBMHJ-UHFFFAOYSA-N -1 3 370.258 2.520 20 5 FFBDHM C[C@](O)(C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000272435727 252038292 /nfs/dbraw/zinc/03/82/92/252038292.db2.gz ZJJIQOUZRWGTOP-AWEZNQCLSA-N -1 3 356.350 2.772 20 5 FFBDHM C[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ncnn1C ZINC000276924943 256143418 /nfs/dbraw/zinc/14/34/18/256143418.db2.gz PANOOWMKWJKQGB-ZCFIWIBFSA-N -1 3 360.252 2.823 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](SC)C1 ZINC000330842414 258171602 /nfs/dbraw/zinc/17/16/02/258171602.db2.gz MSYYSQPJMWBSRX-CMPLNLGQSA-N -1 3 360.457 2.556 20 5 FFBDHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000331174304 258179245 /nfs/dbraw/zinc/17/92/45/258179245.db2.gz OZFXVFKHSSCEJK-YPMHNXCESA-N -1 3 374.484 2.946 20 5 FFBDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000331204450 258179846 /nfs/dbraw/zinc/17/98/46/258179846.db2.gz OFGHHFVSHKYHFM-TZMCWYRMSA-N -1 3 374.484 2.946 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1 ZINC000032434000 506253455 /nfs/dbraw/zinc/25/34/55/506253455.db2.gz ZPKAWMRQVOLDEG-UHFFFAOYSA-N -1 3 364.423 2.860 20 5 FFBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc2ccccc2n1 ZINC000010965517 506759358 /nfs/dbraw/zinc/75/93/58/506759358.db2.gz VEYVAKFUHVKORV-UHFFFAOYSA-N -1 3 366.333 2.952 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccc(C)cc1 ZINC000056118137 506940334 /nfs/dbraw/zinc/94/03/34/506940334.db2.gz PEYHUAUMWKYNOC-GFCCVEGCSA-N -1 3 350.396 2.951 20 5 FFBDHM CC(C)n1ncc2c1[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CCC2 ZINC000373405839 512314149 /nfs/dbraw/zinc/31/41/49/512314149.db2.gz GILZEKUAFJQAPG-ZDUSSCGKSA-N -1 3 364.427 2.728 20 5 FFBDHM CCOC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000046305456 507114305 /nfs/dbraw/zinc/11/43/05/507114305.db2.gz UETSJCIPSSXEPR-UHFFFAOYSA-N -1 3 354.322 2.900 20 5 FFBDHM COc1ccc(NC(C)=O)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000046316991 507115902 /nfs/dbraw/zinc/11/59/02/507115902.db2.gz XGEPHVZOELRYFK-UHFFFAOYSA-N -1 3 369.337 2.690 20 5 FFBDHM CCn1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1=O ZINC000047211643 507283758 /nfs/dbraw/zinc/28/37/58/507283758.db2.gz XMPRFOBDISONHN-UHFFFAOYSA-N -1 3 371.802 2.539 20 5 FFBDHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025383661 507496726 /nfs/dbraw/zinc/49/67/26/507496726.db2.gz CVPDMRADKRYSGM-CQSZACIVSA-N -1 3 361.423 2.929 20 5 FFBDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000026238151 507571072 /nfs/dbraw/zinc/57/10/72/507571072.db2.gz SKUGJBWOXZNYAR-UHFFFAOYSA-N -1 3 368.342 2.630 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCN(CC3CCCC3)CC2)s1 ZINC000063311245 507715350 /nfs/dbraw/zinc/71/53/50/507715350.db2.gz WOCYJHSNSUNJLW-UHFFFAOYSA-N -1 3 373.500 2.589 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000072715034 507845802 /nfs/dbraw/zinc/84/58/02/507845802.db2.gz RRPSYPVJPNHWBR-ZDUSSCGKSA-N -1 3 364.851 2.978 20 5 FFBDHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000114799318 508348623 /nfs/dbraw/zinc/34/86/23/508348623.db2.gz YBYRKRZQXICWRP-INIZCTEOSA-N -1 3 355.394 2.695 20 5 FFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000116378492 508505799 /nfs/dbraw/zinc/50/57/99/508505799.db2.gz VSZFXSORPCLSQM-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000152988198 508537463 /nfs/dbraw/zinc/53/74/63/508537463.db2.gz YMEFRHFQZWAUOK-JTQLQIEISA-N -1 3 372.472 2.956 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000157245963 508542479 /nfs/dbraw/zinc/54/24/79/508542479.db2.gz ZINQJGSEWMLOSH-FHLIZLRMSA-N -1 3 374.418 2.610 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000122737813 508580582 /nfs/dbraw/zinc/58/05/82/508580582.db2.gz BCIBWJRPUATWCI-AWEZNQCLSA-N -1 3 369.468 2.546 20 5 FFBDHM Cc1cnc(OCc2nc(=O)c3c4c(sc3[n-]2)CCC4)c([N+](=O)[O-])c1 ZINC000157924360 508633543 /nfs/dbraw/zinc/63/35/43/508633543.db2.gz ZODPKUOOZABGDF-UHFFFAOYSA-N -1 3 358.379 2.664 20 5 FFBDHM CCOc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123192852 508649768 /nfs/dbraw/zinc/64/97/68/508649768.db2.gz QVMCJKSGYZNTLG-UHFFFAOYSA-N -1 3 356.425 2.842 20 5 FFBDHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000129181933 508694042 /nfs/dbraw/zinc/69/40/42/508694042.db2.gz DKUQCYJAFXKDAL-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CN1Cc1ccccc1 ZINC000119188589 508743807 /nfs/dbraw/zinc/74/38/07/508743807.db2.gz ZYNNKEQWXAMUKV-CZUORRHYSA-N -1 3 355.394 2.693 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000119348345 508777425 /nfs/dbraw/zinc/77/74/25/508777425.db2.gz VEXDGKXTVHIYIM-LBPRGKRZSA-N -1 3 369.399 2.638 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000119369973 508782843 /nfs/dbraw/zinc/78/28/43/508782843.db2.gz KJLVTOZPBZMBSV-GFCCVEGCSA-N -1 3 353.400 2.938 20 5 FFBDHM Cc1noc(C2CC2)c1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000159063311 508788125 /nfs/dbraw/zinc/78/81/25/508788125.db2.gz DFGKKUKWZQRTHG-UHFFFAOYSA-N -1 3 354.326 2.602 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nccs1 ZINC000151459125 509021535 /nfs/dbraw/zinc/02/15/35/509021535.db2.gz VNPIOEHLLYTGMG-CQSZACIVSA-N -1 3 371.440 2.664 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000125777233 509028745 /nfs/dbraw/zinc/02/87/45/509028745.db2.gz IMPUVFNFAZBOMG-MRVPVSSYSA-N -1 3 374.465 2.966 20 5 FFBDHM O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121009722 509109387 /nfs/dbraw/zinc/10/93/87/509109387.db2.gz PHGLBRRCFUVCTN-UHFFFAOYSA-N -1 3 367.243 2.843 20 5 FFBDHM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121009722 509109392 /nfs/dbraw/zinc/10/93/92/509109392.db2.gz PHGLBRRCFUVCTN-UHFFFAOYSA-N -1 3 367.243 2.843 20 5 FFBDHM CSc1nsc([N-]C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000156057803 509118441 /nfs/dbraw/zinc/11/84/41/509118441.db2.gz UIKOKTHEUHQAEO-UHFFFAOYSA-N -1 3 362.396 2.606 20 5 FFBDHM Cc1nc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sc1C ZINC000121131583 509134453 /nfs/dbraw/zinc/13/44/53/509134453.db2.gz PZIIYQIJCBNZJB-UHFFFAOYSA-N -1 3 355.441 2.763 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)[n-]c21 ZINC000162537269 509246660 /nfs/dbraw/zinc/24/66/60/509246660.db2.gz YNBXOPILMNAPOY-UHFFFAOYSA-N -1 3 368.349 2.747 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc([N+](=O)[O-])c3C)nc21 ZINC000162537269 509246666 /nfs/dbraw/zinc/24/66/66/509246666.db2.gz YNBXOPILMNAPOY-UHFFFAOYSA-N -1 3 368.349 2.747 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000162656382 509274072 /nfs/dbraw/zinc/27/40/72/509274072.db2.gz UDXOINFBSSOGNB-AAEUAGOBSA-N -1 3 374.846 2.793 20 5 FFBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000248608088 509388219 /nfs/dbraw/zinc/38/82/19/509388219.db2.gz VWHLQTZXCJDQBM-CQDKDKBSSA-N -1 3 372.381 2.863 20 5 FFBDHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000189152787 509437871 /nfs/dbraw/zinc/43/78/71/509437871.db2.gz IYPXBGHURIRMTQ-GFCCVEGCSA-N -1 3 365.411 2.655 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000248905164 509537509 /nfs/dbraw/zinc/53/75/09/509537509.db2.gz UULJPSMVWTWOMK-XJKSGUPXSA-N -1 3 355.394 2.551 20 5 FFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000267600061 509560406 /nfs/dbraw/zinc/56/04/06/509560406.db2.gz DKPKMUJEEIHZCZ-JTQLQIEISA-N -1 3 371.440 2.546 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)s1 ZINC000173811632 509792462 /nfs/dbraw/zinc/79/24/62/509792462.db2.gz HXHMWYFGSSSDQA-UHFFFAOYSA-N -1 3 355.441 2.655 20 5 FFBDHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3ccc(O)cc3)cs2)c1[N+](=O)[O-] ZINC000173870919 509826502 /nfs/dbraw/zinc/82/65/02/509826502.db2.gz AIKRYXUYKKINTI-UHFFFAOYSA-N -1 3 359.367 2.962 20 5 FFBDHM Nc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000193377626 509887613 /nfs/dbraw/zinc/88/76/13/509887613.db2.gz MVAZRGJBQOLVDO-UHFFFAOYSA-N -1 3 356.382 2.738 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2CCSCC2)c1 ZINC000183621696 509890649 /nfs/dbraw/zinc/89/06/49/509890649.db2.gz YBFYAQQVXHIHFU-UHFFFAOYSA-N -1 3 350.849 2.731 20 5 FFBDHM O=C(Nc1cc(Br)c(F)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000190240424 510021633 /nfs/dbraw/zinc/02/16/33/510021633.db2.gz DSDNEJJGCUXMDQ-UHFFFAOYSA-N -1 3 374.097 2.988 20 5 FFBDHM COCCn1ccc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc21 ZINC000193798791 510076388 /nfs/dbraw/zinc/07/63/88/510076388.db2.gz ATFWOQHZFYEGMM-UHFFFAOYSA-N -1 3 356.338 2.549 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000193985487 510162656 /nfs/dbraw/zinc/16/26/56/510162656.db2.gz YGKZCGGIGZWBQP-UHFFFAOYSA-N -1 3 362.816 2.797 20 5 FFBDHM Cc1cc([N-]C(=O)COc2ccc([N+](=O)[O-])cc2Br)on1 ZINC000194606965 510442132 /nfs/dbraw/zinc/44/21/32/510442132.db2.gz JZOUWXRLRCJZEC-UHFFFAOYSA-N -1 3 356.132 2.671 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccoc2Br)cc([N+](=O)[O-])c1 ZINC000194731555 510499413 /nfs/dbraw/zinc/49/94/13/510499413.db2.gz VGVIZZCYKNRKFK-UHFFFAOYSA-N -1 3 369.127 2.989 20 5 FFBDHM O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185054016 510658518 /nfs/dbraw/zinc/65/85/18/510658518.db2.gz QTNXMOSACCXGCV-UHFFFAOYSA-N -1 3 369.421 2.737 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)c1 ZINC000178722915 510738532 /nfs/dbraw/zinc/73/85/32/510738532.db2.gz BMTBTOJNBNGDRK-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270612272 510923702 /nfs/dbraw/zinc/92/37/02/510923702.db2.gz YNFOLCGXBFWJJI-MRVPVSSYSA-N -1 3 373.822 2.529 20 5 FFBDHM CCOC(=O)c1nc([N-]C(=O)c2cc(OCC)ccc2[N+](=O)[O-])oc1C ZINC000283341442 511328142 /nfs/dbraw/zinc/32/81/42/511328142.db2.gz YMTUIVNBBCDMOK-UHFFFAOYSA-N -1 3 363.326 2.719 20 5 FFBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1csc([N+](=O)[O-])c1 ZINC000365776719 511649031 /nfs/dbraw/zinc/64/90/31/511649031.db2.gz BOXKKVGDZGOIDY-UHFFFAOYSA-N -1 3 363.786 2.779 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000292934313 511777415 /nfs/dbraw/zinc/77/74/15/511777415.db2.gz ZKHDXXSSETZDAW-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)n[n-]2)o1 ZINC000350921003 511908858 /nfs/dbraw/zinc/90/88/58/511908858.db2.gz CUNZEYSFAHLSIZ-UHFFFAOYSA-N -1 3 355.314 2.645 20 5 FFBDHM Cc1ccc(-c2cc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)[n-]n2)o1 ZINC000350921003 511908864 /nfs/dbraw/zinc/90/88/64/511908864.db2.gz CUNZEYSFAHLSIZ-UHFFFAOYSA-N -1 3 355.314 2.645 20 5 FFBDHM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274982397 512006257 /nfs/dbraw/zinc/00/62/57/512006257.db2.gz LSFDPWYEAPSJMP-UHFFFAOYSA-N -1 3 372.381 2.642 20 5 FFBDHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000297121099 512027510 /nfs/dbraw/zinc/02/75/10/512027510.db2.gz PSAFZQIFPZROSK-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM O=C([O-])c1cnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000388460754 512896911 /nfs/dbraw/zinc/89/69/11/512896911.db2.gz BZRFNFIOHPVVRU-AWEZNQCLSA-N -1 3 356.382 2.622 20 5 FFBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000392816766 512928517 /nfs/dbraw/zinc/92/85/17/512928517.db2.gz YWAIUUQCWGQVLO-RISCZKNCSA-N -1 3 370.427 2.629 20 5 FFBDHM CO[C@@H](CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417635071 513127648 /nfs/dbraw/zinc/12/76/48/513127648.db2.gz VUZLOADHOHTHSP-KRWDZBQOSA-N -1 3 359.382 2.552 20 5 FFBDHM CC(C)C(C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000447772212 513565991 /nfs/dbraw/zinc/56/59/91/513565991.db2.gz HUAWTRHZYQNDND-UHFFFAOYSA-N -1 3 372.443 2.573 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000435585282 513626372 /nfs/dbraw/zinc/62/63/72/513626372.db2.gz QSDMRLMJCBHRDR-MQMHXKEQSA-N -1 3 350.371 2.958 20 5 FFBDHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000451606025 513862655 /nfs/dbraw/zinc/86/26/55/513862655.db2.gz GEOBSHBERJBTPL-UHFFFAOYSA-N -1 3 359.354 2.857 20 5 FFBDHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)ccc1[N+](=O)[O-] ZINC000451639458 513880843 /nfs/dbraw/zinc/88/08/43/513880843.db2.gz IBYOFQZKFACIOU-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000451659187 513894456 /nfs/dbraw/zinc/89/44/56/513894456.db2.gz AKOWTYZDFCKIDZ-UHFFFAOYSA-N -1 3 355.441 2.616 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC=C(C)C ZINC000451742687 513951930 /nfs/dbraw/zinc/95/19/30/513951930.db2.gz RMLKVDJUBIPGMP-GFCCVEGCSA-N -1 3 370.427 2.795 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c(Cl)c1 ZINC000451822554 514004108 /nfs/dbraw/zinc/00/41/08/514004108.db2.gz KMHQWACURFQIIL-MRVPVSSYSA-N -1 3 354.762 2.962 20 5 FFBDHM CO[C@@](C)(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000451828938 514009936 /nfs/dbraw/zinc/00/99/36/514009936.db2.gz SLXMWUCUURKJPB-HNNXBMFYSA-N -1 3 370.452 2.805 20 5 FFBDHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000451991662 514116608 /nfs/dbraw/zinc/11/66/08/514116608.db2.gz KWRYZYZOQGVKMX-LBPRGKRZSA-N -1 3 367.452 2.906 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCN(C)C)c([N+](=O)[O-])c1 ZINC000438235348 514334417 /nfs/dbraw/zinc/33/44/17/514334417.db2.gz NWXZZDWDCBZDKJ-UHFFFAOYSA-N -1 3 363.439 2.808 20 5 FFBDHM COc1ccc(-c2ccc(CNCCSCC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000417630337 514444382 /nfs/dbraw/zinc/44/43/82/514444382.db2.gz YBFCHOJTTSDVMY-UHFFFAOYSA-N -1 3 366.395 2.771 20 5 FFBDHM CC(=O)Nc1ccc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc2c1 ZINC000484268144 514612368 /nfs/dbraw/zinc/61/23/68/514612368.db2.gz MBYLUDPGZGIJGP-UHFFFAOYSA-N -1 3 373.350 2.516 20 5 FFBDHM Cc1c(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)sc2nccn12 ZINC000485005556 514870200 /nfs/dbraw/zinc/87/02/00/514870200.db2.gz NVNHZJSLKNOSNU-UHFFFAOYSA-N -1 3 369.366 2.650 20 5 FFBDHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467056151 514879595 /nfs/dbraw/zinc/87/95/95/514879595.db2.gz GFPBUYIJMUEDMQ-SECBINFHSA-N -1 3 355.441 2.962 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H](OC(C)C)C2(C)C)cc1[N+](=O)[O-] ZINC000467059407 514881702 /nfs/dbraw/zinc/88/17/02/514881702.db2.gz UMLDPDKMMRJPLL-NEPJUHHUSA-N -1 3 362.473 2.835 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c1[N+](=O)[O-] ZINC000480688622 515045753 /nfs/dbraw/zinc/04/57/53/515045753.db2.gz KQXNFETYFRMLNA-AWEZNQCLSA-N -1 3 360.391 2.818 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000480726151 515059800 /nfs/dbraw/zinc/05/98/00/515059800.db2.gz LMAQSJSMBMNPEE-SNVBAGLBSA-N -1 3 354.359 2.782 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000456344629 515113480 /nfs/dbraw/zinc/11/34/80/515113480.db2.gz RRQSDDIRUROHFG-OAHLLOKOSA-N -1 3 369.421 2.895 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467811922 515133076 /nfs/dbraw/zinc/13/30/76/515133076.db2.gz QUKDAWBIECCGFG-UHFFFAOYSA-N -1 3 358.304 2.866 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccco1 ZINC000503774330 515139508 /nfs/dbraw/zinc/13/95/08/515139508.db2.gz ONXUNTBGMRWBKW-CQSZACIVSA-N -1 3 368.411 2.861 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c1C ZINC000480949991 515146944 /nfs/dbraw/zinc/14/69/44/515146944.db2.gz HIPMHLUPASFURC-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)N2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000481039718 515184307 /nfs/dbraw/zinc/18/43/07/515184307.db2.gz OBDLGICHQJMMJN-GJZGRUSLSA-N -1 3 369.487 2.753 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)Cc2cccc(O)c2)c1[N+](=O)[O-] ZINC000481062166 515191694 /nfs/dbraw/zinc/19/16/94/515191694.db2.gz QIVKYUCFZFIYGL-ZDUSSCGKSA-N -1 3 364.423 2.827 20 5 FFBDHM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000490537085 515240355 /nfs/dbraw/zinc/24/03/55/515240355.db2.gz UEBSQAKUAAWYMO-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM COc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509773978 515321625 /nfs/dbraw/zinc/32/16/25/515321625.db2.gz BGMCZXRTKYWBOS-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000456683477 515348798 /nfs/dbraw/zinc/34/87/98/515348798.db2.gz BJTQOIABDQKPBF-UHFFFAOYSA-N -1 3 364.446 2.668 20 5 FFBDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000499642102 515397320 /nfs/dbraw/zinc/39/73/20/515397320.db2.gz MKSYPSBAKGDWCW-PRHODGIISA-N -1 3 363.233 2.824 20 5 FFBDHM CC[C@@H](C)N[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000510363077 515515696 /nfs/dbraw/zinc/51/56/96/515515696.db2.gz KKPIBXDGDOIKIG-OLZOCXBDSA-N -1 3 367.427 2.596 20 5 FFBDHM CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000482057829 515559651 /nfs/dbraw/zinc/55/96/51/515559651.db2.gz YRCMACHSEISGOR-UHFFFAOYSA-N -1 3 350.762 2.663 20 5 FFBDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000463848655 515639836 /nfs/dbraw/zinc/63/98/36/515639836.db2.gz KHOYVFQXVZWFAG-KGLIPLIRSA-N -1 3 360.407 2.604 20 5 FFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1F ZINC000478087889 515697144 /nfs/dbraw/zinc/69/71/44/515697144.db2.gz RZRGKWAQXVPCLZ-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM CC(C)Nc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cn1 ZINC000478272691 515761795 /nfs/dbraw/zinc/76/17/95/515761795.db2.gz AUEBXQFFKBLGQW-UHFFFAOYSA-N -1 3 366.381 2.874 20 5 FFBDHM O=C(NCc1ncccc1[O-])Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501109864 515984668 /nfs/dbraw/zinc/98/46/68/515984668.db2.gz VPTVTNLQDLLDMQ-UHFFFAOYSA-N -1 3 367.159 2.780 20 5 FFBDHM CCc1ncc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000460959342 516291161 /nfs/dbraw/zinc/29/11/61/516291161.db2.gz MUJRJHIJIIYLLH-UHFFFAOYSA-N -1 3 369.468 2.915 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1Oc2ccccc2[C@@H]1C ZINC000531213725 516351900 /nfs/dbraw/zinc/35/19/00/516351900.db2.gz KVXJGMOTQVQWRI-NVGCLXPQSA-N -1 3 362.407 2.826 20 5 FFBDHM Cc1[nH]nc(C(=O)[N-]c2nc(CN3CCCCCC3)cs2)c1[N+](=O)[O-] ZINC000523365849 516451939 /nfs/dbraw/zinc/45/19/39/516451939.db2.gz WPOCFKXHYRUKOZ-UHFFFAOYSA-N -1 3 364.431 2.711 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1c2ccc(F)cc2O[C@H]1C ZINC000557860430 516476777 /nfs/dbraw/zinc/47/67/77/516476777.db2.gz YZQJJKAVACIBOY-ZUZCIYMTSA-N -1 3 366.370 2.843 20 5 FFBDHM COc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[n-]n1C ZINC000547815109 516579035 /nfs/dbraw/zinc/57/90/35/516579035.db2.gz ROBFZGHIRHMVNE-UHFFFAOYSA-N -1 3 368.349 2.803 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCO[C@@H](C)C2)cc1C ZINC000544104262 516584400 /nfs/dbraw/zinc/58/44/00/516584400.db2.gz IWGMPZYWVRCBDD-KBPBESRZSA-N -1 3 356.444 2.695 20 5 FFBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C)ccc1[O-] ZINC000544346317 516714996 /nfs/dbraw/zinc/71/49/96/516714996.db2.gz QVWUSLYVFJJHGT-UHFFFAOYSA-N -1 3 363.395 2.995 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)ccc1[N+](=O)[O-] ZINC000558483337 516770607 /nfs/dbraw/zinc/77/06/07/516770607.db2.gz LDEPDKAAWPYIST-UHFFFAOYSA-N -1 3 356.350 2.974 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)c1 ZINC000532197989 516855452 /nfs/dbraw/zinc/85/54/52/516855452.db2.gz KZWZIFYDJQFOGX-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM Cc1cc([N-]c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000541329268 516992868 /nfs/dbraw/zinc/99/28/68/516992868.db2.gz COQDBHQUFPKINB-NSHDSACASA-N -1 3 364.427 2.640 20 5 FFBDHM CC(=O)Nc1ccc(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)cc1 ZINC000562395745 517078068 /nfs/dbraw/zinc/07/80/68/517078068.db2.gz MHKHBNZLDOIGJI-UHFFFAOYSA-N -1 3 372.366 2.652 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CC3)CC2)c(Br)c1 ZINC000533007153 517246560 /nfs/dbraw/zinc/24/65/60/517246560.db2.gz FIMDGZJIZULLBD-UHFFFAOYSA-N -1 3 361.217 2.578 20 5 FFBDHM COC(=O)c1scc(C)c1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000526093036 517341485 /nfs/dbraw/zinc/34/14/85/517341485.db2.gz FMMBKSMHTGDOLQ-UHFFFAOYSA-N -1 3 364.335 2.732 20 5 FFBDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000537901182 517397681 /nfs/dbraw/zinc/39/76/81/517397681.db2.gz IJRMLLYOGDAFBZ-UHFFFAOYSA-N -1 3 351.290 2.713 20 5 FFBDHM O=C([N-]c1nc2c(cccc2Br)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000520642416 517465655 /nfs/dbraw/zinc/46/56/55/517465655.db2.gz UBGIYBYCHLOHJW-UHFFFAOYSA-N -1 3 368.172 2.942 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)nn2-c2ccccc2)c1 ZINC000549231475 517469636 /nfs/dbraw/zinc/46/96/36/517469636.db2.gz NXSUYHCJZAXGAN-UHFFFAOYSA-N -1 3 367.365 2.557 20 5 FFBDHM CNc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1[N+](=O)[O-] ZINC000521018538 517580684 /nfs/dbraw/zinc/58/06/84/517580684.db2.gz MOJZYKBITZBYLH-UHFFFAOYSA-N -1 3 356.317 2.813 20 5 FFBDHM Cc1c(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cccc1[N+](=O)[O-] ZINC000546311995 517636240 /nfs/dbraw/zinc/63/62/40/517636240.db2.gz AMGFQPIPLFMPHM-UHFFFAOYSA-N -1 3 374.378 2.992 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000538537523 517661227 /nfs/dbraw/zinc/66/12/27/517661227.db2.gz PROVMFZQJJQJFL-UONOGXRCSA-N -1 3 356.444 2.775 20 5 FFBDHM CC(C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000534242051 517802818 /nfs/dbraw/zinc/80/28/18/517802818.db2.gz YVDGVMINNWGCKR-MRVPVSSYSA-N -1 3 373.822 2.529 20 5 FFBDHM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000534242051 517802822 /nfs/dbraw/zinc/80/28/22/517802822.db2.gz YVDGVMINNWGCKR-MRVPVSSYSA-N -1 3 373.822 2.529 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2ccc(C(C)=O)cc2F)cc([N+](=O)[O-])c1 ZINC000539622496 518123531 /nfs/dbraw/zinc/12/35/31/518123531.db2.gz TXNSOIXMTWDRRT-UHFFFAOYSA-N -1 3 360.297 2.975 20 5 FFBDHM C[C@H]1C[C@@H]1N1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)C1 ZINC000576350180 518549915 /nfs/dbraw/zinc/54/99/15/518549915.db2.gz WDCLXIPLNFKIDP-MJVIPROJSA-N -1 3 367.833 2.756 20 5 FFBDHM Cc1c(C(=O)[O-])cnn1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000576830578 518784425 /nfs/dbraw/zinc/78/44/25/518784425.db2.gz HRTDCBXLZBHTHY-UHFFFAOYSA-N -1 3 358.398 2.678 20 5 FFBDHM CCOC(=O)c1cc([N-]C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])c(F)cc1C ZINC000574180323 519027521 /nfs/dbraw/zinc/02/75/21/519027521.db2.gz CZDDTRPFHJFIES-UHFFFAOYSA-N -1 3 364.333 2.757 20 5 FFBDHM COc1cc(F)cc2sc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc21 ZINC000568470475 519053059 /nfs/dbraw/zinc/05/30/59/519053059.db2.gz GPGSWLPCQQXWFU-UHFFFAOYSA-N -1 3 364.314 2.705 20 5 FFBDHM O=C([O-])[C@H](CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000577521673 519122893 /nfs/dbraw/zinc/12/28/93/519122893.db2.gz MFJGMXYAAYUMQW-LJQANCHMSA-N -1 3 369.421 2.975 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cccc([O-])c2Cl)cc1 ZINC000590188529 519170214 /nfs/dbraw/zinc/17/02/14/519170214.db2.gz PYCAQMRYIXRFQA-UHFFFAOYSA-N -1 3 370.814 2.517 20 5 FFBDHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000577857309 519294125 /nfs/dbraw/zinc/29/41/25/519294125.db2.gz YXECCOULHTWVPE-SFHVURJKSA-N -1 3 355.394 2.851 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000594473612 519984405 /nfs/dbraw/zinc/98/44/05/519984405.db2.gz NLLRZUNZDJYFQM-GXTWGEPZSA-N -1 3 360.457 2.591 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@H]12 ZINC000594484114 519992409 /nfs/dbraw/zinc/99/24/09/519992409.db2.gz SIRPLRRLOFLHRE-CHWSQXEVSA-N -1 3 373.862 2.543 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCCO1 ZINC000594487224 519996518 /nfs/dbraw/zinc/99/65/18/519996518.db2.gz LTVWORZWJJAFRT-QWHCGFSZSA-N -1 3 362.835 2.874 20 5 FFBDHM Cc1ccccc1CN1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000612526226 520004190 /nfs/dbraw/zinc/00/41/90/520004190.db2.gz DGRYJBYLADFNNA-UHFFFAOYSA-N -1 3 369.421 2.957 20 5 FFBDHM COc1cc(CNc2cncc(OCC(F)(F)F)n2)c([N+](=O)[O-])cc1[O-] ZINC000594744361 520128028 /nfs/dbraw/zinc/12/80/28/520128028.db2.gz YXCICTKFRQITRC-UHFFFAOYSA-N -1 3 374.275 2.652 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000594777777 520153102 /nfs/dbraw/zinc/15/31/02/520153102.db2.gz BROISMDAUQQLCQ-NSHDSACASA-N -1 3 367.452 2.565 20 5 FFBDHM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592111201 520190844 /nfs/dbraw/zinc/19/08/44/520190844.db2.gz JAFJBDFFGRULBY-APPZFPTMSA-N -1 3 370.374 2.786 20 5 FFBDHM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000592111203 520190878 /nfs/dbraw/zinc/19/08/78/520190878.db2.gz JAFJBDFFGRULBY-IONNQARKSA-N -1 3 370.374 2.786 20 5 FFBDHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000604042173 520434917 /nfs/dbraw/zinc/43/49/17/520434917.db2.gz MCYBYLOFYWLONE-LLVKDONJSA-N -1 3 366.395 2.652 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)O)c1C ZINC000595409536 520451141 /nfs/dbraw/zinc/45/11/41/520451141.db2.gz UERYZPWGYHPYBP-BBRMVZONSA-N -1 3 364.423 2.612 20 5 FFBDHM C[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N1CCCCCC1 ZINC000609842889 520454040 /nfs/dbraw/zinc/45/40/40/520454040.db2.gz CIVWTUKLXKMBQQ-ZDUSSCGKSA-N -1 3 357.414 2.610 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H](N2CCCC2)C1 ZINC000592762236 520564055 /nfs/dbraw/zinc/56/40/55/520564055.db2.gz HNUJIQJPNBZMRH-LBPRGKRZSA-N -1 3 353.806 2.654 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)cc1 ZINC000610711822 520808161 /nfs/dbraw/zinc/80/81/61/520808161.db2.gz NSTQJPDUUNAOOL-AWEZNQCLSA-N -1 3 368.798 2.801 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1C ZINC000610800336 520849164 /nfs/dbraw/zinc/84/91/64/520849164.db2.gz PFGUEWJQGPTVQZ-MAZHCROVSA-N -1 3 368.455 2.694 20 5 FFBDHM COc1cc(OC)cc(N2CC[C@@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596157361 520944179 /nfs/dbraw/zinc/94/41/79/520944179.db2.gz UDWHQZYUPWTKIP-LBPRGKRZSA-N -1 3 374.397 2.651 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c1 ZINC000611033971 520956064 /nfs/dbraw/zinc/95/60/64/520956064.db2.gz VHCJLZCQHHRXTB-CQSZACIVSA-N -1 3 368.798 2.801 20 5 FFBDHM O=c1[n-]ccc(N2CCc3c(ncn3CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596183855 520956530 /nfs/dbraw/zinc/95/65/30/520956530.db2.gz DNOFUYPLYMSRLR-UHFFFAOYSA-N -1 3 365.393 2.697 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000619479205 521589913 /nfs/dbraw/zinc/58/99/13/521589913.db2.gz DNJFYQZMWVRTMO-STQMWFEESA-N -1 3 366.370 2.577 20 5 FFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H]1CCc2ccccc2C1 ZINC000736842058 598914183 /nfs/dbraw/zinc/91/41/83/598914183.db2.gz MUPTXQGCPHWFKI-AWEZNQCLSA-N -1 3 350.382 2.769 20 5 FFBDHM CN(c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H]1CCc2ccccc2C1 ZINC000736842058 598914185 /nfs/dbraw/zinc/91/41/85/598914185.db2.gz MUPTXQGCPHWFKI-AWEZNQCLSA-N -1 3 350.382 2.769 20 5 FFBDHM O=[N+]([O-])c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000823640183 599049188 /nfs/dbraw/zinc/04/91/88/599049188.db2.gz WTYSDEZNJYUGNG-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM CN(C[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736791284 598246303 /nfs/dbraw/zinc/24/63/03/598246303.db2.gz KUOIXJRYAYEQEW-QGZVFWFLSA-N -1 3 366.381 2.525 20 5 FFBDHM CN(C[C@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736791284 598246304 /nfs/dbraw/zinc/24/63/04/598246304.db2.gz KUOIXJRYAYEQEW-QGZVFWFLSA-N -1 3 366.381 2.525 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3cccc(F)c3)C2)c(-c2nnn[n-]2)c1 ZINC000738370198 598246826 /nfs/dbraw/zinc/24/68/26/598246826.db2.gz NXGFXVZBWRKURW-LBPRGKRZSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@H](c3cccc(F)c3)C2)c(-c2nn[n-]n2)c1 ZINC000738370198 598246828 /nfs/dbraw/zinc/24/68/28/598246828.db2.gz NXGFXVZBWRKURW-LBPRGKRZSA-N -1 3 354.345 2.908 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737283660 598289658 /nfs/dbraw/zinc/28/96/58/598289658.db2.gz VASPTVSWEHDNHI-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737283660 598289660 /nfs/dbraw/zinc/28/96/60/598289660.db2.gz VASPTVSWEHDNHI-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000738366972 598592682 /nfs/dbraw/zinc/59/26/82/598592682.db2.gz LUPYPKIIBKTBQG-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000738366972 598592683 /nfs/dbraw/zinc/59/26/83/598592683.db2.gz LUPYPKIIBKTBQG-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM CC(C)(C)C[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907894 599561397 /nfs/dbraw/zinc/56/13/97/599561397.db2.gz SDJQQGULKCWSQB-NSHDSACASA-N -1 3 371.401 2.532 20 5 FFBDHM CC(C)(C)C[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000819907894 599561400 /nfs/dbraw/zinc/56/14/00/599561400.db2.gz SDJQQGULKCWSQB-NSHDSACASA-N -1 3 371.401 2.532 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000820173992 607398881 /nfs/dbraw/zinc/39/88/81/607398881.db2.gz OJAJUOCWVCSRHY-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM CC(C)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000820173992 607398880 /nfs/dbraw/zinc/39/88/80/607398880.db2.gz OJAJUOCWVCSRHY-UHFFFAOYSA-N -1 3 368.353 2.814 20 5 FFBDHM CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c([N+](=O)[O-])c1 ZINC000825717110 607400645 /nfs/dbraw/zinc/40/06/45/607400645.db2.gz GDKCWUNFTQFORG-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])c1 ZINC000825717110 607400647 /nfs/dbraw/zinc/40/06/47/607400647.db2.gz GDKCWUNFTQFORG-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC000826451133 607525350 /nfs/dbraw/zinc/52/53/50/607525350.db2.gz RFDAYFNDSBDNNK-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccsc1 ZINC000826451133 607525353 /nfs/dbraw/zinc/52/53/53/607525353.db2.gz RFDAYFNDSBDNNK-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM O=[N+]([O-])c1cc(N[C@H](CCCO)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000826498374 607635971 /nfs/dbraw/zinc/63/59/71/607635971.db2.gz SAKZZUHFXUMMHI-OAHLLOKOSA-N -1 3 354.370 2.701 20 5 FFBDHM COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821719421 606136573 /nfs/dbraw/zinc/13/65/73/606136573.db2.gz DTJGCWIXZUQOEI-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM COc1cc(F)c([N+](=O)[O-])c(N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821719421 606136575 /nfs/dbraw/zinc/13/65/75/606136575.db2.gz DTJGCWIXZUQOEI-UHFFFAOYSA-N -1 3 358.333 2.559 20 5 FFBDHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821703037 606346578 /nfs/dbraw/zinc/34/65/78/606346578.db2.gz LRWWNNXQSVZXLM-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821703037 606346580 /nfs/dbraw/zinc/34/65/80/606346580.db2.gz LRWWNNXQSVZXLM-JTQLQIEISA-N -1 3 369.337 2.702 20 5 FFBDHM C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508503 606354426 /nfs/dbraw/zinc/35/44/26/606354426.db2.gz QJJXGHWRPLKOCL-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508503 606354428 /nfs/dbraw/zinc/35/44/28/606354428.db2.gz QJJXGHWRPLKOCL-VIFPVBQESA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820511677 606359160 /nfs/dbraw/zinc/35/91/60/606359160.db2.gz AUDDAUAITSNUCU-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000820511677 606359161 /nfs/dbraw/zinc/35/91/61/606359161.db2.gz AUDDAUAITSNUCU-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM CC(C)(NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819987629 606437932 /nfs/dbraw/zinc/43/79/32/606437932.db2.gz CRDMNIGSQSUWKR-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM CC(C)(NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000819987629 606437934 /nfs/dbraw/zinc/43/79/34/606437934.db2.gz CRDMNIGSQSUWKR-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM Cc1cccc(OCCN(C)c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC000822328421 606645872 /nfs/dbraw/zinc/64/58/72/606645872.db2.gz POQJEVYKQRWQGL-UHFFFAOYSA-N -1 3 354.370 2.599 20 5 FFBDHM CC(C)(C)c1nnc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000819971002 606945832 /nfs/dbraw/zinc/94/58/32/606945832.db2.gz AAHFYVDNLFNRHL-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CC(C)(C)c1nnc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])s1 ZINC000819971002 606945834 /nfs/dbraw/zinc/94/58/34/606945834.db2.gz AAHFYVDNLFNRHL-UHFFFAOYSA-N -1 3 360.403 2.536 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574495 606963654 /nfs/dbraw/zinc/96/36/54/606963654.db2.gz JDFCSTYTCTXCCO-UHFFFAOYSA-N -1 3 364.774 2.766 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])s1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574495 606963655 /nfs/dbraw/zinc/96/36/55/606963655.db2.gz JDFCSTYTCTXCCO-UHFFFAOYSA-N -1 3 364.774 2.766 20 5 FFBDHM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nc2cc(Cl)ccc2[nH]1 ZINC000823630274 607164471 /nfs/dbraw/zinc/16/44/71/607164471.db2.gz VDJWMTMFUSTJOZ-UHFFFAOYSA-N -1 3 374.773 2.851 20 5 FFBDHM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nc2cc(Cl)ccc2[nH]1 ZINC000823630274 607164472 /nfs/dbraw/zinc/16/44/72/607164472.db2.gz VDJWMTMFUSTJOZ-UHFFFAOYSA-N -1 3 374.773 2.851 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1-c1nnn[n-]1 ZINC000825829517 607788496 /nfs/dbraw/zinc/78/84/96/607788496.db2.gz GEGZDMFBWBUSHO-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1-c1nn[n-]n1 ZINC000825829517 607788497 /nfs/dbraw/zinc/78/84/97/607788497.db2.gz GEGZDMFBWBUSHO-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826499450 607872996 /nfs/dbraw/zinc/87/29/96/607872996.db2.gz JCVHKWRQTZHTSM-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc([C@@H](O)COc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826499450 607872997 /nfs/dbraw/zinc/87/29/97/607872997.db2.gz JCVHKWRQTZHTSM-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826499413 607873544 /nfs/dbraw/zinc/87/35/44/607873544.db2.gz HVTCUKYNXGGMNX-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826499413 607873545 /nfs/dbraw/zinc/87/35/45/607873545.db2.gz HVTCUKYNXGGMNX-CYBMUJFWSA-N -1 3 361.745 2.541 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470590 607962226 /nfs/dbraw/zinc/96/22/26/607962226.db2.gz WAPLGUGZKAKSAI-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470590 607962227 /nfs/dbraw/zinc/96/22/27/607962227.db2.gz WAPLGUGZKAKSAI-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(c3ccc(F)cc3F)CC2)c(-c2nnn[n-]2)c1 ZINC000826500755 608053874 /nfs/dbraw/zinc/05/38/74/608053874.db2.gz KZGGSQFCIUUYOJ-UHFFFAOYSA-N -1 3 373.323 2.592 20 5 FFBDHM O=[N+]([O-])c1cnc(NCC2(c3ccc(F)cc3F)CC2)c(-c2nn[n-]n2)c1 ZINC000826500755 608053875 /nfs/dbraw/zinc/05/38/75/608053875.db2.gz KZGGSQFCIUUYOJ-UHFFFAOYSA-N -1 3 373.323 2.592 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826211728 608182355 /nfs/dbraw/zinc/18/23/55/608182355.db2.gz RPMJXFKCWHJQJK-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826211728 608182356 /nfs/dbraw/zinc/18/23/56/608182356.db2.gz RPMJXFKCWHJQJK-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM CCCCn1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)n1 ZINC000825300909 608294221 /nfs/dbraw/zinc/29/42/21/608294221.db2.gz FMXONBZAKACIOA-UHFFFAOYSA-N -1 3 356.390 2.692 20 5 FFBDHM CCCCn1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(C)n1 ZINC000825300909 608294223 /nfs/dbraw/zinc/29/42/23/608294223.db2.gz FMXONBZAKACIOA-UHFFFAOYSA-N -1 3 356.390 2.692 20 5 FFBDHM Cc1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826269744 609244140 /nfs/dbraw/zinc/24/41/40/609244140.db2.gz VQTOLYUSGCGFTR-UHFFFAOYSA-N -1 3 352.354 2.655 20 5 FFBDHM Cc1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826269744 609244142 /nfs/dbraw/zinc/24/41/42/609244142.db2.gz VQTOLYUSGCGFTR-UHFFFAOYSA-N -1 3 352.354 2.655 20 5 FFBDHM COCC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(C)o1 ZINC000826155583 609322784 /nfs/dbraw/zinc/32/27/84/609322784.db2.gz VBSFFHITFQKGJY-AWEZNQCLSA-N -1 3 358.358 2.866 20 5 FFBDHM COCC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(C)o1 ZINC000826155583 609322785 /nfs/dbraw/zinc/32/27/85/609322785.db2.gz VBSFFHITFQKGJY-AWEZNQCLSA-N -1 3 358.358 2.866 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1nccs1 ZINC000154309189 728801516 /nfs/dbraw/zinc/80/15/16/728801516.db2.gz MPMGVQQUZZMFMA-SNVBAGLBSA-N -1 3 359.404 2.928 20 5 FFBDHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000159418875 728907086 /nfs/dbraw/zinc/90/70/86/728907086.db2.gz ASAGDTNLUSVCIV-AWEZNQCLSA-N -1 3 370.814 2.569 20 5 FFBDHM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)s1 ZINC000124325347 728669195 /nfs/dbraw/zinc/66/91/95/728669195.db2.gz PXVQCTCMIQUVQR-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000780913830 738588064 /nfs/dbraw/zinc/58/80/64/738588064.db2.gz PNCSOURRPHHKGY-IUCAKERBSA-N -1 3 363.233 2.824 20 5 FFBDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CCCC2)c1 ZINC000742275087 735217607 /nfs/dbraw/zinc/21/76/07/735217607.db2.gz ZUNUOFHJYYWPCL-UHFFFAOYSA-N -1 3 363.233 2.826 20 5 FFBDHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742301170 735222539 /nfs/dbraw/zinc/22/25/39/735222539.db2.gz AOZVVDBVLYXCMC-VIFPVBQESA-N -1 3 365.249 2.928 20 5 FFBDHM O=C([N-]c1ccsc1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000751279146 735860927 /nfs/dbraw/zinc/86/09/27/735860927.db2.gz RGAYMPQKMVXCLP-UHFFFAOYSA-N -1 3 351.296 2.588 20 5 FFBDHM O=C([N-]Cc1cc([N+](=O)[O-])c(F)cc1F)C(F)(F)C1CCOCC1 ZINC000911474578 737202902 /nfs/dbraw/zinc/20/29/02/737202902.db2.gz LLRSVCDQOHADLZ-UHFFFAOYSA-N -1 3 350.268 2.551 20 5 FFBDHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cs1 ZINC000921646322 738017264 /nfs/dbraw/zinc/01/72/64/738017264.db2.gz FIQHAGGGXDKVKF-DGCLKSJQSA-N -1 3 374.390 2.984 20 5 FFBDHM COCCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000800928154 740567006 /nfs/dbraw/zinc/56/70/06/740567006.db2.gz JWSHZRJMQVQHFY-UHFFFAOYSA-N -1 3 354.359 2.724 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000813714144 741753739 /nfs/dbraw/zinc/75/37/39/741753739.db2.gz ZUTKGCXASKFEFM-UHFFFAOYSA-N -1 3 354.762 2.880 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@]2(C)CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000832146967 745645361 /nfs/dbraw/zinc/64/53/61/745645361.db2.gz BUCHASIENVQMAU-VIFPVBQESA-N -1 3 359.256 2.827 20 5 FFBDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)c1c(F)ccc([N+](=O)[O-])c1F ZINC000837565106 746475702 /nfs/dbraw/zinc/47/57/02/746475702.db2.gz CJBIGJZFRMXSCS-UHFFFAOYSA-N -1 3 351.265 2.603 20 5 FFBDHM CCc1nc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)cs1 ZINC000848582958 748965568 /nfs/dbraw/zinc/96/55/68/748965568.db2.gz LWWXMWPIWUWVHB-UHFFFAOYSA-N -1 3 357.338 2.902 20 5 FFBDHM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853674563 750132730 /nfs/dbraw/zinc/13/27/30/750132730.db2.gz CSAPWDOZNBNMKL-QWRGUYRKSA-N -1 3 352.391 2.801 20 5 FFBDHM CCc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000821476715 945705300 /nfs/dbraw/zinc/70/53/00/945705300.db2.gz RFGOHGOYJILAEZ-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CCc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000821476715 945705304 /nfs/dbraw/zinc/70/53/04/945705304.db2.gz RFGOHGOYJILAEZ-UHFFFAOYSA-N -1 3 356.317 2.729 20 5 FFBDHM CC(C)(C)c1ccc(C(=O)[N-]n2cnc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000125559629 1014064673 /nfs/dbraw/zinc/06/46/73/1014064673.db2.gz NLXVPYNCDNKXNO-UHFFFAOYSA-N -1 3 366.377 2.986 20 5 FFBDHM COc1c([O-])ccc(CN2CCn3nc(C(F)(F)F)cc3C2)c1[N+](=O)[O-] ZINC000896942015 973065846 /nfs/dbraw/zinc/06/58/46/973065846.db2.gz QNDYTEWYPYAPAN-UHFFFAOYSA-N -1 3 372.303 2.540 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc(Cl)ncc2F)cc([N+](=O)[O-])c1 ZINC001126372487 977917621 /nfs/dbraw/zinc/91/76/21/977917621.db2.gz FVWPCFUGSMQVKQ-UHFFFAOYSA-N -1 3 353.693 2.821 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])s1 ZINC001211902855 979357569 /nfs/dbraw/zinc/35/75/69/979357569.db2.gz GZITUYCSRHBCAQ-NEPJUHHUSA-N -1 3 362.473 2.694 20 5 FFBDHM COc1ccc2c(c1)CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001599628930 994188698 /nfs/dbraw/zinc/18/86/98/994188698.db2.gz BOJOURQFOMTHAO-UHFFFAOYSA-N -1 3 356.378 2.902 20 5 FFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])c(OC)c3)n[n-]c21 ZINC000808673768 994216464 /nfs/dbraw/zinc/21/64/64/994216464.db2.gz IXTZIQGFUFSDFO-UHFFFAOYSA-N -1 3 357.322 2.845 20 5 FFBDHM COc1cccc2c(C(=O)OCc3ccc([N+](=O)[O-])c(OC)c3)[n-]nc21 ZINC000808673768 994216475 /nfs/dbraw/zinc/21/64/75/994216475.db2.gz IXTZIQGFUFSDFO-UHFFFAOYSA-N -1 3 357.322 2.845 20 5 FFBDHM CCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000768412233 1000234791 /nfs/dbraw/zinc/23/47/91/1000234791.db2.gz OEAONADOFDRDDL-UHFFFAOYSA-N -1 3 372.410 2.970 20 5 FFBDHM COC(=O)c1nc(Cl)c(Cl)nc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802752 1005031631 /nfs/dbraw/zinc/03/16/31/1005031631.db2.gz XSEVNUYTELLPLY-UHFFFAOYSA-N -1 3 359.125 2.927 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001189177756 1006934703 /nfs/dbraw/zinc/93/47/03/1006934703.db2.gz HQEMAZWLBJGVTA-MRXNPFEDSA-N -1 3 374.434 2.652 20 5 FFBDHM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001179177166 1009280296 /nfs/dbraw/zinc/28/02/96/1009280296.db2.gz RHFKVNNINUDEIW-YFKPBYRVSA-N -1 3 363.683 2.876 20 5 FFBDHM CC(C)(C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000837535834 1025880866 /nfs/dbraw/zinc/88/08/66/1025880866.db2.gz LXBZWFLBQNMBGP-UHFFFAOYSA-N -1 3 357.366 2.989 20 5 FFBDHM Cc1c(Br)ccc([O-])c1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001141437001 1026304215 /nfs/dbraw/zinc/30/42/15/1026304215.db2.gz LEKKEKIWPUZOAF-UHFFFAOYSA-N -1 3 367.159 2.601 20 5 FFBDHM COc1c(F)cc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1F ZINC001212935615 1027433201 /nfs/dbraw/zinc/43/32/01/1027433201.db2.gz CSJNOTLYABLXAH-UHFFFAOYSA-N -1 3 350.237 2.699 20 5 FFBDHM Cc1cc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163642917 1029004212 /nfs/dbraw/zinc/00/42/12/1029004212.db2.gz LVGLIPKYHKPJKE-CYBMUJFWSA-N -1 3 366.381 2.783 20 5 FFBDHM CNc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1[N+](=O)[O-] ZINC000781914340 1029470020 /nfs/dbraw/zinc/47/00/20/1029470020.db2.gz FOHMYNZYJXNFGD-UHFFFAOYSA-N -1 3 370.321 2.749 20 5 FFBDHM Cc1ccc(Sc2ccc(C(=O)[N-]N3CN=NC3=O)cc2[N+](=O)[O-])cc1 ZINC000782126415 1029581356 /nfs/dbraw/zinc/58/13/56/1029581356.db2.gz XFLPSJWVMBRFDO-UHFFFAOYSA-N -1 3 371.378 2.735 20 5 FFBDHM Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c(N)c([N+](=O)[O-])c1 ZINC000783438432 1030099195 /nfs/dbraw/zinc/09/91/95/1030099195.db2.gz DBCRNUDOOCDPCM-UHFFFAOYSA-N -1 3 370.321 2.598 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)ccc1[N+](=O)[O-] ZINC001535545437 1069827550 /nfs/dbraw/zinc/82/75/50/1069827550.db2.gz SGOFPHPTLMDYGE-JTQLQIEISA-N -1 3 350.356 2.559 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1COc2c1cccc2Br ZINC001225664471 1034357741 /nfs/dbraw/zinc/35/77/41/1034357741.db2.gz OUVDLDMWOTYYRJ-JTQLQIEISA-N -1 3 353.128 2.970 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@H]1Cc2cccc(Br)c2O1 ZINC001225667006 1034359659 /nfs/dbraw/zinc/35/96/59/1034359659.db2.gz NHOBARZQUBPMRG-SECBINFHSA-N -1 3 367.155 2.840 20 5 FFBDHM CC(=O)c1ccc([O-])c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1O ZINC001226481091 1034705505 /nfs/dbraw/zinc/70/55/05/1034705505.db2.gz CPFWZCQTDAJFFH-LBPRGKRZSA-N -1 3 358.350 2.866 20 5 FFBDHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690216 1035675227 /nfs/dbraw/zinc/67/52/27/1035675227.db2.gz HEMZUGFTEQMPBA-VXGBXAGGSA-N -1 3 352.391 2.855 20 5 FFBDHM C[C@H](c1ccccn1)N1CC[C@@H](Oc2nc(C3CC3)[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001228609222 1036204456 /nfs/dbraw/zinc/20/44/56/1036204456.db2.gz BCSTVEBQGBGEMV-DGCLKSJQSA-N -1 3 371.397 2.577 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2F)c1[N+](=O)[O-] ZINC001228688124 1036257039 /nfs/dbraw/zinc/25/70/39/1036257039.db2.gz FCEWGHLEKYHVBK-PWSUYJOCSA-N -1 3 371.365 2.730 20 5 FFBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001209927452 1039292250 /nfs/dbraw/zinc/29/22/50/1039292250.db2.gz JAOZZMAYFRGRHU-VIFPVBQESA-N -1 3 357.363 2.687 20 5 FFBDHM COc1cc(OC)cc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001248001087 1040095908 /nfs/dbraw/zinc/09/59/08/1040095908.db2.gz YKICCLKDUKXXDL-UHFFFAOYSA-N -1 3 370.321 2.914 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2c2ccccc2)nc1 ZINC001309529801 1043424460 /nfs/dbraw/zinc/42/44/60/1043424460.db2.gz WVXQYCWAKXWIDS-GOEBONIOSA-N -1 3 361.423 2.852 20 5 FFBDHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC001309612759 1043454254 /nfs/dbraw/zinc/45/42/54/1043454254.db2.gz VDACMWWQIHIQAB-VIFPVBQESA-N -1 3 371.440 2.662 20 5 FFBDHM CC(C)c1ccc(CN[C@@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1[N+](=O)[O-] ZINC001320748811 1045460698 /nfs/dbraw/zinc/46/06/98/1045460698.db2.gz LCKSUUWENSFSOJ-AWEZNQCLSA-N -1 3 366.805 2.811 20 5 FFBDHM Cc1ccc([O-])c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2N)n1 ZINC001321450102 1045669211 /nfs/dbraw/zinc/66/92/11/1045669211.db2.gz VWPQGGACGYCMCO-UHFFFAOYSA-N -1 3 367.159 2.601 20 5 FFBDHM O=C([N-]c1noc2c1CCCC2)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001540181608 1070780140 /nfs/dbraw/zinc/78/01/40/1070780140.db2.gz CFTRQNOWBQZNSW-UHFFFAOYSA-N -1 3 359.338 2.875 20 5 FFBDHM CN(CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1 ZINC001292059730 1049091983 /nfs/dbraw/zinc/09/19/83/1049091983.db2.gz XYQCIBINOXYIOI-UHFFFAOYSA-N -1 3 363.801 2.816 20 5 FFBDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001297648694 1050254790 /nfs/dbraw/zinc/25/47/90/1050254790.db2.gz ZUBSUAALONFIHO-UHFFFAOYSA-N -1 3 369.377 2.740 20 5 FFBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001301754448 1050972983 /nfs/dbraw/zinc/97/29/83/1050972983.db2.gz LFGPZXZGURYWES-UHFFFAOYSA-N -1 3 374.422 2.766 20 5 FFBDHM COc1nscc1[N-]C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC001303231572 1051309705 /nfs/dbraw/zinc/30/97/05/1051309705.db2.gz WOPITBIOVBRLFH-UHFFFAOYSA-N -1 3 352.328 2.837 20 5 FFBDHM CC(C)Oc1nc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC001307201300 1052266455 /nfs/dbraw/zinc/26/64/55/1052266455.db2.gz VGVKIHLJCRHCIJ-UHFFFAOYSA-N -1 3 357.370 2.670 20 5 FFBDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC001307225766 1052272328 /nfs/dbraw/zinc/27/23/28/1052272328.db2.gz LOOJCIBIIUSMOW-JLLWLGSASA-N -1 3 350.375 2.648 20 5 FFBDHM COCCN(CCC(=O)[O-])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901663617 1052275097 /nfs/dbraw/zinc/27/50/97/1052275097.db2.gz MSBHEOTWSVRGOZ-UHFFFAOYSA-N -1 3 365.430 2.508 20 5 FFBDHM COC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001308599509 1052475001 /nfs/dbraw/zinc/47/50/01/1052475001.db2.gz UAHKNAGKBMICDW-KRWDZBQOSA-N -1 3 372.377 2.581 20 5 FFBDHM COc1cc2c(cc1NCc1ccc([O-])c(OC)c1[N+](=O)[O-])NC(=O)CC2 ZINC001308667577 1052483566 /nfs/dbraw/zinc/48/35/66/1052483566.db2.gz FMZWVXUGTHZCAA-UHFFFAOYSA-N -1 3 373.365 2.814 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001309203032 1052573780 /nfs/dbraw/zinc/57/37/80/1052573780.db2.gz ZAMSKKYHUUMMGB-HIFRSBDPSA-N -1 3 364.398 2.952 20 5 FFBDHM O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001543911157 1071566165 /nfs/dbraw/zinc/56/61/65/1071566165.db2.gz NWCNGQYSFPZBKM-MRXNPFEDSA-N -1 3 355.394 2.695 20 5 FFBDHM C[C@@H](COCC1CCCCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001475702933 1061218324 /nfs/dbraw/zinc/21/83/24/1061218324.db2.gz GGNHDPVHDFUWPI-LBPRGKRZSA-N -1 3 374.434 2.998 20 5 FFBDHM Cc1cc(=O)[n-]c(N2CCC(Nc3c(F)cc([N+](=O)[O-])cc3F)CC2)n1 ZINC001472888555 1065167758 /nfs/dbraw/zinc/16/77/58/1065167758.db2.gz FLMMHBYWMIAYER-UHFFFAOYSA-N -1 3 365.340 2.758 20 5 FFBDHM CCC(=O)Nc1cccc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC001473936989 1065424100 /nfs/dbraw/zinc/42/41/00/1065424100.db2.gz OJMLNCLSUVTUTN-UHFFFAOYSA-N -1 3 359.382 2.947 20 5 FFBDHM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001474841710 1065623867 /nfs/dbraw/zinc/62/38/67/1065623867.db2.gz GGFSINRYRYXLDK-SNVBAGLBSA-N -1 3 355.803 2.553 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC001474993141 1065665921 /nfs/dbraw/zinc/66/59/21/1065665921.db2.gz KDOHQLHFHYXTMG-ZANVPECISA-N -1 3 374.415 2.504 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580904556 1078889483 /nfs/dbraw/zinc/88/94/83/1078889483.db2.gz QCRMIJNYPATGDI-UHFFFAOYSA-N -1 3 366.381 2.664 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001580904556 1078889493 /nfs/dbraw/zinc/88/94/93/1078889493.db2.gz QCRMIJNYPATGDI-UHFFFAOYSA-N -1 3 366.381 2.664 20 5 FFBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(-c2nnn[n-]2)c1 ZINC001580984987 1078904373 /nfs/dbraw/zinc/90/43/73/1078904373.db2.gz HYPPHDYTYFYXQP-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(-c2nn[n-]n2)c1 ZINC001580984987 1078904376 /nfs/dbraw/zinc/90/43/76/1078904376.db2.gz HYPPHDYTYFYXQP-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cccc(O[C@H](C)CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001581244517 1078945137 /nfs/dbraw/zinc/94/51/37/1078945137.db2.gz PFWGEGLZHRNNIV-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1cccc(O[C@H](C)CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001581244517 1078945146 /nfs/dbraw/zinc/94/51/46/1078945146.db2.gz PFWGEGLZHRNNIV-GFCCVEGCSA-N -1 3 354.370 2.963 20 5 FFBDHM Cc1csc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC001581387669 1078957739 /nfs/dbraw/zinc/95/77/39/1078957739.db2.gz YURRQSQBJIBZBU-NWDGAFQWSA-N -1 3 370.394 2.887 20 5 FFBDHM Cc1csc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC001581387669 1078957745 /nfs/dbraw/zinc/95/77/45/1078957745.db2.gz YURRQSQBJIBZBU-NWDGAFQWSA-N -1 3 370.394 2.887 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCCC[C@H]2CC2(Cl)Cl)c1-c1nnn[n-]1 ZINC001581909700 1079015193 /nfs/dbraw/zinc/01/51/93/1079015193.db2.gz QKVBSETUKUMHNA-ZETCQYMHSA-N -1 3 372.216 2.743 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCCC[C@H]2CC2(Cl)Cl)c1-c1nn[n-]n1 ZINC001581909700 1079015201 /nfs/dbraw/zinc/01/52/01/1079015201.db2.gz QKVBSETUKUMHNA-ZETCQYMHSA-N -1 3 372.216 2.743 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(F)=C1CCC1 ZINC001582632646 1079078191 /nfs/dbraw/zinc/07/81/91/1079078191.db2.gz SHFIMHZDFSHDKR-UHFFFAOYSA-N -1 3 352.713 2.774 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C(F)=C1CCC1 ZINC001582632646 1079078193 /nfs/dbraw/zinc/07/81/93/1079078193.db2.gz SHFIMHZDFSHDKR-UHFFFAOYSA-N -1 3 352.713 2.774 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3ccc(F)cc3-c3nnn[n-]3)cn2)cc1 ZINC001582803581 1079110051 /nfs/dbraw/zinc/11/00/51/1079110051.db2.gz MVLBFDYHKJDRQW-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2cn(Cc3ccc(F)cc3-c3nn[n-]n3)cn2)cc1 ZINC001582803581 1079110053 /nfs/dbraw/zinc/11/00/53/1079110053.db2.gz MVLBFDYHKJDRQW-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC001561258943 1076353153 /nfs/dbraw/zinc/35/31/53/1076353153.db2.gz LBTLDOBKFJRAAO-NXEZZACHSA-N -1 3 350.487 2.917 20 5 FFBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC001561258945 1076353214 /nfs/dbraw/zinc/35/32/14/1076353214.db2.gz LBTLDOBKFJRAAO-VHSXEESVSA-N -1 3 350.487 2.917 20 5 FFBDHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001586482681 1079636851 /nfs/dbraw/zinc/63/68/51/1079636851.db2.gz BPDAVPGODCBYIX-KSSFIOAISA-N -1 3 369.421 2.941 20 5 FFBDHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001586484154 1079637091 /nfs/dbraw/zinc/63/70/91/1079637091.db2.gz LZHWZUGJTZKRMU-KDOFPFPSSA-N -1 3 369.421 2.941 20 5 FFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nnn[n-]2)cc1C ZINC001588902754 1080251494 /nfs/dbraw/zinc/25/14/94/1080251494.db2.gz YAGBGRORVMPURG-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(-c2nn[n-]n2)cc1C ZINC001588902754 1080251499 /nfs/dbraw/zinc/25/14/99/1080251499.db2.gz YAGBGRORVMPURG-UHFFFAOYSA-N -1 3 353.338 2.865 20 5 FFBDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc([N+](=O)[O-])c(F)c1 ZINC001588918584 1080264080 /nfs/dbraw/zinc/26/40/80/1080264080.db2.gz KLOBSFUJEUZEEG-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc([N+](=O)[O-])c(F)c1 ZINC001588918584 1080264085 /nfs/dbraw/zinc/26/40/85/1080264085.db2.gz KLOBSFUJEUZEEG-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1F ZINC001589291906 1080467240 /nfs/dbraw/zinc/46/72/40/1080467240.db2.gz DNOFLPYTICFBHR-UHFFFAOYSA-N -1 3 357.349 2.699 20 5 FFBDHM CC(C)(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1F ZINC001589291906 1080467241 /nfs/dbraw/zinc/46/72/41/1080467241.db2.gz DNOFLPYTICFBHR-UHFFFAOYSA-N -1 3 357.349 2.699 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589804526 1080762064 /nfs/dbraw/zinc/76/20/64/1080762064.db2.gz YOXJQDJGAZBHFK-ZUZCIYMTSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589804526 1080762073 /nfs/dbraw/zinc/76/20/73/1080762073.db2.gz YOXJQDJGAZBHFK-ZUZCIYMTSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001589978650 1080917738 /nfs/dbraw/zinc/91/77/38/1080917738.db2.gz WIVGNWCGBXIIIT-VIFPVBQESA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC001589978650 1080917741 /nfs/dbraw/zinc/91/77/41/1080917741.db2.gz WIVGNWCGBXIIIT-VIFPVBQESA-N -1 3 354.326 2.677 20 5 FFBDHM C[C@](O)(CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC001589991007 1080926067 /nfs/dbraw/zinc/92/60/67/1080926067.db2.gz NVUKWNMQDISEIU-INIZCTEOSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@](O)(CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC001589991007 1080926071 /nfs/dbraw/zinc/92/60/71/1080926071.db2.gz NVUKWNMQDISEIU-INIZCTEOSA-N -1 3 374.788 2.748 20 5 FFBDHM CC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC001590134238 1081039759 /nfs/dbraw/zinc/03/97/59/1081039759.db2.gz RMNWJSKVPRQZME-UHFFFAOYSA-N -1 3 350.382 2.992 20 5 FFBDHM CC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC001590134238 1081039763 /nfs/dbraw/zinc/03/97/63/1081039763.db2.gz RMNWJSKVPRQZME-UHFFFAOYSA-N -1 3 350.382 2.992 20 5 FFBDHM CC1=C[C@@H](C)CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590156200 1081056649 /nfs/dbraw/zinc/05/66/49/1081056649.db2.gz DZNSDYGPAGMHEJ-SNVBAGLBSA-N -1 3 351.370 2.726 20 5 FFBDHM CC1=C[C@@H](C)CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001590156200 1081056654 /nfs/dbraw/zinc/05/66/54/1081056654.db2.gz DZNSDYGPAGMHEJ-SNVBAGLBSA-N -1 3 351.370 2.726 20 5 FFBDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000016112000 249322955 /nfs/dbraw/zinc/32/29/55/249322955.db2.gz LSCPATZSTZAQCE-UHFFFAOYSA-N -1 3 369.377 2.791 20 5 FFBDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000152984562 251089027 /nfs/dbraw/zinc/08/90/27/251089027.db2.gz PLSZEONXYFYUKC-GFCCVEGCSA-N -1 3 366.443 2.894 20 5 FFBDHM C[C@@H](CON=C([O-])Nc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000273512173 252321768 /nfs/dbraw/zinc/32/17/68/252321768.db2.gz XAORHBBDZVWKAT-VIFPVBQESA-N -1 3 372.353 2.700 20 5 FFBDHM C[C@@H](CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000273512173 252321771 /nfs/dbraw/zinc/32/17/71/252321771.db2.gz XAORHBBDZVWKAT-VIFPVBQESA-N -1 3 372.353 2.700 20 5 FFBDHM Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C1)CCCC2 ZINC000275766255 256046096 /nfs/dbraw/zinc/04/60/96/256046096.db2.gz VMEHYXPQNJUKHE-AWEZNQCLSA-N -1 3 370.409 2.771 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2noc3c2CCCC3)c(C)c([N+](=O)[O-])c1 ZINC000277094693 256160818 /nfs/dbraw/zinc/16/08/18/256160818.db2.gz PXFJRPIZAPONTO-UHFFFAOYSA-N -1 3 359.338 2.809 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c1[N+](=O)[O-] ZINC000288632510 257212755 /nfs/dbraw/zinc/21/27/55/257212755.db2.gz OBANZFYXLDYRJY-UHFFFAOYSA-N -1 3 365.411 2.557 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ncc[nH]2)C(C)C)c1C ZINC000289071840 257253860 /nfs/dbraw/zinc/25/38/60/257253860.db2.gz ZNGXJODYAHGWFT-CYBMUJFWSA-N -1 3 352.416 2.610 20 5 FFBDHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000297852594 257865471 /nfs/dbraw/zinc/86/54/71/257865471.db2.gz NBPPDOLKTBWWEU-UHFFFAOYSA-N -1 3 358.398 2.691 20 5 FFBDHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000331142405 258178496 /nfs/dbraw/zinc/17/84/96/258178496.db2.gz FMUNDRSDWDURFB-YPMHNXCESA-N -1 3 374.484 2.946 20 5 FFBDHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000331183533 258179161 /nfs/dbraw/zinc/17/91/61/258179161.db2.gz SLPAYPYVSIKLLA-WCQYABFASA-N -1 3 374.484 2.946 20 5 FFBDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000331209641 258179770 /nfs/dbraw/zinc/17/97/70/258179770.db2.gz QOTXDYKBCQZJAN-TZMCWYRMSA-N -1 3 374.484 2.946 20 5 FFBDHM O=C(c1ccc([O-])cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000097211298 132305691 /nfs/dbraw/zinc/30/56/91/132305691.db2.gz QIQJSTUTDSTGNA-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)N(C)c1ccccc1 ZINC000107524493 222396290 /nfs/dbraw/zinc/39/62/90/222396290.db2.gz DKEBCOGDWXPPRR-CQSZACIVSA-N -1 3 363.439 2.706 20 5 FFBDHM COc1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C ZINC000053692643 506431914 /nfs/dbraw/zinc/43/19/14/506431914.db2.gz PLSLQISFMDCMKT-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000410178732 512218969 /nfs/dbraw/zinc/21/89/69/512218969.db2.gz KXIATLRFRHSJEP-PSASIEDQSA-N -1 3 370.399 2.793 20 5 FFBDHM COC(=O)c1ccsc1[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000038828291 506444822 /nfs/dbraw/zinc/44/48/22/506444822.db2.gz XWPLNWTWAFUJOE-UHFFFAOYSA-N -1 3 366.351 2.712 20 5 FFBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000066935688 506699617 /nfs/dbraw/zinc/69/96/17/506699617.db2.gz MJJNHIPXOLMKHZ-UHFFFAOYSA-N -1 3 372.834 2.560 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2nc3ccccc3s2)cc1 ZINC000045797650 507021534 /nfs/dbraw/zinc/02/15/34/507021534.db2.gz ISELRCXIVFKUJX-UHFFFAOYSA-N -1 3 363.420 2.824 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2F)c(Cl)c1 ZINC000047543241 507355852 /nfs/dbraw/zinc/35/58/52/507355852.db2.gz JKMFLZFQXCMGAJ-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000023762030 507371533 /nfs/dbraw/zinc/37/15/33/507371533.db2.gz YHKPOQFNDADEIS-JTQLQIEISA-N -1 3 365.415 2.730 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1F ZINC000060499137 507552133 /nfs/dbraw/zinc/55/21/33/507552133.db2.gz QGSZXLIAUOCODO-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM CC(=O)Nc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064245224 507787673 /nfs/dbraw/zinc/78/76/73/507787673.db2.gz YHDMDFHEZSUVNP-SECBINFHSA-N -1 3 369.424 2.654 20 5 FFBDHM CCc1cnc(S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[n-]1 ZINC000089595102 507849003 /nfs/dbraw/zinc/84/90/03/507849003.db2.gz UHTMWKZWMBSVFO-UHFFFAOYSA-N -1 3 362.367 2.509 20 5 FFBDHM CCc1c[n-]c(S(=O)(=O)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000089595102 507849006 /nfs/dbraw/zinc/84/90/06/507849006.db2.gz UHTMWKZWMBSVFO-UHFFFAOYSA-N -1 3 362.367 2.509 20 5 FFBDHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000108404924 507893433 /nfs/dbraw/zinc/89/34/33/507893433.db2.gz HMSJYNALPFKQCI-UHFFFAOYSA-N -1 3 369.468 2.806 20 5 FFBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000073349421 507916240 /nfs/dbraw/zinc/91/62/40/507916240.db2.gz LNEURLPUGUUOGE-UHFFFAOYSA-N -1 3 361.832 2.830 20 5 FFBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000111363291 508093721 /nfs/dbraw/zinc/09/37/21/508093721.db2.gz ZTAGJVAJCWSOFA-QMMMGPOBSA-N -1 3 359.404 2.792 20 5 FFBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])sc1C ZINC000076852983 508258624 /nfs/dbraw/zinc/25/86/24/508258624.db2.gz HELRAKQUOMDXQC-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)c1cccs1 ZINC000114498893 508322667 /nfs/dbraw/zinc/32/26/67/508322667.db2.gz HKYNKVLVCNNZHZ-UHFFFAOYSA-N -1 3 370.452 2.921 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1C ZINC000121922231 508449788 /nfs/dbraw/zinc/44/97/88/508449788.db2.gz SUIJZRLYXQYFKW-LSDHHAIUSA-N -1 3 362.407 2.746 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1F ZINC000116361711 508503151 /nfs/dbraw/zinc/50/31/51/508503151.db2.gz JNQOBOCXFCYISM-SKDRFNHKSA-N -1 3 354.334 2.707 20 5 FFBDHM O=c1nc(Cn2nccc2[N+](=O)[O-])[n-]c2scc(-c3ccccc3)c21 ZINC000128001207 508533858 /nfs/dbraw/zinc/53/38/58/508533858.db2.gz BPYOVKMPBQYAQL-UHFFFAOYSA-N -1 3 353.363 2.805 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000157339705 508554341 /nfs/dbraw/zinc/55/43/41/508554341.db2.gz GEEKMKVNTRPULM-UHFFFAOYSA-N -1 3 372.349 2.866 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)c1cccc(C)c1 ZINC000153457902 508585004 /nfs/dbraw/zinc/58/50/04/508585004.db2.gz DBTXNRZVTJSTJW-CYBMUJFWSA-N -1 3 364.423 2.994 20 5 FFBDHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000135565091 508624473 /nfs/dbraw/zinc/62/44/73/508624473.db2.gz FCTSMCYEQRSASD-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000135565091 508624475 /nfs/dbraw/zinc/62/44/75/508624475.db2.gz FCTSMCYEQRSASD-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000123370000 508676463 /nfs/dbraw/zinc/67/64/63/508676463.db2.gz ZILOFMUPJJNKSF-NWDGAFQWSA-N -1 3 356.400 2.938 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1C ZINC000154329395 508762091 /nfs/dbraw/zinc/76/20/91/508762091.db2.gz ILSBTGAHIQMZBX-FHLIZLRMSA-N -1 3 358.419 2.828 20 5 FFBDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000119328120 508773468 /nfs/dbraw/zinc/77/34/68/508773468.db2.gz NNSJPBMOLNQXJW-CYBMUJFWSA-N -1 3 370.409 2.651 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1 ZINC000147722914 508859058 /nfs/dbraw/zinc/85/90/58/508859058.db2.gz SNKPJDFRNHYMHO-UHFFFAOYSA-N -1 3 358.173 2.553 20 5 FFBDHM CNC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000154843380 508867305 /nfs/dbraw/zinc/86/73/05/508867305.db2.gz SOMVFWMTEXZILU-UHFFFAOYSA-N -1 3 373.756 2.736 20 5 FFBDHM Cn1cnc(-c2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc2)n1 ZINC000155197408 508945576 /nfs/dbraw/zinc/94/55/76/508945576.db2.gz CREBUEQREWASCA-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000131998187 508987693 /nfs/dbraw/zinc/98/76/93/508987693.db2.gz XNLCVESMUQXHLO-LLVKDONJSA-N -1 3 354.409 2.631 20 5 FFBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1C(=O)N(C)C ZINC000156046207 509116636 /nfs/dbraw/zinc/11/66/36/509116636.db2.gz ZTYCCVGGXYOGFZ-UHFFFAOYSA-N -1 3 367.365 2.734 20 5 FFBDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000121156029 509140821 /nfs/dbraw/zinc/14/08/21/509140821.db2.gz XBXNHAQRTZVSRJ-CYBMUJFWSA-N -1 3 370.409 2.651 20 5 FFBDHM Nc1c(C(=O)Nc2cc(Br)ccc2[O-])cccc1[N+](=O)[O-] ZINC000163074642 509336709 /nfs/dbraw/zinc/33/67/09/509336709.db2.gz OBEBGCBNZZIEIT-UHFFFAOYSA-N -1 3 352.144 2.897 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000248905162 509537555 /nfs/dbraw/zinc/53/75/55/509537555.db2.gz UULJPSMVWTWOMK-CZUORRHYSA-N -1 3 355.394 2.551 20 5 FFBDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000173353955 509549085 /nfs/dbraw/zinc/54/90/85/509549085.db2.gz OEBUSOWULUPUPE-HNNXBMFYSA-N -1 3 368.411 2.557 20 5 FFBDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000186482568 509731678 /nfs/dbraw/zinc/73/16/78/509731678.db2.gz TWRUCLRBMFOVNU-QMMMGPOBSA-N -1 3 359.404 2.581 20 5 FFBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000173806088 509788682 /nfs/dbraw/zinc/78/86/82/509788682.db2.gz UAGRIJYAYLKUMV-HNNXBMFYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1csc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)n1 ZINC000183447854 509795128 /nfs/dbraw/zinc/79/51/28/509795128.db2.gz KWEIFHURGKKBRC-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM Cc1nc(C)c(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000176989494 509802881 /nfs/dbraw/zinc/80/28/81/509802881.db2.gz YVCUXMSKKOMMRQ-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177182901 509922099 /nfs/dbraw/zinc/92/20/99/509922099.db2.gz IQIGUOGHOXXUSM-AWEZNQCLSA-N -1 3 355.394 2.819 20 5 FFBDHM CCO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000193543884 509957777 /nfs/dbraw/zinc/95/77/77/509957777.db2.gz FYMXVBWTGLCIBH-INIZCTEOSA-N -1 3 364.423 2.959 20 5 FFBDHM CCO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000193543960 509959947 /nfs/dbraw/zinc/95/99/47/509959947.db2.gz MVMIDYIZKVYCAP-OAHLLOKOSA-N -1 3 368.386 2.790 20 5 FFBDHM NC(=O)c1ccc(F)c([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000180525867 509965440 /nfs/dbraw/zinc/96/54/40/509965440.db2.gz JGKDYXMKKCZEHB-UHFFFAOYSA-N -1 3 369.255 2.687 20 5 FFBDHM O=C(Nc1nccn1Cc1ccccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193588276 509979450 /nfs/dbraw/zinc/97/94/50/509979450.db2.gz LPPHOPWHZORELU-UHFFFAOYSA-N -1 3 373.756 2.846 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@](C)(O)C1CCCCC1 ZINC000190367228 510090101 /nfs/dbraw/zinc/09/01/01/510090101.db2.gz ONXRAWTWUJLUDS-MRXNPFEDSA-N -1 3 356.444 2.513 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000187175378 510103586 /nfs/dbraw/zinc/10/35/86/510103586.db2.gz JLJQAZGTHPUJPK-CYBMUJFWSA-N -1 3 369.374 2.567 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])Oc1ccccc1F ZINC000184591831 510404729 /nfs/dbraw/zinc/40/47/29/510404729.db2.gz JSCWGEAAEGSDGG-GFCCVEGCSA-N -1 3 368.386 2.621 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000178126767 510446059 /nfs/dbraw/zinc/44/60/59/510446059.db2.gz HPIVSIOCTFWWOL-UHFFFAOYSA-N -1 3 372.349 2.669 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000178717395 510735066 /nfs/dbraw/zinc/73/50/66/510735066.db2.gz RQPMICDJYVNGAB-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000178717395 510735073 /nfs/dbraw/zinc/73/50/73/510735073.db2.gz RQPMICDJYVNGAB-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn1 ZINC000295367250 511380182 /nfs/dbraw/zinc/38/01/82/511380182.db2.gz PNBYODSOAXZYBT-JTQLQIEISA-N -1 3 372.834 2.813 20 5 FFBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280824666 511617400 /nfs/dbraw/zinc/61/74/00/511617400.db2.gz SQJWCCMRGLCDDS-INIZCTEOSA-N -1 3 355.394 2.867 20 5 FFBDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000376157829 512687235 /nfs/dbraw/zinc/68/72/35/512687235.db2.gz MESKMJAKSXPPBA-CYBMUJFWSA-N -1 3 370.409 2.651 20 5 FFBDHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000368060465 512785334 /nfs/dbraw/zinc/78/53/34/512785334.db2.gz MZQQBYAJDCLBBK-UHFFFAOYSA-N -1 3 359.292 2.532 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000398069938 512952867 /nfs/dbraw/zinc/95/28/67/512952867.db2.gz ITKRMJSWJNQISC-PBHICJAKSA-N -1 3 369.421 2.941 20 5 FFBDHM CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447018867 513383744 /nfs/dbraw/zinc/38/37/44/513383744.db2.gz AJKVMXUUAVKDPS-UHFFFAOYSA-N -1 3 351.222 2.682 20 5 FFBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000447018177 513383842 /nfs/dbraw/zinc/38/38/42/513383842.db2.gz SEHMQFUJSBCRGC-UHFFFAOYSA-N -1 3 363.233 2.968 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000435206668 513531689 /nfs/dbraw/zinc/53/16/89/513531689.db2.gz NEGWHZMQKFTQHR-USXIJHARSA-N -1 3 358.419 2.910 20 5 FFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000430129390 513562912 /nfs/dbraw/zinc/56/29/12/513562912.db2.gz VASSEPSXARIIRR-UHFFFAOYSA-N -1 3 361.155 2.679 20 5 FFBDHM CC(C)(OCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(F)(F)F ZINC000448112589 513678995 /nfs/dbraw/zinc/67/89/95/513678995.db2.gz FMSNFTIOEQQVLI-UHFFFAOYSA-N -1 3 372.303 2.703 20 5 FFBDHM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000442741961 513763375 /nfs/dbraw/zinc/76/33/75/513763375.db2.gz BWHLXRPTSRBLSC-NSHDSACASA-N -1 3 370.427 2.613 20 5 FFBDHM COc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1C(F)(F)F ZINC000448521900 513772298 /nfs/dbraw/zinc/77/22/98/513772298.db2.gz SUGHIJRFPVAURW-UHFFFAOYSA-N -1 3 357.244 2.975 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000442777249 513777947 /nfs/dbraw/zinc/77/79/47/513777947.db2.gz CZIQJFGMIFCXFQ-WDEREUQCSA-N -1 3 360.407 2.990 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000436168944 513781112 /nfs/dbraw/zinc/78/11/12/513781112.db2.gz YZFDLLMFWAQROL-HNNXBMFYSA-N -1 3 368.386 2.708 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436179004 513785054 /nfs/dbraw/zinc/78/50/54/513785054.db2.gz WKCAUAKZWKHBQO-AWEZNQCLSA-N -1 3 368.386 2.708 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C1CC1 ZINC000416584606 513849541 /nfs/dbraw/zinc/84/95/41/513849541.db2.gz NKBHMEUKVQMIET-OCCSQVGLSA-N -1 3 354.428 2.708 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000416631270 513877482 /nfs/dbraw/zinc/87/74/82/513877482.db2.gz KXEXWZJYUQZWER-UHFFFAOYSA-N -1 3 355.441 2.616 20 5 FFBDHM O=[N+]([O-])c1cc2c(cc1Cc1nc(-c3ccc([O-])cc3)no1)OCCO2 ZINC000436531398 513887664 /nfs/dbraw/zinc/88/76/64/513887664.db2.gz HUZVLFHKQTXBGP-UHFFFAOYSA-N -1 3 355.306 2.712 20 5 FFBDHM Cc1ccc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([O-])c1C ZINC000436537321 513889713 /nfs/dbraw/zinc/88/97/13/513889713.db2.gz OYYXCEXGWALXCI-ZDUSSCGKSA-N -1 3 356.382 2.639 20 5 FFBDHM Cc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)c([O-])c1 ZINC000431613574 513943664 /nfs/dbraw/zinc/94/36/64/513943664.db2.gz HLGMTDJHDQMPNS-UHFFFAOYSA-N -1 3 369.333 2.515 20 5 FFBDHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000431685689 513968714 /nfs/dbraw/zinc/96/87/14/513968714.db2.gz MIZCQXJTMDODAL-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000431685689 513968719 /nfs/dbraw/zinc/96/87/19/513968719.db2.gz MIZCQXJTMDODAL-UHFFFAOYSA-N -1 3 352.354 2.691 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000451802351 513990927 /nfs/dbraw/zinc/99/09/27/513990927.db2.gz NOYIYGDQJBHPFY-CYBMUJFWSA-N -1 3 354.428 2.531 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2c[nH]c3ncccc23)cc1C ZINC000443788250 514042779 /nfs/dbraw/zinc/04/27/79/514042779.db2.gz WQABQQICMOFTCY-UHFFFAOYSA-N -1 3 374.422 2.609 20 5 FFBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(F)c(F)c(F)c1 ZINC000426814153 514047537 /nfs/dbraw/zinc/04/75/37/514047537.db2.gz CVJBGJFGPPWLQY-ZDUSSCGKSA-N -1 3 354.284 2.798 20 5 FFBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437006276 514073776 /nfs/dbraw/zinc/07/37/76/514073776.db2.gz ZXSOUMXYTXBMCB-HNNXBMFYSA-N -1 3 373.340 2.683 20 5 FFBDHM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000451931706 514080071 /nfs/dbraw/zinc/08/00/71/514080071.db2.gz LYHIHKYEDPQKSJ-JTQLQIEISA-N -1 3 372.834 2.813 20 5 FFBDHM CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)[C@@H]1C[C@@H]1C ZINC000452159985 514222864 /nfs/dbraw/zinc/22/28/64/514222864.db2.gz SZWDCWDQVQXFAY-MGPLVRAMSA-N -1 3 370.365 2.709 20 5 FFBDHM C[C@H]1C(=O)CC[C@H](C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1(C)C ZINC000444636652 514280447 /nfs/dbraw/zinc/28/04/47/514280447.db2.gz ODUDCQMTFKCKAA-SMDDNHRTSA-N -1 3 370.409 2.987 20 5 FFBDHM CCOC(=O)c1nnc(-c2cccc(CNc3ncccc3[N+](=O)[O-])c2)[n-]1 ZINC000432927017 514324327 /nfs/dbraw/zinc/32/43/27/514324327.db2.gz JIJVWEZVORKWAW-UHFFFAOYSA-N -1 3 368.353 2.564 20 5 FFBDHM CCOC(=O)c1nc(-c2cccc(CNc3ncccc3[N+](=O)[O-])c2)n[n-]1 ZINC000432927017 514324331 /nfs/dbraw/zinc/32/43/31/514324331.db2.gz JIJVWEZVORKWAW-UHFFFAOYSA-N -1 3 368.353 2.564 20 5 FFBDHM Cc1ccc([C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000428021642 514376117 /nfs/dbraw/zinc/37/61/17/514376117.db2.gz GALRGUXUJUCXIW-INIZCTEOSA-N -1 3 359.382 2.769 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CC12CCSCC2 ZINC000449836487 514380421 /nfs/dbraw/zinc/38/04/21/514380421.db2.gz UVQZYZPDTVCTAS-ZDUSSCGKSA-N -1 3 358.423 2.879 20 5 FFBDHM CCn1c(=O)[n-]nc1SCc1ccc(Br)cc1[N+](=O)[O-] ZINC000424100850 514380685 /nfs/dbraw/zinc/38/06/85/514380685.db2.gz OIWYECSAMDDXIW-UHFFFAOYSA-N -1 3 359.205 2.967 20 5 FFBDHM O=C(NCc1ncccc1[O-])Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000471194394 514791033 /nfs/dbraw/zinc/79/10/33/514791033.db2.gz NIYJKMMUAHVVNU-UHFFFAOYSA-N -1 3 354.269 2.619 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000480047163 514822642 /nfs/dbraw/zinc/82/26/42/514822642.db2.gz OZZBDATUZJMLPA-CYBMUJFWSA-N -1 3 368.411 2.861 20 5 FFBDHM O=C(c1cc(F)cc2[n-]nnc21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000502968282 514860821 /nfs/dbraw/zinc/86/08/21/514860821.db2.gz ALJHZMYJPAKZKK-INIZCTEOSA-N -1 3 373.369 2.893 20 5 FFBDHM O=C(c1cc(F)cc2nn[n-]c21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000502968282 514860828 /nfs/dbraw/zinc/86/08/28/514860828.db2.gz ALJHZMYJPAKZKK-INIZCTEOSA-N -1 3 373.369 2.893 20 5 FFBDHM O=C(c1cc(F)cc2n[n-]nc21)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000502968282 514860838 /nfs/dbraw/zinc/86/08/38/514860838.db2.gz ALJHZMYJPAKZKK-INIZCTEOSA-N -1 3 373.369 2.893 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000467067254 514885016 /nfs/dbraw/zinc/88/50/16/514885016.db2.gz ZRXXOAMHNKCKPC-JQWIXIFHSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000467076629 514889389 /nfs/dbraw/zinc/88/93/89/514889389.db2.gz WYEODLNETKXYRS-JTQLQIEISA-N -1 3 358.372 2.516 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000467394260 514993329 /nfs/dbraw/zinc/99/33/29/514993329.db2.gz OKPKUBUJOMYLPI-GXFFZTMASA-N -1 3 362.473 2.838 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000467394262 514994779 /nfs/dbraw/zinc/99/47/79/514994779.db2.gz OKPKUBUJOMYLPI-ZWNOBZJWSA-N -1 3 362.473 2.838 20 5 FFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000485364930 515010574 /nfs/dbraw/zinc/01/05/74/515010574.db2.gz ARNXKCOYECFYSU-ZDUSSCGKSA-N -1 3 373.365 2.814 20 5 FFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467708255 515087128 /nfs/dbraw/zinc/08/71/28/515087128.db2.gz CKWVAXSDQLCVJO-UHFFFAOYSA-N -1 3 359.292 2.641 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000456338890 515106899 /nfs/dbraw/zinc/10/68/99/515106899.db2.gz OLCWKDGUVIVJAA-HNNXBMFYSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])c1 ZINC000467767428 515108876 /nfs/dbraw/zinc/10/88/76/515108876.db2.gz DLPVLOBVBRRSLV-UHFFFAOYSA-N -1 3 370.456 2.531 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(F)c1 ZINC000467767429 515109238 /nfs/dbraw/zinc/10/92/38/515109238.db2.gz DLXWXJBWHKWUOT-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM COc1cccc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000480949417 515148375 /nfs/dbraw/zinc/14/83/75/515148375.db2.gz ISYQAYDBUQKUHR-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM COc1ccccc1CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499016037 515166449 /nfs/dbraw/zinc/16/64/49/515166449.db2.gz JSVDIBMTQXRIKQ-UHFFFAOYSA-N -1 3 366.377 2.987 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000481009011 515171380 /nfs/dbraw/zinc/17/13/80/515171380.db2.gz FRIGKNOAGPTEJA-WFASDCNBSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000481027622 515178360 /nfs/dbraw/zinc/17/83/60/515178360.db2.gz WGZLHWBGSITTCV-GFCCVEGCSA-N -1 3 372.443 2.610 20 5 FFBDHM Cc1ccc(OCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000509749642 515312389 /nfs/dbraw/zinc/31/23/89/515312389.db2.gz DQQRZYFWYSETMO-UHFFFAOYSA-N -1 3 368.386 2.790 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000509766646 515316973 /nfs/dbraw/zinc/31/69/73/515316973.db2.gz JOWRTGHPGNNMEA-AWEZNQCLSA-N -1 3 363.439 2.706 20 5 FFBDHM Cn1[n-]c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC(F)F ZINC000490971685 515345610 /nfs/dbraw/zinc/34/56/10/515345610.db2.gz LRKOYCKXOBIFTN-UHFFFAOYSA-N -1 3 368.321 2.819 20 5 FFBDHM CN(C)c1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000468839381 515545350 /nfs/dbraw/zinc/54/53/50/515545350.db2.gz DFJGOKITDQSFHJ-UHFFFAOYSA-N -1 3 369.830 2.793 20 5 FFBDHM O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505747592 515654777 /nfs/dbraw/zinc/65/47/77/515654777.db2.gz MEWQIUISLZPIBW-UHFFFAOYSA-N -1 3 355.394 2.695 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCOc2ccccc2F)c1[N+](=O)[O-] ZINC000478152813 515718972 /nfs/dbraw/zinc/71/89/72/515718972.db2.gz RPTWIPCCCSWRLO-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000511033567 515751551 /nfs/dbraw/zinc/75/15/51/515751551.db2.gz UDUGCBUKTBXWDL-LURJTMIESA-N -1 3 363.367 2.677 20 5 FFBDHM CCOc1nc2cc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc2[n-]1 ZINC000469565357 515869063 /nfs/dbraw/zinc/86/90/63/515869063.db2.gz NPWJKQTTYDVKOX-UHFFFAOYSA-N -1 3 354.366 2.842 20 5 FFBDHM CCOc1nc2ccc(C(=O)NCCc3ccc([N+](=O)[O-])cc3)cc2[n-]1 ZINC000469565357 515869069 /nfs/dbraw/zinc/86/90/69/515869069.db2.gz NPWJKQTTYDVKOX-UHFFFAOYSA-N -1 3 354.366 2.842 20 5 FFBDHM COc1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc(Cl)cc1C(=O)N(C)C ZINC000501880005 516255250 /nfs/dbraw/zinc/25/52/50/516255250.db2.gz OJACKAJWNIYPHB-UHFFFAOYSA-N -1 3 367.745 2.804 20 5 FFBDHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000497318093 516305785 /nfs/dbraw/zinc/30/57/85/516305785.db2.gz GANFVMSUGMXJHY-QMMMGPOBSA-N -1 3 363.233 2.824 20 5 FFBDHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000497363329 516314411 /nfs/dbraw/zinc/31/44/11/516314411.db2.gz FMNMDAYTIDRFEY-ZDUSSCGKSA-N -1 3 364.423 2.821 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000512763911 516349726 /nfs/dbraw/zinc/34/97/26/516349726.db2.gz XORADTZCLTUKPE-NSHDSACASA-N -1 3 368.386 2.825 20 5 FFBDHM CCc1nc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])sc1C(=O)OC ZINC000512886097 516401809 /nfs/dbraw/zinc/40/18/09/516401809.db2.gz FUNYSBQNERNYMB-UHFFFAOYSA-N -1 3 365.367 2.661 20 5 FFBDHM Cc1ccc2[n-]cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c(=O)c2c1 ZINC000561196126 516443736 /nfs/dbraw/zinc/44/37/36/516443736.db2.gz KTCHJSZLHBCQPI-UHFFFAOYSA-N -1 3 363.373 2.943 20 5 FFBDHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000532203057 516856465 /nfs/dbraw/zinc/85/64/65/516856465.db2.gz FICXHQHXTQCXJJ-UHFFFAOYSA-N -1 3 352.372 2.734 20 5 FFBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000536706761 516904140 /nfs/dbraw/zinc/90/41/40/516904140.db2.gz VENQKNZRVUAFAO-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](SC)C(C)(C)C ZINC000541308998 516980186 /nfs/dbraw/zinc/98/01/86/516980186.db2.gz USZSPKSSRNQGAN-CYBMUJFWSA-N -1 3 362.473 2.659 20 5 FFBDHM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000525819366 517180814 /nfs/dbraw/zinc/18/08/14/517180814.db2.gz FMULFLQXEIEGCI-UHFFFAOYSA-N -1 3 356.400 2.934 20 5 FFBDHM O=C(CCNc1ccccc1[N+](=O)[O-])N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000553274039 517618369 /nfs/dbraw/zinc/61/83/69/517618369.db2.gz IHQAUAJEYHOEDR-UHFFFAOYSA-N -1 3 351.366 2.848 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCO[C@H](CC(C)C)C1 ZINC000538537051 517660987 /nfs/dbraw/zinc/66/09/87/517660987.db2.gz HYJFUNDHQGGSCV-UONOGXRCSA-N -1 3 356.444 2.775 20 5 FFBDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000553535169 517769494 /nfs/dbraw/zinc/76/94/94/517769494.db2.gz WOAGJSQTLZNEJR-UHFFFAOYSA-N -1 3 354.366 2.773 20 5 FFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000546883131 517904293 /nfs/dbraw/zinc/90/42/93/517904293.db2.gz CQJKJKPYOWQBRJ-QMMMGPOBSA-N -1 3 356.322 2.613 20 5 FFBDHM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000539383496 518019543 /nfs/dbraw/zinc/01/95/43/518019543.db2.gz ARXSSAJHPKKABA-ZEGGKSINSA-N -1 3 362.835 2.586 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2([C@H](C)CCO)CCC2)cc1C ZINC000539383598 518019816 /nfs/dbraw/zinc/01/98/16/518019816.db2.gz DDDGAVXNDBPXQY-CQSZACIVSA-N -1 3 370.471 2.679 20 5 FFBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1nnc2ccccc2n1 ZINC000560798575 518033552 /nfs/dbraw/zinc/03/35/52/518033552.db2.gz TWIQDJXWRQCPRU-UHFFFAOYSA-N -1 3 374.154 2.948 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)c1ccc(Cl)cc1 ZINC000560846011 518059451 /nfs/dbraw/zinc/05/94/51/518059451.db2.gz ADXQVWQFKWPDND-ZDUSSCGKSA-N -1 3 370.814 2.569 20 5 FFBDHM Cc1ccc(OCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000535132154 518155908 /nfs/dbraw/zinc/15/59/08/518155908.db2.gz AYGUIPQCRZEHJD-UHFFFAOYSA-N -1 3 364.379 2.536 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000564092846 518303037 /nfs/dbraw/zinc/30/30/37/518303037.db2.gz KAMGCOZFKATJLT-GFCCVEGCSA-N -1 3 352.334 2.831 20 5 FFBDHM Cc1cc(C)c(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000564095502 518304239 /nfs/dbraw/zinc/30/42/39/518304239.db2.gz QVJCDRGJVYQTBP-GFCCVEGCSA-N -1 3 352.334 2.831 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000567106866 518355333 /nfs/dbraw/zinc/35/53/33/518355333.db2.gz ATYAUIBZTBKYLJ-LSDHHAIUSA-N -1 3 362.407 2.746 20 5 FFBDHM C[C@H]1CN(CCCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000567981376 518814005 /nfs/dbraw/zinc/81/40/05/518814005.db2.gz HLYVPXRUPOXDAT-STQMWFEESA-N -1 3 351.403 2.594 20 5 FFBDHM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c[n-]nc1-c1ccccn1 ZINC000568337322 518984132 /nfs/dbraw/zinc/98/41/32/518984132.db2.gz FEPGFQBGWJLGPK-UHFFFAOYSA-N -1 3 357.757 2.963 20 5 FFBDHM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000565661708 519070130 /nfs/dbraw/zinc/07/01/30/519070130.db2.gz UJKAGMUVYVUNGK-HNNXBMFYSA-N -1 3 355.394 2.647 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000590166927 519166459 /nfs/dbraw/zinc/16/64/59/519166459.db2.gz CKNGJCNXGYQTFS-JSGCOSHPSA-N -1 3 350.371 2.816 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)c1ccccc1 ZINC000590590675 519277533 /nfs/dbraw/zinc/27/75/33/519277533.db2.gz JCRKBIVKMVHRHF-OAHLLOKOSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2ccccc2F)c(F)cc1[N+](=O)[O-] ZINC000590589960 519278404 /nfs/dbraw/zinc/27/84/04/519278404.db2.gz QIQXSPLHRAXAQQ-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000572150971 519469721 /nfs/dbraw/zinc/46/97/21/519469721.db2.gz JRWVLLNHQQLYAL-HNNXBMFYSA-N -1 3 366.377 2.750 20 5 FFBDHM C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000572163148 519475101 /nfs/dbraw/zinc/47/51/01/519475101.db2.gz VIEKZRDJYZJMAY-JTQLQIEISA-N -1 3 355.822 2.756 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@H]12 ZINC000594484116 519995407 /nfs/dbraw/zinc/99/54/07/519995407.db2.gz SIRPLRRLOFLHRE-QWHCGFSZSA-N -1 3 373.862 2.543 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)CC(F)F ZINC000592067143 520163153 /nfs/dbraw/zinc/16/31/53/520163153.db2.gz OFPXWVLVADNJIU-SECBINFHSA-N -1 3 359.354 2.713 20 5 FFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(F)F ZINC000594856563 520192846 /nfs/dbraw/zinc/19/28/46/520192846.db2.gz HWCQDPXHFFXIRH-SNVBAGLBSA-N -1 3 374.287 2.937 20 5 FFBDHM COc1ccc(F)cc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000609201932 520229934 /nfs/dbraw/zinc/22/99/34/520229934.db2.gz AWDDVYIUIBCLOD-UHFFFAOYSA-N -1 3 356.313 2.807 20 5 FFBDHM COC(=O)c1sc2[n-]c(Cc3ccccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000603824688 520368823 /nfs/dbraw/zinc/36/88/23/520368823.db2.gz LBXCAXLAOYZYMS-UHFFFAOYSA-N -1 3 359.363 2.579 20 5 FFBDHM CN(C)CCOc1ccc(CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000592972023 520665364 /nfs/dbraw/zinc/66/53/64/520665364.db2.gz OJQBNRUSDCIJDT-UHFFFAOYSA-N -1 3 373.409 2.888 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nnn(C2CC2)c1C(F)(F)F ZINC000610411804 520673201 /nfs/dbraw/zinc/67/32/01/520673201.db2.gz JZKSUSROUYOZMB-UHFFFAOYSA-N -1 3 371.275 2.801 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2CN(C)C)c([N+](=O)[O-])s1 ZINC000601292140 520727406 /nfs/dbraw/zinc/72/74/06/520727406.db2.gz KSTDGXMHMBDNNR-UHFFFAOYSA-N -1 3 369.468 2.505 20 5 FFBDHM O=c1[n-]ccc(N[C@H]2CCN(c3ccccc3OC(F)F)C2)c1[N+](=O)[O-] ZINC000596133723 520931752 /nfs/dbraw/zinc/93/17/52/520931752.db2.gz ZDZOSORHNZJQKC-JTQLQIEISA-N -1 3 366.324 2.988 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)Cc2cccc([N+](=O)[O-])c2C)[nH][n-]1 ZINC000610987029 520932037 /nfs/dbraw/zinc/93/20/37/520932037.db2.gz PTQAHOWWGSMTIF-UHFFFAOYSA-N -1 3 366.377 2.905 20 5 FFBDHM O=c1[n-]ccc(N2CCN(c3ccc(F)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000596180444 520955579 /nfs/dbraw/zinc/95/55/79/520955579.db2.gz SRPQBSMKHOWWKI-UHFFFAOYSA-N -1 3 352.753 2.815 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(OC(C)C)CC1 ZINC000611038960 520957026 /nfs/dbraw/zinc/95/70/26/520957026.db2.gz GGLULUGGZLFEHE-UHFFFAOYSA-N -1 3 372.443 2.618 20 5 FFBDHM O=C([N-]c1ncc(Cc2cc(F)cc(F)c2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000611199370 521033066 /nfs/dbraw/zinc/03/30/66/521033066.db2.gz BZTKFKJEJGDHAL-UHFFFAOYSA-N -1 3 365.321 2.896 20 5 FFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000599367113 521178138 /nfs/dbraw/zinc/17/81/38/521178138.db2.gz AEPBFJRNIKUYCZ-NSHDSACASA-N -1 3 350.824 2.732 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000619447400 521571238 /nfs/dbraw/zinc/57/12/38/521571238.db2.gz XWQAPTJMGXCTGW-UHFFFAOYSA-N -1 3 364.333 2.550 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c[n-]1 ZINC000619447400 521571242 /nfs/dbraw/zinc/57/12/42/521571242.db2.gz XWQAPTJMGXCTGW-UHFFFAOYSA-N -1 3 364.333 2.550 20 5 FFBDHM O=C(CN1CCc2ccccc21)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000522360376 562197421 /nfs/dbraw/zinc/19/74/21/562197421.db2.gz VSORFIQDOHXOML-UHFFFAOYSA-N -1 3 363.377 2.986 20 5 FFBDHM CCC[C@H](CCO)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821020833 599104747 /nfs/dbraw/zinc/10/47/47/599104747.db2.gz INPRWTGDHTUIBF-LLVKDONJSA-N -1 3 371.401 2.534 20 5 FFBDHM CCC[C@H](CCO)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821020833 599104748 /nfs/dbraw/zinc/10/47/48/599104748.db2.gz INPRWTGDHTUIBF-LLVKDONJSA-N -1 3 371.401 2.534 20 5 FFBDHM CC(C)COCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735837464 599261530 /nfs/dbraw/zinc/26/15/30/599261530.db2.gz HZZPKMBWWPQILX-UHFFFAOYSA-N -1 3 371.401 2.798 20 5 FFBDHM CC(C)COCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000735837464 599261532 /nfs/dbraw/zinc/26/15/32/599261532.db2.gz HZZPKMBWWPQILX-UHFFFAOYSA-N -1 3 371.401 2.798 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737191709 599306296 /nfs/dbraw/zinc/30/62/96/599306296.db2.gz QSKRMPWAVBEFOT-UHFFFAOYSA-N -1 3 370.394 2.773 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737191709 599306298 /nfs/dbraw/zinc/30/62/98/599306298.db2.gz QSKRMPWAVBEFOT-UHFFFAOYSA-N -1 3 370.394 2.773 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000822331420 599343077 /nfs/dbraw/zinc/34/30/77/599343077.db2.gz GBRCTQWMDMUNII-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000822331420 599343080 /nfs/dbraw/zinc/34/30/80/599343080.db2.gz GBRCTQWMDMUNII-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000822270878 599345592 /nfs/dbraw/zinc/34/55/92/599345592.db2.gz BFQGRCCLKNTYKY-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000822270878 599345594 /nfs/dbraw/zinc/34/55/94/599345594.db2.gz BFQGRCCLKNTYKY-UHFFFAOYSA-N -1 3 370.394 2.814 20 5 FFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000736749248 599372777 /nfs/dbraw/zinc/37/27/77/599372777.db2.gz ORLWJYAXOSISFO-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000736749248 599372778 /nfs/dbraw/zinc/37/27/78/599372778.db2.gz ORLWJYAXOSISFO-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738232635 599499654 /nfs/dbraw/zinc/49/96/54/599499654.db2.gz UYHZIQORRUIZKG-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738232635 599499657 /nfs/dbraw/zinc/49/96/57/599499657.db2.gz UYHZIQORRUIZKG-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM COc1cccc(OCCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737142788 599528393 /nfs/dbraw/zinc/52/83/93/599528393.db2.gz ZXNFXXSFHFKNBG-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM COc1cccc(OCCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737142788 599528394 /nfs/dbraw/zinc/52/83/94/599528394.db2.gz ZXNFXXSFHFKNBG-UHFFFAOYSA-N -1 3 370.369 2.665 20 5 FFBDHM CCC(CC)[C@H](O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820892595 599549084 /nfs/dbraw/zinc/54/90/84/599549084.db2.gz CGTZDHDGQUNMIN-OAHLLOKOSA-N -1 3 371.401 2.532 20 5 FFBDHM CCC(CC)[C@H](O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820892595 599549085 /nfs/dbraw/zinc/54/90/85/599549085.db2.gz CGTZDHDGQUNMIN-OAHLLOKOSA-N -1 3 371.401 2.532 20 5 FFBDHM CSCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962815 599564345 /nfs/dbraw/zinc/56/43/45/599564345.db2.gz XEXXYJQLBAWVPD-UHFFFAOYSA-N -1 3 359.415 2.878 20 5 FFBDHM CSCCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821962815 599564347 /nfs/dbraw/zinc/56/43/47/599564347.db2.gz XEXXYJQLBAWVPD-UHFFFAOYSA-N -1 3 359.415 2.878 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000826254170 607408569 /nfs/dbraw/zinc/40/85/69/607408569.db2.gz YHDXWIYOEGCELH-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000826254170 607408571 /nfs/dbraw/zinc/40/85/71/607408571.db2.gz YHDXWIYOEGCELH-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832973062 601651775 /nfs/dbraw/zinc/65/17/75/601651775.db2.gz UZQCTMFEGQIMTF-ACJLOTCBSA-N -1 3 371.393 2.893 20 5 FFBDHM Cc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826286420 607523042 /nfs/dbraw/zinc/52/30/42/607523042.db2.gz BJHLGBQSFVSJEG-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM Cc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1 ZINC000826286420 607523044 /nfs/dbraw/zinc/52/30/44/607523044.db2.gz BJHLGBQSFVSJEG-UHFFFAOYSA-N -1 3 372.772 2.918 20 5 FFBDHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000833585203 605350388 /nfs/dbraw/zinc/35/03/88/605350388.db2.gz QTQFISORFKRRLM-MRXNPFEDSA-N -1 3 362.382 2.586 20 5 FFBDHM O=C([O-])Nc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000834269314 605607617 /nfs/dbraw/zinc/60/76/17/605607617.db2.gz SJQCWFMKUZYHGD-AWEZNQCLSA-N -1 3 357.370 2.766 20 5 FFBDHM CCNc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821309790 606267901 /nfs/dbraw/zinc/26/79/01/606267901.db2.gz UIMNALWWZLFIEH-UHFFFAOYSA-N -1 3 371.332 2.598 20 5 FFBDHM CCNc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821309790 606267902 /nfs/dbraw/zinc/26/79/02/606267902.db2.gz UIMNALWWZLFIEH-UHFFFAOYSA-N -1 3 371.332 2.598 20 5 FFBDHM C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502467 606345598 /nfs/dbraw/zinc/34/55/98/606345598.db2.gz SFXFLJQCLBCSPI-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502467 606345600 /nfs/dbraw/zinc/34/56/00/606345600.db2.gz SFXFLJQCLBCSPI-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497098 606357651 /nfs/dbraw/zinc/35/76/51/606357651.db2.gz PQOLBAVTXVJEQG-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820497098 606357652 /nfs/dbraw/zinc/35/76/52/606357652.db2.gz PQOLBAVTXVJEQG-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820803707 606475082 /nfs/dbraw/zinc/47/50/82/606475082.db2.gz GBWKRTDXDGUNJU-YVEFUNNKSA-N -1 3 366.381 2.741 20 5 FFBDHM C[C@H]1CO[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820803707 606475084 /nfs/dbraw/zinc/47/50/84/606475084.db2.gz GBWKRTDXDGUNJU-YVEFUNNKSA-N -1 3 366.381 2.741 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCOc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000823643869 606788107 /nfs/dbraw/zinc/78/81/07/606788107.db2.gz DMTXSEUEVZWPFP-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc(OCCOc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000823643869 606788109 /nfs/dbraw/zinc/78/81/09/606788109.db2.gz DMTXSEUEVZWPFP-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM Cc1cc(F)cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822203050 606947056 /nfs/dbraw/zinc/94/70/56/606947056.db2.gz BHJDWDHJGXNOJR-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(F)cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822203050 606947057 /nfs/dbraw/zinc/94/70/57/606947057.db2.gz BHJDWDHJGXNOJR-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820232506 607041311 /nfs/dbraw/zinc/04/13/11/607041311.db2.gz GOOWZCODYAVFPZ-MGPLVRAMSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820232506 607041312 /nfs/dbraw/zinc/04/13/12/607041312.db2.gz GOOWZCODYAVFPZ-MGPLVRAMSA-N -1 3 372.360 2.838 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccco1)C[C@H]1CCCO1 ZINC000823629947 607042647 /nfs/dbraw/zinc/04/26/47/607042647.db2.gz NDJRRWNXTHXONC-CQSZACIVSA-N -1 3 370.369 2.554 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccco1)C[C@H]1CCCO1 ZINC000823629947 607042649 /nfs/dbraw/zinc/04/26/49/607042649.db2.gz NDJRRWNXTHXONC-CQSZACIVSA-N -1 3 370.369 2.554 20 5 FFBDHM C[C@@H](O)C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000820473880 607045799 /nfs/dbraw/zinc/04/57/99/607045799.db2.gz NKMLSFNWPHRIFL-TZMCWYRMSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@@H](O)C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC000820473880 607045801 /nfs/dbraw/zinc/04/58/01/607045801.db2.gz NKMLSFNWPHRIFL-TZMCWYRMSA-N -1 3 368.397 2.742 20 5 FFBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376997 607800612 /nfs/dbraw/zinc/80/06/12/607800612.db2.gz QSTUZXIZZJDFRR-UHFFFAOYSA-N -1 3 366.381 2.679 20 5 FFBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825376997 607800613 /nfs/dbraw/zinc/80/06/13/607800613.db2.gz QSTUZXIZZJDFRR-UHFFFAOYSA-N -1 3 366.381 2.679 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(c3ccccn3)CC2)c(-c2nnn[n-]2)c1 ZINC000826498678 607820648 /nfs/dbraw/zinc/82/06/48/607820648.db2.gz FHOHNIIIQLIITB-UHFFFAOYSA-N -1 3 351.370 2.554 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCC(c3ccccn3)CC2)c(-c2nn[n-]n2)c1 ZINC000826498678 607820649 /nfs/dbraw/zinc/82/06/49/607820649.db2.gz FHOHNIIIQLIITB-UHFFFAOYSA-N -1 3 351.370 2.554 20 5 FFBDHM O=C1CCCc2cc(Oc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2N1 ZINC000826480862 608150875 /nfs/dbraw/zinc/15/08/75/608150875.db2.gz VCRHWIZKUHRHHF-UHFFFAOYSA-N -1 3 366.337 2.842 20 5 FFBDHM O=C1CCCc2cc(Oc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2N1 ZINC000826480862 608150876 /nfs/dbraw/zinc/15/08/76/608150876.db2.gz VCRHWIZKUHRHHF-UHFFFAOYSA-N -1 3 366.337 2.842 20 5 FFBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825957856 608151355 /nfs/dbraw/zinc/15/13/55/608151355.db2.gz IHKZVCNVEDBDHM-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825957856 608151357 /nfs/dbraw/zinc/15/13/57/608151357.db2.gz IHKZVCNVEDBDHM-UHFFFAOYSA-N -1 3 372.772 2.701 20 5 FFBDHM C[C@@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824723270 608183349 /nfs/dbraw/zinc/18/33/49/608183349.db2.gz ONHALDJGIMQDRH-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824723270 608183350 /nfs/dbraw/zinc/18/33/50/608183350.db2.gz ONHALDJGIMQDRH-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccccc1-n1ccnc1 ZINC000826497519 608383360 /nfs/dbraw/zinc/38/33/60/608383360.db2.gz JXHPPBVTJRBTKS-UHFFFAOYSA-N -1 3 362.353 2.573 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000824507738 608478496 /nfs/dbraw/zinc/47/84/96/608478496.db2.gz YBHIPUOKPRADLP-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824507738 608478498 /nfs/dbraw/zinc/47/84/98/608478498.db2.gz YBHIPUOKPRADLP-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM CCOc1cccc([C@@H]2C[C@@H]2Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000825649794 608589253 /nfs/dbraw/zinc/58/92/53/608589253.db2.gz YEVYHBKCISULEE-ZFWWWQNUSA-N -1 3 367.369 2.537 20 5 FFBDHM CCOc1cccc([C@@H]2C[C@@H]2Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000825649794 608589254 /nfs/dbraw/zinc/58/92/54/608589254.db2.gz YEVYHBKCISULEE-ZFWWWQNUSA-N -1 3 367.369 2.537 20 5 FFBDHM Cc1nnc(SCc2cccc([N+](=O)[O-])c2C)c(-c2nnn[n-]2)c1C ZINC000826337694 609307649 /nfs/dbraw/zinc/30/76/49/609307649.db2.gz XPVHNEAIOXNOGG-UHFFFAOYSA-N -1 3 357.399 2.782 20 5 FFBDHM Cc1nnc(SCc2cccc([N+](=O)[O-])c2C)c(-c2nn[n-]n2)c1C ZINC000826337694 609307651 /nfs/dbraw/zinc/30/76/51/609307651.db2.gz XPVHNEAIOXNOGG-UHFFFAOYSA-N -1 3 357.399 2.782 20 5 FFBDHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1F ZINC000824962162 609319419 /nfs/dbraw/zinc/31/94/19/609319419.db2.gz PKFWLEMKFKNFAH-ZANVPECISA-N -1 3 357.349 2.507 20 5 FFBDHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@@H]1F ZINC000824962162 609319421 /nfs/dbraw/zinc/31/94/21/609319421.db2.gz PKFWLEMKFKNFAH-ZANVPECISA-N -1 3 357.349 2.507 20 5 FFBDHM C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824670476 609437247 /nfs/dbraw/zinc/43/72/47/609437247.db2.gz PPLAXOGRLMFDMN-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824670476 609437248 /nfs/dbraw/zinc/43/72/48/609437248.db2.gz PPLAXOGRLMFDMN-SNVBAGLBSA-N -1 3 362.353 2.891 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000826500632 609608019 /nfs/dbraw/zinc/60/80/19/609608019.db2.gz GDNBVVMNSZAZIM-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000826500632 609608020 /nfs/dbraw/zinc/60/80/20/609608020.db2.gz GDNBVVMNSZAZIM-UHFFFAOYSA-N -1 3 365.275 2.801 20 5 FFBDHM Cc1ccccc1[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119479433 728595153 /nfs/dbraw/zinc/59/51/53/728595153.db2.gz UDCZBPJQOUPZHY-AWEZNQCLSA-N -1 3 370.814 2.569 20 5 FFBDHM CC1CC(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000856756657 730355315 /nfs/dbraw/zinc/35/53/15/730355315.db2.gz AGBSUZAUQHPSQM-UHFFFAOYSA-N -1 3 363.233 2.682 20 5 FFBDHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000731915958 734705507 /nfs/dbraw/zinc/70/55/07/734705507.db2.gz OWBIKKIOTQDTMX-MRVPVSSYSA-N -1 3 365.729 2.533 20 5 FFBDHM O=C([O-])C1(C(F)(F)F)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903922216 736188791 /nfs/dbraw/zinc/18/87/91/736188791.db2.gz ZQMTUVHXRXBINS-UHFFFAOYSA-N -1 3 362.304 2.703 20 5 FFBDHM O=C([O-])[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1C1CC1 ZINC000923530539 738298311 /nfs/dbraw/zinc/29/83/11/738298311.db2.gz FPSRRYSYFUACJK-QWHCGFSZSA-N -1 3 369.215 2.900 20 5 FFBDHM O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1)c1ccsc1 ZINC000796139151 740106491 /nfs/dbraw/zinc/10/64/91/740106491.db2.gz AKOWIDSCBOOYHZ-UHFFFAOYSA-N -1 3 358.335 2.851 20 5 FFBDHM COC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])[n-]1 ZINC000845877101 748342568 /nfs/dbraw/zinc/34/25/68/748342568.db2.gz DRZQGTXCEJXPNG-YMTOWFKASA-N -1 3 350.302 2.504 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC[C@@]2(C)C[C@@]2(F)Cl)cc1[N+](=O)[O-] ZINC000845977014 748368623 /nfs/dbraw/zinc/36/86/23/748368623.db2.gz TXXPPHPLBIIZFE-QWRGUYRKSA-N -1 3 356.828 2.948 20 5 FFBDHM Cc1ccc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)nc1C ZINC000848592661 748969188 /nfs/dbraw/zinc/96/91/88/748969188.db2.gz WVGUHBAVOXCJSG-UHFFFAOYSA-N -1 3 351.309 2.895 20 5 FFBDHM CC(C)(C)CN(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852739766 749941119 /nfs/dbraw/zinc/94/11/19/749941119.db2.gz GCQVMJJYCXSZPH-UHFFFAOYSA-N -1 3 357.794 2.619 20 5 FFBDHM CCCCCCNC(=O)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853244437 750037059 /nfs/dbraw/zinc/03/70/59/750037059.db2.gz MLIAZEDXALPWFL-CYBMUJFWSA-N -1 3 350.419 2.608 20 5 FFBDHM CC(C)(C)OC(=O)N1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853251244 750038083 /nfs/dbraw/zinc/03/80/83/750038083.db2.gz QINDENCFUFMUSE-LLVKDONJSA-N -1 3 352.391 2.754 20 5 FFBDHM CC(C)(C)OC(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853510607 750078634 /nfs/dbraw/zinc/07/86/34/750078634.db2.gz DKOMFSNNWPCJBC-UHFFFAOYSA-N -1 3 352.391 2.579 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000056108815 845350830 /nfs/dbraw/zinc/35/08/30/845350830.db2.gz FDVHNIQUXMNFGU-JTQLQIEISA-N -1 3 351.340 2.543 20 5 FFBDHM COc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2C)c([N+](=O)[O-])c1 ZINC000826211784 947621612 /nfs/dbraw/zinc/62/16/12/947621612.db2.gz URKWKUXYLDUDQG-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM O=C([O-])c1ccnc(NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000382097251 971557687 /nfs/dbraw/zinc/55/76/87/971557687.db2.gz IOGMNYHTIFCZRS-UHFFFAOYSA-N -1 3 356.382 2.765 20 5 FFBDHM Nc1ccc(S(=O)(=O)[N-]c2ccc(/C=C/[N+](=O)[O-])cc2)cc1Cl ZINC001175902810 1013586286 /nfs/dbraw/zinc/58/62/86/1013586286.db2.gz TYHKELDYMJBXPF-BQYQJAHWSA-N -1 3 353.787 2.970 20 5 FFBDHM CN1CCN(Cc2cccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2)CC1 ZINC001176679454 1013751088 /nfs/dbraw/zinc/75/10/88/1013751088.db2.gz KMEYEUAALJMFHT-UHFFFAOYSA-N -1 3 370.409 2.784 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c(F)cc1[N+](=O)[O-] ZINC001211901765 974282384 /nfs/dbraw/zinc/28/23/84/974282384.db2.gz FWLPPMOKFZBGTR-UHFFFAOYSA-N -1 3 367.402 2.693 20 5 FFBDHM O=C(Nc1nc(COc2ccccc2)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001169199433 1000030288 /nfs/dbraw/zinc/03/02/88/1000030288.db2.gz PKIPGSYGROERRA-UHFFFAOYSA-N -1 3 372.362 2.983 20 5 FFBDHM CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC001129610083 1003720337 /nfs/dbraw/zinc/72/03/37/1003720337.db2.gz DOMZHXMRWQPBPZ-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC001129610083 1003720343 /nfs/dbraw/zinc/72/03/43/1003720343.db2.gz DOMZHXMRWQPBPZ-UHFFFAOYSA-N -1 3 372.316 2.565 20 5 FFBDHM NC(=O)c1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)ccc1[N+](=O)[O-] ZINC001134358037 1006280771 /nfs/dbraw/zinc/28/07/71/1006280771.db2.gz KGMTWTJVXMNIOV-UHFFFAOYSA-N -1 3 357.219 2.502 20 5 FFBDHM COC(=O)c1cc(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c[n-]1 ZINC000814531596 1006323297 /nfs/dbraw/zinc/32/32/97/1006323297.db2.gz JWXJPIRBCZPUNP-UHFFFAOYSA-N -1 3 371.305 2.722 20 5 FFBDHM Cc1cc(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)cc(C)n1 ZINC001212838460 1009484146 /nfs/dbraw/zinc/48/41/46/1009484146.db2.gz SHUGWBMVAQCDTN-UHFFFAOYSA-N -1 3 365.147 2.809 20 5 FFBDHM Cc1cc(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)cc(C)n1 ZINC001212838460 1009484153 /nfs/dbraw/zinc/48/41/53/1009484153.db2.gz SHUGWBMVAQCDTN-UHFFFAOYSA-N -1 3 365.147 2.809 20 5 FFBDHM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nnc2ccccn21 ZINC000777914941 1020060369 /nfs/dbraw/zinc/06/03/69/1020060369.db2.gz GKEGVHOSVPMTLU-JTQLQIEISA-N -1 3 361.308 2.607 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001118382197 1022205559 /nfs/dbraw/zinc/20/55/59/1022205559.db2.gz VOLUEERNAVLVOH-GRYCIOLGSA-N -1 3 360.382 2.924 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1C ZINC001118440600 1022234838 /nfs/dbraw/zinc/23/48/38/1022234838.db2.gz JRDXEVVLRPSNTP-GRYCIOLGSA-N -1 3 360.382 2.924 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1C ZINC001118440605 1022235471 /nfs/dbraw/zinc/23/54/71/1022235471.db2.gz JRDXEVVLRPSNTP-UTUOFQBUSA-N -1 3 360.382 2.924 20 5 FFBDHM CCNc1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000837336915 1025732526 /nfs/dbraw/zinc/73/25/26/1025732526.db2.gz BUJHIVFPCPMQKJ-UHFFFAOYSA-N -1 3 358.354 2.757 20 5 FFBDHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001141302105 1025813162 /nfs/dbraw/zinc/81/31/62/1025813162.db2.gz PBZOAADJXMNTKA-UHFFFAOYSA-N -1 3 364.321 2.615 20 5 FFBDHM COc1ccccc1CO[N-]C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001156008230 1029009291 /nfs/dbraw/zinc/00/92/91/1029009291.db2.gz DRJMFWHEQOBNAH-UHFFFAOYSA-N -1 3 358.350 2.814 20 5 FFBDHM CS(=O)(=O)C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1Cl ZINC001225667086 1034360077 /nfs/dbraw/zinc/36/00/77/1034360077.db2.gz PBMPCVXTDYPVEL-GFCCVEGCSA-N -1 3 372.786 2.514 20 5 FFBDHM O=c1cc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)[n-]c(C(F)(F)F)c1 ZINC001227582705 1035618595 /nfs/dbraw/zinc/61/85/95/1035618595.db2.gz DCVBYKHSXFEQGE-GFCCVEGCSA-N -1 3 372.255 2.932 20 5 FFBDHM COc1cc(OC2CC3(COC3)C2)c2c(c1)oc1c([O-])ccc(O)c1c2=O ZINC001227646276 1035653512 /nfs/dbraw/zinc/65/35/12/1035653512.db2.gz OYJWQDNOGLNHQO-UHFFFAOYSA-N -1 3 370.357 2.924 20 5 FFBDHM COc1cc(OC2CN(C(C)C)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001227647491 1035655475 /nfs/dbraw/zinc/65/54/75/1035655475.db2.gz ZCNHJIPJLNOXGW-UHFFFAOYSA-N -1 3 371.389 2.837 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690377 1037143188 /nfs/dbraw/zinc/14/31/88/1037143188.db2.gz BCWONGLPPFOLEF-LLVKDONJSA-N -1 3 355.354 2.730 20 5 FFBDHM COCCS(=O)(=O)[N-]c1cc2nc3cc(N(C)C)ccc3nc2cc1C ZINC001259971864 1040322846 /nfs/dbraw/zinc/32/28/46/1040322846.db2.gz RTCJRAIUUVZHGM-UHFFFAOYSA-N -1 3 374.466 2.546 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC001213229230 1040352801 /nfs/dbraw/zinc/35/28/01/1040352801.db2.gz ZAMPAKFJJKWWLD-CYBMUJFWSA-N -1 3 362.835 2.732 20 5 FFBDHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001213247004 1040371344 /nfs/dbraw/zinc/37/13/44/1040371344.db2.gz ISVCJTKOSHYTMJ-MEBBXXQBSA-N -1 3 370.814 2.649 20 5 FFBDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cc([O-])cc(Br)c1 ZINC001291595593 1048739973 /nfs/dbraw/zinc/73/99/73/1048739973.db2.gz IWHMOROBGHKSJD-UHFFFAOYSA-N -1 3 351.156 2.993 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC001329647753 1048828110 /nfs/dbraw/zinc/82/81/10/1048828110.db2.gz SJBMGBBSRYHPRM-SECBINFHSA-N -1 3 370.456 2.783 20 5 FFBDHM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001296584941 1050073077 /nfs/dbraw/zinc/07/30/77/1050073077.db2.gz KTWXVHFNJVVBON-UHFFFAOYSA-N -1 3 354.366 2.633 20 5 FFBDHM O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001307276995 1052277931 /nfs/dbraw/zinc/27/79/31/1052277931.db2.gz FVDMCUQRAJOCRJ-UHFFFAOYSA-N -1 3 364.317 2.714 20 5 FFBDHM O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000902554050 1052373900 /nfs/dbraw/zinc/37/39/00/1052373900.db2.gz MYMYMNQCEAZUHJ-RVKKMQEKSA-N -1 3 359.426 2.738 20 5 FFBDHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001475223486 1061006369 /nfs/dbraw/zinc/00/63/69/1061006369.db2.gz FPDSKPYHAWETFK-UHFFFAOYSA-N -1 3 372.349 2.669 20 5 FFBDHM COC(=O)[C@H]1Cc2ccccc2N(Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C1 ZINC001462607894 1061689973 /nfs/dbraw/zinc/68/99/73/1061689973.db2.gz CXMAXNLPRFCFKV-AWEZNQCLSA-N -1 3 372.377 2.661 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2)c([N+](=O)[O-])s1 ZINC001462966946 1061870922 /nfs/dbraw/zinc/87/09/22/1061870922.db2.gz NCRAYNWTUJBITL-JTQLQIEISA-N -1 3 356.425 2.711 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001463986970 1062365598 /nfs/dbraw/zinc/36/55/98/1062365598.db2.gz SMODLZLSAGUPPW-ZBFHGGJFSA-N -1 3 372.418 2.668 20 5 FFBDHM C[C@H](Cc1cccnc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001464782057 1062819997 /nfs/dbraw/zinc/81/99/97/1062819997.db2.gz LQAUEBKMPMDYCV-SNVBAGLBSA-N -1 3 355.803 2.553 20 5 FFBDHM C[C@@H](CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001575116517 1078108274 /nfs/dbraw/zinc/10/82/74/1078108274.db2.gz DEJLPEMVOQNUFW-JTQLQIEISA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@@H](CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001575116517 1078108275 /nfs/dbraw/zinc/10/82/75/1078108275.db2.gz DEJLPEMVOQNUFW-JTQLQIEISA-N -1 3 369.341 2.899 20 5 FFBDHM C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001575415059 1078138305 /nfs/dbraw/zinc/13/83/05/1078138305.db2.gz CGJIXGZAXUDPDM-MRVPVSSYSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC001575415059 1078138311 /nfs/dbraw/zinc/13/83/11/1078138311.db2.gz CGJIXGZAXUDPDM-MRVPVSSYSA-N -1 3 366.341 2.530 20 5 FFBDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001575486641 1078145143 /nfs/dbraw/zinc/14/51/43/1078145143.db2.gz SEKHMURTJBAMQZ-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001575486641 1078145146 /nfs/dbraw/zinc/14/51/46/1078145146.db2.gz SEKHMURTJBAMQZ-SECBINFHSA-N -1 3 357.301 2.832 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])s1 ZINC001474993138 1065665993 /nfs/dbraw/zinc/66/59/93/1065665993.db2.gz KDOHQLHFHYXTMG-NOZJJQNGSA-N -1 3 374.415 2.504 20 5 FFBDHM CN(c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001579266348 1078606118 /nfs/dbraw/zinc/60/61/18/1078606118.db2.gz IXJHLWGRKQMHJN-CQSZACIVSA-N -1 3 350.382 2.769 20 5 FFBDHM CN(c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC001579266348 1078606120 /nfs/dbraw/zinc/60/61/20/1078606120.db2.gz IXJHLWGRKQMHJN-CQSZACIVSA-N -1 3 350.382 2.769 20 5 FFBDHM CON(Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@H](C)C1 ZINC001579847233 1078697184 /nfs/dbraw/zinc/69/71/84/1078697184.db2.gz DZHQKAWRCWASMK-QWHCGFSZSA-N -1 3 360.418 2.965 20 5 FFBDHM CON(Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])C[C@@H]1CCC[C@H](C)C1 ZINC001579847233 1078697190 /nfs/dbraw/zinc/69/71/90/1078697190.db2.gz DZHQKAWRCWASMK-QWHCGFSZSA-N -1 3 360.418 2.965 20 5 FFBDHM COc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001580062256 1078742359 /nfs/dbraw/zinc/74/23/59/1078742359.db2.gz ZLLJAZDGIYYGDY-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001580062256 1078742365 /nfs/dbraw/zinc/74/23/65/1078742365.db2.gz ZLLJAZDGIYYGDY-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM CSc1cccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC001580234949 1078771067 /nfs/dbraw/zinc/77/10/67/1078771067.db2.gz JBMUBLMUFRLVTF-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CSc1cccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC001580234949 1078771072 /nfs/dbraw/zinc/77/10/72/1078771072.db2.gz JBMUBLMUFRLVTF-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001580306857 1078784689 /nfs/dbraw/zinc/78/46/89/1078784689.db2.gz FOHYIWDJQROQNY-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001580306857 1078784693 /nfs/dbraw/zinc/78/46/93/1078784693.db2.gz FOHYIWDJQROQNY-SNVBAGLBSA-N -1 3 353.342 2.658 20 5 FFBDHM Cc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(C)c1-c1nnn[n-]1 ZINC001580810725 1078868790 /nfs/dbraw/zinc/86/87/90/1078868790.db2.gz STORGTHLLNPHHI-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM Cc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc(C)c1-c1nn[n-]n1 ZINC001580810725 1078868796 /nfs/dbraw/zinc/86/87/96/1078868796.db2.gz STORGTHLLNPHHI-UHFFFAOYSA-N -1 3 364.365 2.595 20 5 FFBDHM Cc1cc(Cl)c(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001580929388 1078893819 /nfs/dbraw/zinc/89/38/19/1078893819.db2.gz MXJPIARACOYUMC-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1cc(Cl)c(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001580929388 1078893823 /nfs/dbraw/zinc/89/38/23/1078893823.db2.gz MXJPIARACOYUMC-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001582687186 1079097915 /nfs/dbraw/zinc/09/79/15/1079097915.db2.gz UKZXYUNLPXGOLW-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001582687186 1079097922 /nfs/dbraw/zinc/09/79/22/1079097922.db2.gz UKZXYUNLPXGOLW-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM C[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001558572698 1076036647 /nfs/dbraw/zinc/03/66/47/1076036647.db2.gz IQCRFZCZDKKAQK-HTQZYQBOSA-N -1 3 357.292 2.713 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC001561314114 1076360795 /nfs/dbraw/zinc/36/07/95/1076360795.db2.gz SBAOOMLTENETCN-BLLLJJGKSA-N -1 3 374.434 2.772 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)C)c(F)cc1[N+](=O)[O-] ZINC001561314115 1076361131 /nfs/dbraw/zinc/36/11/31/1076361131.db2.gz SBAOOMLTENETCN-LRDDRELGSA-N -1 3 374.434 2.772 20 5 FFBDHM CCc1cccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001561708247 1076410800 /nfs/dbraw/zinc/41/08/00/1076410800.db2.gz UIIPMZXKQWMOFU-UHFFFAOYSA-N -1 3 350.396 2.644 20 5 FFBDHM CC1(C)C[C@]1(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC001561776658 1076421022 /nfs/dbraw/zinc/42/10/22/1076421022.db2.gz FDZLVSIKQWWYCL-KRWDZBQOSA-N -1 3 361.423 2.636 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1ccccc1F ZINC001573902334 1077841054 /nfs/dbraw/zinc/84/10/54/1077841054.db2.gz QAVMFTKAOJGVIN-UHFFFAOYSA-N -1 3 371.376 2.886 20 5 FFBDHM CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1ccccc1F ZINC001573902334 1077841058 /nfs/dbraw/zinc/84/10/58/1077841058.db2.gz QAVMFTKAOJGVIN-UHFFFAOYSA-N -1 3 371.376 2.886 20 5 FFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588902022 1080250493 /nfs/dbraw/zinc/25/04/93/1080250493.db2.gz OHHLXSVYWRASKK-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588902022 1080250501 /nfs/dbraw/zinc/25/05/01/1080250501.db2.gz OHHLXSVYWRASKK-UHFFFAOYSA-N -1 3 352.354 2.614 20 5 FFBDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCc2ccccc2[N+](=O)[O-])c1 ZINC001588908813 1080258124 /nfs/dbraw/zinc/25/81/24/1080258124.db2.gz YPKAWYOKOWDXBU-UHFFFAOYSA-N -1 3 352.354 2.632 20 5 FFBDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCc2ccccc2[N+](=O)[O-])c1 ZINC001588908813 1080258137 /nfs/dbraw/zinc/25/81/37/1080258137.db2.gz YPKAWYOKOWDXBU-UHFFFAOYSA-N -1 3 352.354 2.632 20 5 FFBDHM CC(C)N(C)c1cccc(Nc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001589678558 1080665405 /nfs/dbraw/zinc/66/54/05/1080665405.db2.gz NALAXMBTHWOGKC-UHFFFAOYSA-N -1 3 354.374 2.758 20 5 FFBDHM CC(C)N(C)c1cccc(Nc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001589678558 1080665407 /nfs/dbraw/zinc/66/54/07/1080665407.db2.gz NALAXMBTHWOGKC-UHFFFAOYSA-N -1 3 354.374 2.758 20 5 FFBDHM CC(C)OC1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001589738604 1080695872 /nfs/dbraw/zinc/69/58/72/1080695872.db2.gz YPAUSSWWFBHMHF-UHFFFAOYSA-N -1 3 350.354 2.674 20 5 FFBDHM CC(C)OC1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001589738604 1080695876 /nfs/dbraw/zinc/69/58/76/1080695876.db2.gz YPAUSSWWFBHMHF-UHFFFAOYSA-N -1 3 350.354 2.674 20 5 FFBDHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001589937670 1080881247 /nfs/dbraw/zinc/88/12/47/1080881247.db2.gz VJGVLUSQFMIRBM-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC001589937670 1080881251 /nfs/dbraw/zinc/88/12/51/1080881251.db2.gz VJGVLUSQFMIRBM-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC001589978268 1080917119 /nfs/dbraw/zinc/91/71/19/1080917119.db2.gz LDUTWKJITOPSHA-VIFPVBQESA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC001589978268 1080917121 /nfs/dbraw/zinc/91/71/21/1080917121.db2.gz LDUTWKJITOPSHA-VIFPVBQESA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@@H](O)CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589999522 1080928541 /nfs/dbraw/zinc/92/85/41/1080928541.db2.gz UCKBHORWENPERB-GFCCVEGCSA-N -1 3 369.381 2.667 20 5 FFBDHM C[C@@H](O)CCc1ccc(OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589999522 1080928543 /nfs/dbraw/zinc/92/85/43/1080928543.db2.gz UCKBHORWENPERB-GFCCVEGCSA-N -1 3 369.381 2.667 20 5 FFBDHM C[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1C ZINC001590261252 1081129331 /nfs/dbraw/zinc/12/93/31/1081129331.db2.gz LBAFCMDGGOLWIK-GHMZBOCLSA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]1C ZINC001590261252 1081129333 /nfs/dbraw/zinc/12/93/33/1081129333.db2.gz LBAFCMDGGOLWIK-GHMZBOCLSA-N -1 3 353.386 2.948 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1CNCCc1nc(C)c(C(=O)[O-])s1 ZINC000276986607 256149159 /nfs/dbraw/zinc/14/91/59/256149159.db2.gz JGCSNLHILRZKHW-UHFFFAOYSA-N -1 3 365.411 2.789 20 5 FFBDHM COc1cc(CNC[C@@]2(C)OCCc3sccc32)c([N+](=O)[O-])cc1[O-] ZINC000289864851 257303623 /nfs/dbraw/zinc/30/36/23/257303623.db2.gz QPSQJPHNJTWEPE-QGZVFWFLSA-N -1 3 364.423 2.948 20 5 FFBDHM Cn1nc([N-]c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])cc1C1CC1 ZINC000291086380 257380852 /nfs/dbraw/zinc/38/08/52/257380852.db2.gz ITQSVXCHLJISIP-UHFFFAOYSA-N -1 3 372.353 2.946 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cnc1[N-]c1cnn(C[C@H]2CCCO2)c1 ZINC000301680655 258062574 /nfs/dbraw/zinc/06/25/74/258062574.db2.gz JOINQXAPIHZAEO-LLVKDONJSA-N -1 3 368.191 2.871 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000330838841 258171639 /nfs/dbraw/zinc/17/16/39/258171639.db2.gz LRFQEDWLFMBBKB-ZYHUDNBSSA-N -1 3 360.457 2.556 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](SC)C1 ZINC000330838836 258171812 /nfs/dbraw/zinc/17/18/12/258171812.db2.gz LRFQEDWLFMBBKB-JQWIXIFHSA-N -1 3 360.457 2.556 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000331105118 258177221 /nfs/dbraw/zinc/17/72/21/258177221.db2.gz QJSIGIYVLZEVNQ-HUUCEWRRSA-N -1 3 370.471 2.821 20 5 FFBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000156800862 508479801 /nfs/dbraw/zinc/47/98/01/508479801.db2.gz FVJGHUOAPOAPIP-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)nc1C ZINC000054922266 506647446 /nfs/dbraw/zinc/64/74/46/506647446.db2.gz HLTCKWDDLLBCGG-UHFFFAOYSA-N -1 3 353.331 2.928 20 5 FFBDHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000056098832 506933636 /nfs/dbraw/zinc/93/36/36/506933636.db2.gz LVTHSBORXIFEKY-JTQLQIEISA-N -1 3 354.359 2.782 20 5 FFBDHM O=C(NCCNc1ccc([N+](=O)[O-])c2cnccc12)c1ccc([O-])cc1 ZINC000047537998 507353220 /nfs/dbraw/zinc/35/32/20/507353220.db2.gz PYRWZSRFPVBYCY-UHFFFAOYSA-N -1 3 352.350 2.691 20 5 FFBDHM O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000024448179 507411983 /nfs/dbraw/zinc/41/19/83/507411983.db2.gz RUMYWKSJSLUHBN-UHFFFAOYSA-N -1 3 369.312 2.747 20 5 FFBDHM O=C(Nc1cccc(N2CCCC2=O)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000028064389 507706949 /nfs/dbraw/zinc/70/69/49/507706949.db2.gz DTUNFDNNLYBGBC-UHFFFAOYSA-N -1 3 365.349 2.850 20 5 FFBDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000064343038 507791478 /nfs/dbraw/zinc/79/14/78/507791478.db2.gz PJQOMZZSFHFQMB-UHFFFAOYSA-N -1 3 350.334 2.906 20 5 FFBDHM COCc1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1F ZINC000107702712 507863967 /nfs/dbraw/zinc/86/39/67/507863967.db2.gz PYPITTNPZWXTMH-UHFFFAOYSA-N -1 3 368.386 2.667 20 5 FFBDHM Cc1c(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cccc1[N+](=O)[O-] ZINC000081011541 508124972 /nfs/dbraw/zinc/12/49/72/508124972.db2.gz KWALLFNRURTLOT-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM COc1cc(F)cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000093931767 508161901 /nfs/dbraw/zinc/16/19/01/508161901.db2.gz BHXZZMOAYXMLKH-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCc2nccs2)cc1[N+](=O)[O-] ZINC000083988437 508261955 /nfs/dbraw/zinc/26/19/55/508261955.db2.gz SQKNNSBCSFQSTG-UHFFFAOYSA-N -1 3 361.832 2.534 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C)c([N+](=O)[O-])c1 ZINC000077400715 508311254 /nfs/dbraw/zinc/31/12/54/508311254.db2.gz NVIQOYCETSMOLL-LSDHHAIUSA-N -1 3 362.407 2.746 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000156716906 508467076 /nfs/dbraw/zinc/46/70/76/508467076.db2.gz OVFQTCWYPCIVNX-BBRMVZONSA-N -1 3 355.394 2.551 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000153332272 508572821 /nfs/dbraw/zinc/57/28/21/508572821.db2.gz VFPZJQDLKIDVKS-CYBMUJFWSA-N -1 3 355.441 2.930 20 5 FFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nnc(-c2ccco2)[n-]1 ZINC000128479215 508598589 /nfs/dbraw/zinc/59/85/89/508598589.db2.gz DJOICGPRIYHKNH-UHFFFAOYSA-N -1 3 352.310 2.635 20 5 FFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(-c2ccco2)n[n-]1 ZINC000128479215 508598594 /nfs/dbraw/zinc/59/85/94/508598594.db2.gz DJOICGPRIYHKNH-UHFFFAOYSA-N -1 3 352.310 2.635 20 5 FFBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1n[n-]c(-c2ccco2)n1 ZINC000128479215 508598600 /nfs/dbraw/zinc/59/86/00/508598600.db2.gz DJOICGPRIYHKNH-UHFFFAOYSA-N -1 3 352.310 2.635 20 5 FFBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000135516910 508616311 /nfs/dbraw/zinc/61/63/11/508616311.db2.gz ILWFXOXHOCNAKJ-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM CS[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000157887286 508627552 /nfs/dbraw/zinc/62/75/52/508627552.db2.gz UTDJSKODIBHCLH-SSDOTTSWSA-N -1 3 358.363 2.643 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc3c(C)nn(C)c3s2)cc([N+](=O)[O-])c1 ZINC000118723547 508666532 /nfs/dbraw/zinc/66/65/32/508666532.db2.gz GRRMVQVTUWFOJK-UHFFFAOYSA-N -1 3 374.378 2.890 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]C2(c3nccs3)CCCC2)c1 ZINC000153950749 508684703 /nfs/dbraw/zinc/68/47/03/508684703.db2.gz YYRXNYLAQAULIH-UHFFFAOYSA-N -1 3 367.452 2.940 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1c(C)cccc1C ZINC000123554439 508705463 /nfs/dbraw/zinc/70/54/63/508705463.db2.gz VGOPWKVEAYLXAU-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC000154334406 508762443 /nfs/dbraw/zinc/76/24/43/508762443.db2.gz FKXQKKWBUWVKCN-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Br)cc2F)n1 ZINC000138482022 508774479 /nfs/dbraw/zinc/77/44/79/508774479.db2.gz AOCJCCSCWIZURN-UHFFFAOYSA-N -1 3 357.139 2.965 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCC2 ZINC000124605810 508857055 /nfs/dbraw/zinc/85/70/55/508857055.db2.gz BVJDJBQQVGRQMT-VXGBXAGGSA-N -1 3 360.457 2.591 20 5 FFBDHM CSc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1[N+](=O)[O-] ZINC000119906946 508887532 /nfs/dbraw/zinc/88/75/32/508887532.db2.gz QXAJUAPWRHKUMP-UHFFFAOYSA-N -1 3 358.383 2.693 20 5 FFBDHM CSc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1[N+](=O)[O-] ZINC000119906946 508887535 /nfs/dbraw/zinc/88/75/35/508887535.db2.gz QXAJUAPWRHKUMP-UHFFFAOYSA-N -1 3 358.383 2.693 20 5 FFBDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000125027966 508920892 /nfs/dbraw/zinc/92/08/92/508920892.db2.gz AMHICCAEYFAXEA-ONGXEEELSA-N -1 3 350.487 2.917 20 5 FFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cnn1-c1ccccc1F ZINC000120104247 508928647 /nfs/dbraw/zinc/92/86/47/508928647.db2.gz WJYQDBGYAJEUTE-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)cc1C ZINC000160163977 508948310 /nfs/dbraw/zinc/94/83/10/508948310.db2.gz KENLZDBDWAGEEQ-LBPRGKRZSA-N -1 3 350.396 2.957 20 5 FFBDHM Cn1cc(C(=O)NCc2ccc([O-])c(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000132821409 509079211 /nfs/dbraw/zinc/07/92/11/509079211.db2.gz YWHFXNBJTOWBRZ-UHFFFAOYSA-N -1 3 370.340 2.770 20 5 FFBDHM CSc1nsc([N-]C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 ZINC000133453214 509161557 /nfs/dbraw/zinc/16/15/57/509161557.db2.gz UTUMZYSOEIXISB-UHFFFAOYSA-N -1 3 362.396 2.606 20 5 FFBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1[N+](=O)[O-] ZINC000191798498 509185809 /nfs/dbraw/zinc/18/58/09/509185809.db2.gz XJJWBPAHBRLZDH-UHFFFAOYSA-N -1 3 354.359 2.644 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1ncc(C)s1 ZINC000175888414 509201045 /nfs/dbraw/zinc/20/10/45/509201045.db2.gz DHBIARUBBRHDIG-UHFFFAOYSA-N -1 3 371.440 2.582 20 5 FFBDHM O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185707656 509315249 /nfs/dbraw/zinc/31/52/49/509315249.db2.gz PWGOPLQOWNJSCI-UHFFFAOYSA-N -1 3 369.421 2.737 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O)c1 ZINC000182808378 509435631 /nfs/dbraw/zinc/43/56/31/509435631.db2.gz LQIQVTVKQPKVST-JTQLQIEISA-N -1 3 364.851 2.632 20 5 FFBDHM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173609046 509672124 /nfs/dbraw/zinc/67/21/24/509672124.db2.gz KGMUWGGGLXJNTD-LLVKDONJSA-N -1 3 371.846 2.886 20 5 FFBDHM COc1ccc([N-]C(=O)c2nc(-c3cnn(C)c3)oc2C)c([N+](=O)[O-])c1 ZINC000176876769 509738664 /nfs/dbraw/zinc/73/86/64/509738664.db2.gz YKMRDJSBYBKHCI-UHFFFAOYSA-N -1 3 357.326 2.553 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000189991825 509870542 /nfs/dbraw/zinc/87/05/42/509870542.db2.gz NZUJLBFJDLVSRY-LBPRGKRZSA-N -1 3 350.396 2.957 20 5 FFBDHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193368927 509884642 /nfs/dbraw/zinc/88/46/42/509884642.db2.gz YEHMNFYFMRIRLP-UHFFFAOYSA-N -1 3 350.334 2.934 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ccsc2Cl)cc1[N+](=O)[O-] ZINC000186952140 509969711 /nfs/dbraw/zinc/96/97/11/509969711.db2.gz YNMHLMGPZXFEDP-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1[N+](=O)[O-] ZINC000187183786 510109549 /nfs/dbraw/zinc/10/95/49/510109549.db2.gz CMTQICFRHFEYLS-UHFFFAOYSA-N -1 3 358.322 2.991 20 5 FFBDHM Cc1cnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000266187764 510453278 /nfs/dbraw/zinc/45/32/78/510453278.db2.gz FKDXHRPSLTWFQS-UHFFFAOYSA-N -1 3 356.382 2.859 20 5 FFBDHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c1cccc2C(F)(F)F ZINC000188020473 510551999 /nfs/dbraw/zinc/55/19/99/510551999.db2.gz LETWFHCGHKJCRY-UHFFFAOYSA-N -1 3 353.256 2.917 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000195007451 510629706 /nfs/dbraw/zinc/62/97/06/510629706.db2.gz IKHHJGVVVGHQAL-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM CSc1cccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1[N+](=O)[O-] ZINC000188209566 510649488 /nfs/dbraw/zinc/64/94/88/510649488.db2.gz MWMWBKQQEPIBAP-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM CSc1cccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000188209566 510649492 /nfs/dbraw/zinc/64/94/92/510649492.db2.gz MWMWBKQQEPIBAP-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM Cn1cc2c(n1)CCC[C@H]2[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000282332397 510935212 /nfs/dbraw/zinc/93/52/12/510935212.db2.gz ABZZFRNKZWSFJB-CYBMUJFWSA-N -1 3 350.325 2.614 20 5 FFBDHM O=C([N-]CC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C(F)(F)F ZINC000282487794 510997816 /nfs/dbraw/zinc/99/78/16/510997816.db2.gz MFJXVTVHDQELNV-UHFFFAOYSA-N -1 3 363.311 2.624 20 5 FFBDHM O=C([N-]C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000291633617 511275832 /nfs/dbraw/zinc/27/58/32/511275832.db2.gz SPYMBJBMXGZFFJ-WXJAXGNASA-N -1 3 371.359 2.999 20 5 FFBDHM O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000312252138 511783632 /nfs/dbraw/zinc/78/36/32/511783632.db2.gz FQZAVIORFVLWGX-MRXNPFEDSA-N -1 3 369.421 2.942 20 5 FFBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000366058273 511814344 /nfs/dbraw/zinc/81/43/44/511814344.db2.gz IMHWOYHAUYYONX-UHFFFAOYSA-N -1 3 371.784 2.647 20 5 FFBDHM O=C(Nc1ccccc1C(=O)N1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274957964 511998694 /nfs/dbraw/zinc/99/86/94/511998694.db2.gz JYZFLFNNAKJDSS-UHFFFAOYSA-N -1 3 370.365 2.574 20 5 FFBDHM Cc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1C1CC1 ZINC000285126754 512009545 /nfs/dbraw/zinc/00/95/45/512009545.db2.gz HYTYOXIYXFBBGS-UHFFFAOYSA-N -1 3 366.175 2.844 20 5 FFBDHM O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275080857 512034872 /nfs/dbraw/zinc/03/48/72/512034872.db2.gz DQASXYXOQBLTLM-HOTGVXAUSA-N -1 3 373.365 2.630 20 5 FFBDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000367701311 512622946 /nfs/dbraw/zinc/62/29/46/512622946.db2.gz YYXIGCBBTAQJBV-ZFWWWQNUSA-N -1 3 355.394 2.693 20 5 FFBDHM CN(C[C@H]1CCN(Cc2ccccc2)C1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000383122934 512880416 /nfs/dbraw/zinc/88/04/16/512880416.db2.gz CPYLCSNTIMUVGS-OAHLLOKOSA-N -1 3 370.409 2.646 20 5 FFBDHM CCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CCC1 ZINC000391710963 512918008 /nfs/dbraw/zinc/91/80/08/512918008.db2.gz AKXKHCHWARFGFW-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000392816765 512928201 /nfs/dbraw/zinc/92/82/01/512928201.db2.gz YWAIUUQCWGQVLO-FZMZJTMJSA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CN1Cc1ccccc1 ZINC000398025902 512951627 /nfs/dbraw/zinc/95/16/27/512951627.db2.gz AJGGCMRIDIQFQY-UKRRQHHQSA-N -1 3 355.394 2.693 20 5 FFBDHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)OC ZINC000446931095 513363250 /nfs/dbraw/zinc/36/32/50/513363250.db2.gz ZARHODOTSZBUED-CQSZACIVSA-N -1 3 374.459 2.723 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2nnc(C(F)(F)F)[n-]2)c(C(F)(F)F)c1 ZINC000413225987 513532290 /nfs/dbraw/zinc/53/22/90/513532290.db2.gz HJJUMLTWWBBRKR-UHFFFAOYSA-N -1 3 356.186 2.758 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2n[n-]c(C(F)(F)F)n2)c(C(F)(F)F)c1 ZINC000413225987 513532296 /nfs/dbraw/zinc/53/22/96/513532296.db2.gz HJJUMLTWWBBRKR-UHFFFAOYSA-N -1 3 356.186 2.758 20 5 FFBDHM O=[N+]([O-])c1cnc(NCc2nc(C(F)(F)F)n[n-]2)c(C(F)(F)F)c1 ZINC000413225987 513532304 /nfs/dbraw/zinc/53/23/04/513532304.db2.gz HJJUMLTWWBBRKR-UHFFFAOYSA-N -1 3 356.186 2.758 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c([N+](=O)[O-])c1 ZINC000435226621 513538059 /nfs/dbraw/zinc/53/80/59/513538059.db2.gz PMBGITJFUSRAJI-FHLIZLRMSA-N -1 3 358.419 2.910 20 5 FFBDHM COC(=O)c1c([N-]C(=O)c2csc([N+](=O)[O-])c2)sc2c1CCOC2 ZINC000416088678 513567131 /nfs/dbraw/zinc/56/71/31/513567131.db2.gz CVHXWYGGHXOBCE-UHFFFAOYSA-N -1 3 368.392 2.829 20 5 FFBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000442785505 513780769 /nfs/dbraw/zinc/78/07/69/513780769.db2.gz UIAWUPXBOJPDJK-NEPJUHHUSA-N -1 3 370.427 2.613 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)CC(=O)c1ccccc1 ZINC000431071261 513818271 /nfs/dbraw/zinc/81/82/71/513818271.db2.gz UJEBOZDZOHVLFX-CYBMUJFWSA-N -1 3 362.407 2.843 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CC12CC2 ZINC000416651791 513889307 /nfs/dbraw/zinc/88/93/07/513889307.db2.gz RJNSGCWOJQPXLI-SECBINFHSA-N -1 3 350.318 2.692 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000416663232 513895461 /nfs/dbraw/zinc/89/54/61/513895461.db2.gz RJEDFYIGHUIUOL-GFCCVEGCSA-N -1 3 362.473 2.574 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436775815 513976399 /nfs/dbraw/zinc/97/63/99/513976399.db2.gz RRNCUQJEDDKGGZ-ZFWWWQNUSA-N -1 3 355.394 2.866 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000451819943 514003084 /nfs/dbraw/zinc/00/30/84/514003084.db2.gz XGAKCYZAAIJYDL-CABCVRRESA-N -1 3 370.471 2.941 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436974399 514058568 /nfs/dbraw/zinc/05/85/68/514058568.db2.gz YHOTUHDRBVCDQQ-KSSFIOAISA-N -1 3 369.421 2.941 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436974394 514058753 /nfs/dbraw/zinc/05/87/53/514058753.db2.gz YHOTUHDRBVCDQQ-KBXCAEBGSA-N -1 3 369.421 2.941 20 5 FFBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000437006279 514073916 /nfs/dbraw/zinc/07/39/16/514073916.db2.gz ZXSOUMXYTXBMCB-OAHLLOKOSA-N -1 3 373.340 2.683 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1cc2c(=O)[nH]cnc2cc1F ZINC000427121955 514122517 /nfs/dbraw/zinc/12/25/17/514122517.db2.gz NEJLJPPQMMFVHU-UHFFFAOYSA-N -1 3 358.285 2.644 20 5 FFBDHM C[C@]1(c2ccc(CNc3c(Cl)cccc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000432341466 514166608 /nfs/dbraw/zinc/16/66/08/514166608.db2.gz ABIDXRLCKIEDTP-QGZVFWFLSA-N -1 3 374.784 2.915 20 5 FFBDHM COC(=O)[C@H](CNc1nccc(C)c1[N+](=O)[O-])Cc1ccc([O-])c(F)c1 ZINC000420640304 514211618 /nfs/dbraw/zinc/21/16/18/514211618.db2.gz SVLHDIOREISRQJ-LBPRGKRZSA-N -1 3 363.345 2.587 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)[n-]c21 ZINC000438344755 514359034 /nfs/dbraw/zinc/35/90/34/514359034.db2.gz AZNDZQTZVNQIKX-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nc21 ZINC000438344755 514359044 /nfs/dbraw/zinc/35/90/44/514359044.db2.gz AZNDZQTZVNQIKX-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417618562 514441008 /nfs/dbraw/zinc/44/10/08/514441008.db2.gz DCOVZMUWVJVHSU-HNNXBMFYSA-N -1 3 359.382 2.552 20 5 FFBDHM O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445219143 514444811 /nfs/dbraw/zinc/44/48/11/514444811.db2.gz XIBDCRGHQWTRLU-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000439105772 514493701 /nfs/dbraw/zinc/49/37/01/514493701.db2.gz JZZBHXMQPXUJRX-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000439105772 514493704 /nfs/dbraw/zinc/49/37/04/514493704.db2.gz JZZBHXMQPXUJRX-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000439188758 514505170 /nfs/dbraw/zinc/50/51/70/514505170.db2.gz HFYLYVCPAMGPIN-SECBINFHSA-N -1 3 371.802 2.691 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C ZINC000445725253 514510509 /nfs/dbraw/zinc/51/05/09/514510509.db2.gz PGCBVFNUBSQNTC-JTQLQIEISA-N -1 3 370.349 2.859 20 5 FFBDHM CC(C)Oc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)ccn1 ZINC000470932782 514679849 /nfs/dbraw/zinc/67/98/49/514679849.db2.gz QDDICCOURNIPOQ-UHFFFAOYSA-N -1 3 367.365 2.841 20 5 FFBDHM CCCc1cnc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000455990600 514890077 /nfs/dbraw/zinc/89/00/77/514890077.db2.gz HZPMWMNUMOIONO-UHFFFAOYSA-N -1 3 369.424 2.660 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000467084932 514892625 /nfs/dbraw/zinc/89/26/25/514892625.db2.gz LTKBTXAIBFXBLW-UHOFOFEASA-N -1 3 364.448 2.971 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000462507609 515094364 /nfs/dbraw/zinc/09/43/64/515094364.db2.gz ZRQWZZIRAPJWOX-ZIAGYGMSSA-N -1 3 354.428 2.851 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)N2CCCCC2)c1C ZINC000480929348 515140264 /nfs/dbraw/zinc/14/02/64/515140264.db2.gz AIBZJTZDHLCWDS-UHFFFAOYSA-N -1 3 369.487 2.754 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c1C ZINC000480968919 515156211 /nfs/dbraw/zinc/15/62/11/515156211.db2.gz ZUVRFQPSSUUELZ-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c1[N+](=O)[O-] ZINC000481017200 515174824 /nfs/dbraw/zinc/17/48/24/515174824.db2.gz VHAANWFEROQKGP-CQSZACIVSA-N -1 3 362.407 2.883 20 5 FFBDHM Cc1noc(C)c1CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000499054044 515181204 /nfs/dbraw/zinc/18/12/04/515181204.db2.gz LNYAQODRMWLTRX-UHFFFAOYSA-N -1 3 355.354 2.583 20 5 FFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000462708207 515203850 /nfs/dbraw/zinc/20/38/50/515203850.db2.gz GPCNSVGYUWZVDW-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000462712379 515206868 /nfs/dbraw/zinc/20/68/68/515206868.db2.gz WKJGENQWQHOJLC-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000481224322 515253074 /nfs/dbraw/zinc/25/30/74/515253074.db2.gz UXVXWPUVHOEWEM-UHFFFAOYSA-N -1 3 352.387 2.953 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCCc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000509632050 515265759 /nfs/dbraw/zinc/26/57/59/515265759.db2.gz JMLJAPJWFUFYKC-UHFFFAOYSA-N -1 3 355.441 2.579 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000481263630 515267628 /nfs/dbraw/zinc/26/76/28/515267628.db2.gz XKPBRSBDYGVYMD-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM COc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)[n-]1 ZINC000490710853 515286771 /nfs/dbraw/zinc/28/67/71/515286771.db2.gz PJNQKUBFZCJWMJ-UHFFFAOYSA-N -1 3 351.388 2.722 20 5 FFBDHM COc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[n-]1 ZINC000490710853 515286776 /nfs/dbraw/zinc/28/67/76/515286776.db2.gz PJNQKUBFZCJWMJ-UHFFFAOYSA-N -1 3 351.388 2.722 20 5 FFBDHM COc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n1 ZINC000490710853 515286782 /nfs/dbraw/zinc/28/67/82/515286782.db2.gz PJNQKUBFZCJWMJ-UHFFFAOYSA-N -1 3 351.388 2.722 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CC(C)(C)N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000509793321 515326921 /nfs/dbraw/zinc/32/69/21/515326921.db2.gz HTXYOWCEJMTAPE-CQSZACIVSA-N -1 3 369.487 2.692 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000509794681 515328392 /nfs/dbraw/zinc/32/83/92/515328392.db2.gz MIQDHXCARCVMPY-KGLIPLIRSA-N -1 3 350.371 2.877 20 5 FFBDHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000481510885 515354676 /nfs/dbraw/zinc/35/46/76/515354676.db2.gz RKDHWLCIQCSQCU-LLVKDONJSA-N -1 3 364.851 2.714 20 5 FFBDHM Cn1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)nc2ccc(F)cc21 ZINC000468657432 515456384 /nfs/dbraw/zinc/45/63/84/515456384.db2.gz FROVTVQNIDXQLY-UHFFFAOYSA-N -1 3 354.301 2.749 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000491593808 515457827 /nfs/dbraw/zinc/45/78/27/515457827.db2.gz JRZJGIPLZMRZQB-SRHKJQAYSA-N -1 3 358.391 2.600 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000491599512 515458901 /nfs/dbraw/zinc/45/89/01/515458901.db2.gz RPSJASROZIVWBE-QMMMGPOBSA-N -1 3 368.333 2.599 20 5 FFBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n[nH]1 ZINC000486654627 515581385 /nfs/dbraw/zinc/58/13/85/515581385.db2.gz SJMQTFQBAWBLRU-WDEREUQCSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]1 ZINC000486654627 515581395 /nfs/dbraw/zinc/58/13/95/515581395.db2.gz SJMQTFQBAWBLRU-WDEREUQCSA-N -1 3 367.431 2.574 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(C)(C)C ZINC000510566727 515588784 /nfs/dbraw/zinc/58/87/84/515588784.db2.gz UZKNGKMFPCBSEO-ZDUSSCGKSA-N -1 3 358.460 2.941 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000482222870 515613552 /nfs/dbraw/zinc/61/35/52/515613552.db2.gz TVLBNXHFVJSYDO-JTQLQIEISA-N -1 3 371.319 2.617 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482222870 515613562 /nfs/dbraw/zinc/61/35/62/515613562.db2.gz TVLBNXHFVJSYDO-JTQLQIEISA-N -1 3 371.319 2.617 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000482222870 515613573 /nfs/dbraw/zinc/61/35/73/515613573.db2.gz TVLBNXHFVJSYDO-JTQLQIEISA-N -1 3 371.319 2.617 20 5 FFBDHM CCOC(=O)CC(C)(C)CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000493308014 515619814 /nfs/dbraw/zinc/61/98/14/515619814.db2.gz XTPWTRPGPLSPKX-UHFFFAOYSA-N -1 3 374.397 2.715 20 5 FFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)c1F ZINC000478083602 515695616 /nfs/dbraw/zinc/69/56/16/515695616.db2.gz GVSFDCVEOFYASV-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM COc1ccc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000478154272 515718701 /nfs/dbraw/zinc/71/87/01/515718701.db2.gz UJEZNZAUYAUVDK-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM CCOc1cc(C(=O)Nc2cccc(OC)c2[O-])c([N+](=O)[O-])cc1OC ZINC000494121410 515739870 /nfs/dbraw/zinc/73/98/70/515739870.db2.gz ZFOXFALRKYBBMN-UHFFFAOYSA-N -1 3 362.338 2.969 20 5 FFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc3ccccn32)cc1SC ZINC000482750234 515791749 /nfs/dbraw/zinc/79/17/49/515791749.db2.gz HOWRWYDAJYFVKD-UHFFFAOYSA-N -1 3 359.367 2.620 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)ccc1[N+](=O)[O-] ZINC000511361106 515876426 /nfs/dbraw/zinc/87/64/26/515876426.db2.gz PVDQGGWIHONNDG-UHFFFAOYSA-N -1 3 352.334 2.914 20 5 FFBDHM O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000483714396 516185233 /nfs/dbraw/zinc/18/52/33/516185233.db2.gz WGDJFLOPEMAVBB-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@@H]1C ZINC000531213727 516352027 /nfs/dbraw/zinc/35/20/27/516352027.db2.gz KVXJGMOTQVQWRI-PRXAMGSTSA-N -1 3 362.407 2.826 20 5 FFBDHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000517869764 516474568 /nfs/dbraw/zinc/47/45/68/516474568.db2.gz NDWVYZDMELGSPO-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1cc2ccccn2[n-]1 ZINC000561333815 516527596 /nfs/dbraw/zinc/52/75/96/516527596.db2.gz PIADEPSFBBBSHK-JTQLQIEISA-N -1 3 360.757 2.724 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)cc1[N+](=O)[O-] ZINC000536191689 516669325 /nfs/dbraw/zinc/66/93/25/516669325.db2.gz JWVDBPBXGUEWFR-UHFFFAOYSA-N -1 3 362.367 2.589 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000536191689 516669333 /nfs/dbraw/zinc/66/93/33/516669333.db2.gz JWVDBPBXGUEWFR-UHFFFAOYSA-N -1 3 362.367 2.589 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncn2Cc2ccccc2)c1 ZINC000554967356 516725293 /nfs/dbraw/zinc/72/52/93/516725293.db2.gz MUMGYOJJARWJIS-UHFFFAOYSA-N -1 3 367.365 2.886 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(F)cc1 ZINC000518994459 516846331 /nfs/dbraw/zinc/84/63/31/516846331.db2.gz LKVZLOOIIFJFRB-LLVKDONJSA-N -1 3 368.386 2.825 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000525183438 516948655 /nfs/dbraw/zinc/94/86/55/516948655.db2.gz NHZQFKLKCMSLBM-LLVKDONJSA-N -1 3 370.814 2.994 20 5 FFBDHM Cc1cc([N-]c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000541329267 516993207 /nfs/dbraw/zinc/99/32/07/516993207.db2.gz COQDBHQUFPKINB-LLVKDONJSA-N -1 3 364.427 2.640 20 5 FFBDHM COc1cc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc(OC)c1[O-] ZINC000545139012 517066154 /nfs/dbraw/zinc/06/61/54/517066154.db2.gz MLIIXXJIQCXDJZ-UHFFFAOYSA-N -1 3 358.350 2.516 20 5 FFBDHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000537183897 517072229 /nfs/dbraw/zinc/07/22/29/517072229.db2.gz SJBNXZFMHPAZAY-GJZGRUSLSA-N -1 3 362.407 2.828 20 5 FFBDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548696196 517149974 /nfs/dbraw/zinc/14/99/74/517149974.db2.gz KHUCHVQZFJFDJX-UHFFFAOYSA-N -1 3 371.440 2.527 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000515757086 517467041 /nfs/dbraw/zinc/46/70/41/517467041.db2.gz QCTPPNMMHLCURD-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1cccc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000549561662 517619757 /nfs/dbraw/zinc/61/97/57/517619757.db2.gz YFAIPQWJRRUXOX-UHFFFAOYSA-N -1 3 371.365 2.572 20 5 FFBDHM Cc1cncc(CCC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000553405218 517695303 /nfs/dbraw/zinc/69/53/03/517695303.db2.gz FUHPHPPTHLBYCI-UHFFFAOYSA-N -1 3 351.366 2.682 20 5 FFBDHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000553560775 517784358 /nfs/dbraw/zinc/78/43/58/517784358.db2.gz USOARWBUJSMWAU-NSHDSACASA-N -1 3 363.233 2.824 20 5 FFBDHM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000534242054 517801815 /nfs/dbraw/zinc/80/18/15/517801815.db2.gz YVDGVMINNWGCKR-QMMMGPOBSA-N -1 3 373.822 2.529 20 5 FFBDHM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000534242054 517801823 /nfs/dbraw/zinc/80/18/23/517801823.db2.gz YVDGVMINNWGCKR-QMMMGPOBSA-N -1 3 373.822 2.529 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000521664923 517817454 /nfs/dbraw/zinc/81/74/54/517817454.db2.gz CSSCNNSWUZFOFE-CQSZACIVSA-N -1 3 366.370 2.708 20 5 FFBDHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000521769822 517850293 /nfs/dbraw/zinc/85/02/93/517850293.db2.gz DEHOPSBDGQFOBW-LBPRGKRZSA-N -1 3 373.450 2.523 20 5 FFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(CCc3ccccc3)CC2)n1 ZINC000516972434 517952532 /nfs/dbraw/zinc/95/25/32/517952532.db2.gz AHKPTXGAFNUSED-UHFFFAOYSA-N -1 3 370.409 2.807 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000530968098 518074501 /nfs/dbraw/zinc/07/45/01/518074501.db2.gz ZPTKPQMFQSHXHD-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000539763890 518155497 /nfs/dbraw/zinc/15/54/97/518155497.db2.gz BVZGFCDJBFBCTN-LBPRGKRZSA-N -1 3 362.835 2.873 20 5 FFBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000584500717 518369255 /nfs/dbraw/zinc/36/92/55/518369255.db2.gz UDORWBLFAVKZPU-QMMMGPOBSA-N -1 3 356.322 2.613 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)cc1C ZINC000576483861 518615359 /nfs/dbraw/zinc/61/53/59/518615359.db2.gz PGIDSXMUROMMBK-HNNXBMFYSA-N -1 3 370.471 2.679 20 5 FFBDHM O=C([O-])c1ccnc(N[C@@H](CN2CCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000565038699 518756427 /nfs/dbraw/zinc/75/64/27/518756427.db2.gz UPVUKYQVZLUVOQ-HNNXBMFYSA-N -1 3 356.382 2.937 20 5 FFBDHM CC(C)OCCN1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000565776086 519128370 /nfs/dbraw/zinc/12/83/70/519128370.db2.gz FUWGYMVFHMQWIC-UHFFFAOYSA-N -1 3 365.430 2.523 20 5 FFBDHM COc1cccc2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)[n-]nc21 ZINC000577542854 519132603 /nfs/dbraw/zinc/13/26/03/519132603.db2.gz MGXWUWJIAFCFKW-UHFFFAOYSA-N -1 3 352.310 2.608 20 5 FFBDHM COc1cccc2c(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)n[n-]c21 ZINC000577542854 519132609 /nfs/dbraw/zinc/13/26/09/519132609.db2.gz MGXWUWJIAFCFKW-UHFFFAOYSA-N -1 3 352.310 2.608 20 5 FFBDHM O=C([O-])[C@@H](c1cccnc1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000571530807 519143243 /nfs/dbraw/zinc/14/32/43/519143243.db2.gz ZNJGMFOEVSCRQX-QGZVFWFLSA-N -1 3 357.366 2.659 20 5 FFBDHM O=C([O-])c1ccnc(NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000574759880 519317655 /nfs/dbraw/zinc/31/76/55/519317655.db2.gz QLVGPMXIMQRJHV-GFCCVEGCSA-N -1 3 362.411 2.999 20 5 FFBDHM COc1cc(CN[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([N+](=O)[O-])cc1OC ZINC000594539542 520017963 /nfs/dbraw/zinc/01/79/63/520017963.db2.gz BWDJQNWAVSZKGE-KGYLQXTDSA-N -1 3 366.414 2.837 20 5 FFBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc2[nH]cnn12 ZINC000597663676 520164598 /nfs/dbraw/zinc/16/45/98/520164598.db2.gz QWZQRSHREKZTPW-UHFFFAOYSA-N -1 3 361.387 2.505 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CCO)c2ccccc2F)cc1[N+](=O)[O-] ZINC000592091202 520177087 /nfs/dbraw/zinc/17/70/87/520177087.db2.gz ZFURELYEYDFYQV-LBPRGKRZSA-N -1 3 374.415 2.506 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]Cc1cc(C)cc(C)c1 ZINC000594839030 520183159 /nfs/dbraw/zinc/18/31/59/520183159.db2.gz HVOXVPYKGUFGGS-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594851794 520189580 /nfs/dbraw/zinc/18/95/80/520189580.db2.gz CTRHOMICZCJFSV-DYEKYZERSA-N -1 3 361.423 2.858 20 5 FFBDHM COc1ccccc1-c1cc(=NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH][n-]1 ZINC000609442684 520313002 /nfs/dbraw/zinc/31/30/02/520313002.db2.gz XIOHJWQYCRRDAH-UHFFFAOYSA-N -1 3 356.313 2.807 20 5 FFBDHM Cn1c([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)nnc1C1CC1 ZINC000597899216 520314225 /nfs/dbraw/zinc/31/42/25/520314225.db2.gz WOZIRQUAJKDSEL-UHFFFAOYSA-N -1 3 355.276 2.872 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000609495076 520333962 /nfs/dbraw/zinc/33/39/62/520333962.db2.gz NSZFLXDPPRRZDJ-UHFFFAOYSA-N -1 3 366.786 2.603 20 5 FFBDHM CNc1c(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000613244732 520408256 /nfs/dbraw/zinc/40/82/56/520408256.db2.gz XXQHVPQNBMWTCW-UHFFFAOYSA-N -1 3 367.365 2.709 20 5 FFBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604071069 520441772 /nfs/dbraw/zinc/44/17/72/520441772.db2.gz DNDONMNTBHCPHW-UHFFFAOYSA-N -1 3 350.294 2.773 20 5 FFBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604071069 520441780 /nfs/dbraw/zinc/44/17/80/520441780.db2.gz DNDONMNTBHCPHW-UHFFFAOYSA-N -1 3 350.294 2.773 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000595417636 520457762 /nfs/dbraw/zinc/45/77/62/520457762.db2.gz JTGHHPJDKSULHS-UHFFFAOYSA-N -1 3 370.349 2.860 20 5 FFBDHM CCOC(=O)c1cc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])ccc1Cl ZINC000617371105 520459742 /nfs/dbraw/zinc/45/97/42/520459742.db2.gz HILQVGVTXBPURZ-UHFFFAOYSA-N -1 3 366.761 2.894 20 5 FFBDHM CCOc1cc(C(=O)NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])cc1OC ZINC000610011657 520505562 /nfs/dbraw/zinc/50/55/62/520505562.db2.gz MPYZONQTRPBZRW-UHFFFAOYSA-N -1 3 364.329 2.777 20 5 FFBDHM CCc1ccc([O-])c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000604532947 520591370 /nfs/dbraw/zinc/59/13/70/520591370.db2.gz YVXOTFSABIIJIZ-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc3c2CCOC3)c([N+](=O)[O-])s1 ZINC000601513285 520820592 /nfs/dbraw/zinc/82/05/92/520820592.db2.gz HLGHTIMQERZGAP-UHFFFAOYSA-N -1 3 368.436 2.516 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000610956519 520919131 /nfs/dbraw/zinc/91/91/31/520919131.db2.gz HJZOKSANGHGJOR-MRVPVSSYSA-N -1 3 352.334 2.938 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000611038958 520956389 /nfs/dbraw/zinc/95/63/89/520956389.db2.gz GCDQFFWNOBOACW-UHFFFAOYSA-N -1 3 372.443 2.618 20 5 FFBDHM C[C@H]1C[C@H]1c1noc(CC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n1 ZINC000596292477 521012876 /nfs/dbraw/zinc/01/28/76/521012876.db2.gz IWJCCXPJRHMAFL-CMPLNLGQSA-N -1 3 359.386 2.661 20 5 FFBDHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000611292032 521083134 /nfs/dbraw/zinc/08/31/34/521083134.db2.gz IUYPQEHJHAJMPJ-JTQLQIEISA-N -1 3 355.803 2.991 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C1CC1)C1CCOCC1 ZINC000593630653 521119552 /nfs/dbraw/zinc/11/95/52/521119552.db2.gz YBJOUTCMIALVNC-OAHLLOKOSA-N -1 3 374.846 2.732 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000614856670 521170458 /nfs/dbraw/zinc/17/04/58/521170458.db2.gz IMWGDEIKOUVXBP-UHFFFAOYSA-N -1 3 374.312 2.752 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000599362233 521175430 /nfs/dbraw/zinc/17/54/30/521175430.db2.gz IOHYIHWQSBCXJG-FRRDWIJNSA-N -1 3 361.423 2.858 20 5 FFBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCC ZINC000599367149 521179055 /nfs/dbraw/zinc/17/90/55/521179055.db2.gz BDLXXKBPPNEZFO-LLVKDONJSA-N -1 3 350.824 2.732 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CNc3ccccc3C2)c1[N+](=O)[O-] ZINC000593730291 521180101 /nfs/dbraw/zinc/18/01/01/521180101.db2.gz NPGMQDFPUQHOBU-AWEZNQCLSA-N -1 3 361.423 2.527 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@@H]1CCc2ccccc2N1 ZINC000593730655 521181071 /nfs/dbraw/zinc/18/10/71/521181071.db2.gz VTELQPSCWWZZFC-AWEZNQCLSA-N -1 3 361.423 2.690 20 5 FFBDHM CC(C)(O)C1CCC(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)CC1 ZINC000593893893 521280659 /nfs/dbraw/zinc/28/06/59/521280659.db2.gz NYXDYFODEZEYCF-UHFFFAOYSA-N -1 3 372.425 2.923 20 5 FFBDHM Cc1nnc(NCCCCc2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1C ZINC000737523373 598854737 /nfs/dbraw/zinc/85/47/37/598854737.db2.gz WPRISGIPCYSAMP-UHFFFAOYSA-N -1 3 368.401 2.617 20 5 FFBDHM Cc1nnc(NCCCCc2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1C ZINC000737523373 598854738 /nfs/dbraw/zinc/85/47/38/598854738.db2.gz WPRISGIPCYSAMP-UHFFFAOYSA-N -1 3 368.401 2.617 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2noc(C=Cc3ccccc3-c3nnn[n-]3)n2)c1 ZINC000738367013 598860386 /nfs/dbraw/zinc/86/03/86/598860386.db2.gz NJZAQGSMSZVNKB-CMDGGOBGSA-N -1 3 361.321 2.995 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2noc(C=Cc3ccccc3-c3nn[n-]n3)n2)c1 ZINC000738367013 598860387 /nfs/dbraw/zinc/86/03/87/598860387.db2.gz NJZAQGSMSZVNKB-CMDGGOBGSA-N -1 3 361.321 2.995 20 5 FFBDHM CC(C)(C(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735582640 598903211 /nfs/dbraw/zinc/90/32/11/598903211.db2.gz MCHYFZSBGQFHAT-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM CC(C)(C(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000735582640 598903212 /nfs/dbraw/zinc/90/32/12/598903212.db2.gz MCHYFZSBGQFHAT-UHFFFAOYSA-N -1 3 367.365 2.796 20 5 FFBDHM CCOc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1OC ZINC000736627430 598914399 /nfs/dbraw/zinc/91/43/99/598914399.db2.gz ZSDFXDDHHVOLRT-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM CCOc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1OC ZINC000736627430 598914400 /nfs/dbraw/zinc/91/44/00/598914400.db2.gz ZSDFXDDHHVOLRT-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC000820280596 599058790 /nfs/dbraw/zinc/05/87/90/599058790.db2.gz JZIWGARQJAEDJE-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC000820280596 599058793 /nfs/dbraw/zinc/05/87/93/599058793.db2.gz JZIWGARQJAEDJE-SNVBAGLBSA-N -1 3 358.333 2.793 20 5 FFBDHM COc1cccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821873234 599063464 /nfs/dbraw/zinc/06/34/64/599063464.db2.gz TXLQANJIENWUMO-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM COc1cccc(O[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821873234 599063467 /nfs/dbraw/zinc/06/34/67/599063467.db2.gz TXLQANJIENWUMO-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000738231238 599186592 /nfs/dbraw/zinc/18/65/92/599186592.db2.gz KBDRKNFMDHUPPP-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000738231238 599186593 /nfs/dbraw/zinc/18/65/93/599186593.db2.gz KBDRKNFMDHUPPP-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651982 599213446 /nfs/dbraw/zinc/21/34/46/599213446.db2.gz USIAYJPETALSDE-UHFFFAOYSA-N -1 3 352.358 2.514 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651982 599213448 /nfs/dbraw/zinc/21/34/48/599213448.db2.gz USIAYJPETALSDE-UHFFFAOYSA-N -1 3 352.358 2.514 20 5 FFBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738233683 598432306 /nfs/dbraw/zinc/43/23/06/598432306.db2.gz FOTMXGIJFNBWMS-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738233683 598432308 /nfs/dbraw/zinc/43/23/08/598432308.db2.gz FOTMXGIJFNBWMS-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737191956 598590216 /nfs/dbraw/zinc/59/02/16/598590216.db2.gz FKCRESJMGYLUMJ-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CSc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737191956 598590218 /nfs/dbraw/zinc/59/02/18/598590218.db2.gz FKCRESJMGYLUMJ-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000737941266 598649737 /nfs/dbraw/zinc/64/97/37/598649737.db2.gz KCQMAJFIAJDTOE-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000737941266 598649739 /nfs/dbraw/zinc/64/97/39/598649739.db2.gz KCQMAJFIAJDTOE-UHFFFAOYSA-N -1 3 356.367 2.506 20 5 FFBDHM O=[N+]([O-])c1ccc(N(C[C@@H]2CCCO2)C2CCCC2)c(-c2nnn[n-]2)c1 ZINC000738369556 599323206 /nfs/dbraw/zinc/32/32/06/599323206.db2.gz IROLHXQRFNXBMO-AWEZNQCLSA-N -1 3 358.402 2.703 20 5 FFBDHM O=[N+]([O-])c1ccc(N(C[C@@H]2CCCO2)C2CCCC2)c(-c2nn[n-]n2)c1 ZINC000738369556 599323209 /nfs/dbraw/zinc/32/32/09/599323209.db2.gz IROLHXQRFNXBMO-AWEZNQCLSA-N -1 3 358.402 2.703 20 5 FFBDHM COc1ccccc1C[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737151878 599324359 /nfs/dbraw/zinc/32/43/59/599324359.db2.gz GNHKVWHRFOLOBI-GFCCVEGCSA-N -1 3 368.397 2.851 20 5 FFBDHM COc1ccccc1C[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737151878 599324362 /nfs/dbraw/zinc/32/43/62/599324362.db2.gz GNHKVWHRFOLOBI-GFCCVEGCSA-N -1 3 368.397 2.851 20 5 FFBDHM C[C@H]1CCCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820711363 599502527 /nfs/dbraw/zinc/50/25/27/599502527.db2.gz XBNPAJNAXAZMCH-NSHDSACASA-N -1 3 353.386 2.950 20 5 FFBDHM C[C@H]1CCCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000820711363 599502529 /nfs/dbraw/zinc/50/25/29/599502529.db2.gz XBNPAJNAXAZMCH-NSHDSACASA-N -1 3 353.386 2.950 20 5 FFBDHM Cc1cccnc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822370220 599528990 /nfs/dbraw/zinc/52/89/90/599528990.db2.gz TVTUJMRYYYTGHP-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM Cc1cccnc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822370220 599528992 /nfs/dbraw/zinc/52/89/92/599528992.db2.gz TVTUJMRYYYTGHP-UHFFFAOYSA-N -1 3 362.353 2.639 20 5 FFBDHM CC[C@H](C)[C@@](C)(O)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859693 599552111 /nfs/dbraw/zinc/55/21/11/599552111.db2.gz GPQMCMCPUBFZKM-BTDLBPIBSA-N -1 3 371.401 2.532 20 5 FFBDHM CC[C@H](C)[C@@](C)(O)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820859693 599552115 /nfs/dbraw/zinc/55/21/15/599552115.db2.gz GPQMCMCPUBFZKM-BTDLBPIBSA-N -1 3 371.401 2.532 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](Cc2ccccc2)C1 ZINC000823630267 599580835 /nfs/dbraw/zinc/58/08/35/599580835.db2.gz UWKLHFGSWDBMOP-CQSZACIVSA-N -1 3 350.382 2.844 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](Cc2ccccc2)C1 ZINC000823630267 599580837 /nfs/dbraw/zinc/58/08/37/599580837.db2.gz UWKLHFGSWDBMOP-CQSZACIVSA-N -1 3 350.382 2.844 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826293649 607407312 /nfs/dbraw/zinc/40/73/12/607407312.db2.gz WYVRMXAQKFGFQU-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826293649 607407314 /nfs/dbraw/zinc/40/73/14/607407314.db2.gz WYVRMXAQKFGFQU-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826272492 607424382 /nfs/dbraw/zinc/42/43/82/607424382.db2.gz MCMHNUCVFPQOCJ-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826272492 607424385 /nfs/dbraw/zinc/42/43/85/607424385.db2.gz MCMHNUCVFPQOCJ-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000736600434 600206048 /nfs/dbraw/zinc/20/60/48/600206048.db2.gz MTLXVEWLEVNUJC-CYBMUJFWSA-N -1 3 371.393 2.543 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829632 607438491 /nfs/dbraw/zinc/43/84/91/607438491.db2.gz HVPFNVCNEXPBKI-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829632 607438492 /nfs/dbraw/zinc/43/84/92/607438492.db2.gz HVPFNVCNEXPBKI-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830800722 601113707 /nfs/dbraw/zinc/11/37/07/601113707.db2.gz VNNWKWWTLDUMAP-CYBMUJFWSA-N -1 3 373.196 2.856 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832958710 601657232 /nfs/dbraw/zinc/65/72/32/601657232.db2.gz NWSZOPPJWLDUON-FZKQIMNGSA-N -1 3 371.393 2.893 20 5 FFBDHM Cc1nn(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c2cc([N+](=O)[O-])ccc12 ZINC000833921574 605324929 /nfs/dbraw/zinc/32/49/29/605324929.db2.gz UVCOSKADJMAKOX-APHBMKBZSA-N -1 3 373.413 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823639939 606172855 /nfs/dbraw/zinc/17/28/55/606172855.db2.gz MUDZKOCLTMJORH-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)c(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823639939 606172857 /nfs/dbraw/zinc/17/28/57/606172857.db2.gz MUDZKOCLTMJORH-UHFFFAOYSA-N -1 3 361.745 2.886 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821984467 606272989 /nfs/dbraw/zinc/27/29/89/606272989.db2.gz QTHDTPXWCAHDLR-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821984467 606272991 /nfs/dbraw/zinc/27/29/91/606272991.db2.gz QTHDTPXWCAHDLR-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM Cc1cc(NCCNc2ncccc2-c2nnn[n-]2)c(Cl)cc1[N+](=O)[O-] ZINC000822209742 606460831 /nfs/dbraw/zinc/46/08/31/606460831.db2.gz UXPJMNOSVWOSSL-UHFFFAOYSA-N -1 3 374.792 2.656 20 5 FFBDHM Cc1cc(NCCNc2ncccc2-c2nn[n-]n2)c(Cl)cc1[N+](=O)[O-] ZINC000822209742 606460833 /nfs/dbraw/zinc/46/08/33/606460833.db2.gz UXPJMNOSVWOSSL-UHFFFAOYSA-N -1 3 374.792 2.656 20 5 FFBDHM C[C@@H](O)C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820474481 607045763 /nfs/dbraw/zinc/04/57/63/607045763.db2.gz RTYGEOBDXLYQFO-DOMZBBRYSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@@H](O)C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820474481 607045765 /nfs/dbraw/zinc/04/57/65/607045765.db2.gz RTYGEOBDXLYQFO-DOMZBBRYSA-N -1 3 368.397 2.742 20 5 FFBDHM Cc1sc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822553751 607077099 /nfs/dbraw/zinc/07/70/99/607077099.db2.gz QCNJYCDEUZRXHX-UHFFFAOYSA-N -1 3 363.330 2.641 20 5 FFBDHM Cc1sc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822553751 607077101 /nfs/dbraw/zinc/07/71/01/607077101.db2.gz QCNJYCDEUZRXHX-UHFFFAOYSA-N -1 3 363.330 2.641 20 5 FFBDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc([N+](=O)[O-])c1 ZINC000822176496 607243692 /nfs/dbraw/zinc/24/36/92/607243692.db2.gz KMNRRAPANGGDGD-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc([N+](=O)[O-])c1 ZINC000822176496 607243693 /nfs/dbraw/zinc/24/36/93/607243693.db2.gz KMNRRAPANGGDGD-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000826176303 607863631 /nfs/dbraw/zinc/86/36/31/607863631.db2.gz JKAOCXXDRBIZOD-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000826176303 607863632 /nfs/dbraw/zinc/86/36/32/607863632.db2.gz JKAOCXXDRBIZOD-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826272656 607873134 /nfs/dbraw/zinc/87/31/34/607873134.db2.gz VBZZGTCDFOSYBY-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826272656 607873135 /nfs/dbraw/zinc/87/31/35/607873135.db2.gz VBZZGTCDFOSYBY-HNNXBMFYSA-N -1 3 355.354 2.504 20 5 FFBDHM Cc1cc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1[N+](=O)[O-] ZINC000826269481 608052025 /nfs/dbraw/zinc/05/20/25/608052025.db2.gz NMNXVEMJTDOMKR-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1cc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1[N+](=O)[O-] ZINC000826269481 608052026 /nfs/dbraw/zinc/05/20/26/608052026.db2.gz NMNXVEMJTDOMKR-QGZVFWFLSA-N -1 3 366.381 2.661 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826293348 608442148 /nfs/dbraw/zinc/44/21/48/608442148.db2.gz LSOHCRHLZNDFRL-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826293348 608442149 /nfs/dbraw/zinc/44/21/49/608442149.db2.gz LSOHCRHLZNDFRL-UHFFFAOYSA-N -1 3 363.381 2.772 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cc(-c4nnn[n-]4)ccc3F)c2)c1 ZINC000826499303 609313882 /nfs/dbraw/zinc/31/38/82/609313882.db2.gz DIWMOFHLRARCAQ-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2cnn(Cc3cc(-c4nn[n-]n4)ccc3F)c2)c1 ZINC000826499303 609313884 /nfs/dbraw/zinc/31/38/84/609313884.db2.gz DIWMOFHLRARCAQ-UHFFFAOYSA-N -1 3 365.328 2.826 20 5 FFBDHM C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824929469 609509824 /nfs/dbraw/zinc/50/98/24/609509824.db2.gz XVWPNNVBBXCJSO-APPZFPTMSA-N -1 3 350.766 2.803 20 5 FFBDHM C[C@@H]1CCC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824929469 609509827 /nfs/dbraw/zinc/50/98/27/609509827.db2.gz XVWPNNVBBXCJSO-APPZFPTMSA-N -1 3 350.766 2.803 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)[N-]OCc1cccnc1 ZINC000152501566 728760054 /nfs/dbraw/zinc/76/00/54/728760054.db2.gz LGHCFBCJJNKSNN-UHFFFAOYSA-N -1 3 366.171 2.543 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(F)c1 ZINC000134472451 728730393 /nfs/dbraw/zinc/73/03/93/728730393.db2.gz XHTUYICQPDWUOI-VBQJREDUSA-N -1 3 362.382 2.598 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]c2cccnc2Br)ccc1[N+](=O)[O-] ZINC000179091730 729177462 /nfs/dbraw/zinc/17/74/62/729177462.db2.gz GWFXZVOORQORRL-UHFFFAOYSA-N -1 3 372.200 2.862 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(Cl)c1 ZINC000193980829 729496054 /nfs/dbraw/zinc/49/60/54/729496054.db2.gz VDUPDFKLNHCHFI-LLVKDONJSA-N -1 3 352.799 2.866 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl ZINC000856749472 730354333 /nfs/dbraw/zinc/35/43/33/730354333.db2.gz HEZQIZXDQRDUBZ-SECBINFHSA-N -1 3 353.227 2.765 20 5 FFBDHM C[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC000858780622 730433608 /nfs/dbraw/zinc/43/36/08/730433608.db2.gz RJQZKVMYJNVHTJ-MNOVXSKESA-N -1 3 352.391 2.895 20 5 FFBDHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000742703382 735250444 /nfs/dbraw/zinc/25/04/44/735250444.db2.gz JIPUDBIJSUIYFP-NSHDSACASA-N -1 3 364.379 2.884 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2CC3(C2)COC(C)(C)C3)c([N+](=O)[O-])s1 ZINC000907999201 736701019 /nfs/dbraw/zinc/70/10/19/736701019.db2.gz BEUNCBAAZNQGFU-UHFFFAOYSA-N -1 3 360.457 2.591 20 5 FFBDHM COCc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1 ZINC000800052320 740479202 /nfs/dbraw/zinc/47/92/02/740479202.db2.gz QAPAAHDZGPZXEK-UHFFFAOYSA-N -1 3 354.359 2.990 20 5 FFBDHM Cn1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC000809824831 741349409 /nfs/dbraw/zinc/34/94/09/741349409.db2.gz VTMYMTGGHKGVQH-UHFFFAOYSA-N -1 3 364.210 2.719 20 5 FFBDHM CC(=CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823943103 743002228 /nfs/dbraw/zinc/00/22/28/743002228.db2.gz NEVUNUMZXIVEBG-HJWRWDBZSA-N -1 3 356.367 2.878 20 5 FFBDHM CC(=CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823943103 743002232 /nfs/dbraw/zinc/00/22/32/743002232.db2.gz NEVUNUMZXIVEBG-HJWRWDBZSA-N -1 3 356.367 2.878 20 5 FFBDHM CN(CC(C)(C)CNC(=O)OC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853401389 750056520 /nfs/dbraw/zinc/05/65/20/750056520.db2.gz OFLZAZHOZOJWHU-UHFFFAOYSA-N -1 3 354.407 2.683 20 5 FFBDHM COc1ccc([C@H]2CN(Cc3ccc([O-])c(OC)c3[N+](=O)[O-])CCO2)cc1 ZINC000895851910 971010176 /nfs/dbraw/zinc/01/01/76/971010176.db2.gz ZIJANLYWXWBBRQ-QGZVFWFLSA-N -1 3 374.393 2.891 20 5 FFBDHM O=C(c1cc2c(cc1[O-])OCO2)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436591010 980257988 /nfs/dbraw/zinc/25/79/88/980257988.db2.gz OWMSGOUMNFKFHH-QGZVFWFLSA-N -1 3 374.374 2.917 20 5 FFBDHM COc1cc(CNC2(CC(=O)[O-])CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC001599415436 997499546 /nfs/dbraw/zinc/49/95/46/997499546.db2.gz BDUCBDZOWVCCKQ-UHFFFAOYSA-N -1 3 360.313 2.692 20 5 FFBDHM O=C1[N-]C(=O)C(=CN=c2[nH]c3ccc([N+](=O)[O-])cc3s2)c2ccccc21 ZINC000128874068 1016209001 /nfs/dbraw/zinc/20/90/01/1016209001.db2.gz LALSFFOYZQPQQE-XYOKQWHBSA-N -1 3 366.358 2.928 20 5 FFBDHM O=C([N-]Cc1ncnn1-c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000785675797 1001466408 /nfs/dbraw/zinc/46/64/08/1001466408.db2.gz WCXSXRSVPPNLAW-UHFFFAOYSA-N -1 3 373.319 2.584 20 5 FFBDHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cc2cccnc2c2ncccc12 ZINC001182972004 1002102724 /nfs/dbraw/zinc/10/27/24/1002102724.db2.gz NCBNTOSACBFVIF-UHFFFAOYSA-N -1 3 372.384 2.857 20 5 FFBDHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001186839548 1003430852 /nfs/dbraw/zinc/43/08/52/1003430852.db2.gz SMBNONPTVCNGID-CYBMUJFWSA-N -1 3 369.830 2.943 20 5 FFBDHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001191848018 1003980984 /nfs/dbraw/zinc/98/09/84/1003980984.db2.gz MGIBWGIJCRJZGG-NSHDSACASA-N -1 3 362.423 2.772 20 5 FFBDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001194365547 1004712539 /nfs/dbraw/zinc/71/25/39/1004712539.db2.gz UIHBKULEJNETMU-SNVBAGLBSA-N -1 3 355.803 2.991 20 5 FFBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001187454767 1006090437 /nfs/dbraw/zinc/09/04/37/1006090437.db2.gz YHIFEYOPWQDWQS-SNVBAGLBSA-N -1 3 350.437 2.852 20 5 FFBDHM CC(C)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000853510855 1006420963 /nfs/dbraw/zinc/42/09/63/1006420963.db2.gz GRBNEHUJVATKDR-CYBMUJFWSA-N -1 3 366.418 2.777 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCSCC(C)C)c(F)cc1[N+](=O)[O-] ZINC001188894102 1006788580 /nfs/dbraw/zinc/78/85/80/1006788580.db2.gz IOFGRYXBFLPIJO-UHFFFAOYSA-N -1 3 350.437 2.710 20 5 FFBDHM O=c1ccc(O)c2oc3cc([O-])cc(O[C@H]4CCCC[NH2+]C4)c3c([O-])c1-2 ZINC001217972967 1032928014 /nfs/dbraw/zinc/92/80/14/1032928014.db2.gz AXWWMPOQMLBGLU-NSHDSACASA-N -1 3 357.362 2.584 20 5 FFBDHM COc1ccccc1[C@@H](CO)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778421633 1021957719 /nfs/dbraw/zinc/95/77/19/1021957719.db2.gz IAXVYFSUIJAEFM-CQSZACIVSA-N -1 3 366.320 2.545 20 5 FFBDHM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000755021748 1023555796 /nfs/dbraw/zinc/55/57/96/1023555796.db2.gz QQAKRLYYKJNBHJ-LUAWRHEFSA-N -1 3 374.374 2.559 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)Oc2cccc(-c3nc(C)cc(=O)[n-]3)c2)n1 ZINC000755803442 1023639014 /nfs/dbraw/zinc/63/90/14/1023639014.db2.gz KORNUWGTOAUCQP-UHFFFAOYSA-N -1 3 369.337 2.501 20 5 FFBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001124506483 1024337272 /nfs/dbraw/zinc/33/72/72/1024337272.db2.gz HOWJXJHTDNYSHC-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001212937320 1027443307 /nfs/dbraw/zinc/44/33/07/1027443307.db2.gz YPNQLKBZKDMFRW-UHFFFAOYSA-N -1 3 353.216 2.826 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001160949417 1027940968 /nfs/dbraw/zinc/94/09/68/1027940968.db2.gz YKUNLFOTMALKMZ-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001160949417 1027940983 /nfs/dbraw/zinc/94/09/83/1027940983.db2.gz YKUNLFOTMALKMZ-UHFFFAOYSA-N -1 3 370.394 2.673 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[n-]n1 ZINC001157105488 1029468576 /nfs/dbraw/zinc/46/85/76/1029468576.db2.gz LDGHPKMVYJZLES-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM CC(C)OC(=O)c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[n-]1 ZINC001157105488 1029468583 /nfs/dbraw/zinc/46/85/83/1029468583.db2.gz LDGHPKMVYJZLES-UHFFFAOYSA-N -1 3 352.734 2.789 20 5 FFBDHM COc1cc(CNCc2cc3c([nH]c2=O)CCCC3)c([N+](=O)[O-])cc1[O-] ZINC001203427978 1030693313 /nfs/dbraw/zinc/69/33/13/1030693313.db2.gz JGHSLIOSWYEQSR-UHFFFAOYSA-N -1 3 359.382 2.578 20 5 FFBDHM Cc1cccc(CO[N-]C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC001149461914 1031513977 /nfs/dbraw/zinc/51/39/77/1031513977.db2.gz FPRRHPZHTLCBMR-UHFFFAOYSA-N -1 3 365.773 2.969 20 5 FFBDHM C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225579662 1034319081 /nfs/dbraw/zinc/31/90/81/1034319081.db2.gz OJQLJXAFCBHZNA-ZCFIWIBFSA-N -1 3 373.243 2.978 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@H](Oc2c([O-])cccc2[N+](=O)[O-])C(F)(F)C1 ZINC001226334374 1034632842 /nfs/dbraw/zinc/63/28/42/1034632842.db2.gz TYLKCSYBVBPHRR-NSHDSACASA-N -1 3 360.313 2.934 20 5 FFBDHM CCN(CC)C(=O)[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)c1ccccc1 ZINC001227691899 1035675953 /nfs/dbraw/zinc/67/59/53/1035675953.db2.gz RSSVSTOYFZLCLS-INIZCTEOSA-N -1 3 369.381 2.855 20 5 FFBDHM CN1CCN(c2ccc3[nH]c(-c4ccc([N+](=O)[O-])cc4[O-])nc3c2)CC1 ZINC001251009052 1038893974 /nfs/dbraw/zinc/89/39/74/1038893974.db2.gz BQPHOTQZLASSSH-UHFFFAOYSA-N -1 3 353.382 2.596 20 5 FFBDHM CN1CCN(c2ccc3[nH]c(-c4cccc([N+](=O)[O-])c4[O-])nc3c2)CC1 ZINC001251271328 1039043921 /nfs/dbraw/zinc/04/39/21/1039043921.db2.gz APFUGXYVIUMSBK-UHFFFAOYSA-N -1 3 353.382 2.596 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nnc(-c3ccc(F)cc3)o2)c1Br ZINC001252225565 1039459971 /nfs/dbraw/zinc/45/99/71/1039459971.db2.gz UKDDDYUQGUSGTO-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nnc(-c3ccc(F)cc3)o2)c1Br ZINC001252225565 1039459978 /nfs/dbraw/zinc/45/99/78/1039459978.db2.gz UKDDDYUQGUSGTO-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(F)c([N+](=O)[O-])c1)OCC ZINC001211190847 1039985266 /nfs/dbraw/zinc/98/52/66/1039985266.db2.gz NSROXSJDSYPXPP-UHFFFAOYSA-N -1 3 366.349 2.915 20 5 FFBDHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC001537902373 1070286853 /nfs/dbraw/zinc/28/68/53/1070286853.db2.gz LGUZJYWZXAZYNT-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001213680624 1040788998 /nfs/dbraw/zinc/78/89/98/1040788998.db2.gz VKYXKPPROZFYOM-VIFPVBQESA-N -1 3 369.330 2.682 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC001329647755 1048829704 /nfs/dbraw/zinc/82/97/04/1048829704.db2.gz SJBMGBBSRYHPRM-VIFPVBQESA-N -1 3 370.456 2.783 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H](O)COc2cccc(Cl)c2Cl)c1[N+](=O)[O-] ZINC001306944502 1052226034 /nfs/dbraw/zinc/22/60/34/1052226034.db2.gz OOARRUBXBKNRGS-MRVPVSSYSA-N -1 3 374.180 2.854 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(F)cc1[N+](=O)[O-] ZINC001309251447 1052584152 /nfs/dbraw/zinc/58/41/52/1052584152.db2.gz ZOSYWNFIYDGYQC-COLVAYQJSA-N -1 3 372.418 2.524 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC2([C@@H](C)CCO)CCC2)c(F)cc1[N+](=O)[O-] ZINC001309347041 1052603287 /nfs/dbraw/zinc/60/32/87/1052603287.db2.gz HNAGDDNFUIVTPH-LBPRGKRZSA-N -1 3 374.434 2.509 20 5 FFBDHM O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001450900530 1059061192 /nfs/dbraw/zinc/06/11/92/1059061192.db2.gz MVJUAQQQOHREIF-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001450900530 1059061214 /nfs/dbraw/zinc/06/12/14/1059061214.db2.gz MVJUAQQQOHREIF-UHFFFAOYSA-N -1 3 358.745 2.604 20 5 FFBDHM O=c1[n-]ccc(NCc2nc(C(F)(F)F)n3c2CCCC3)c1[N+](=O)[O-] ZINC001458597200 1060632463 /nfs/dbraw/zinc/63/24/63/1060632463.db2.gz JSLGIWXECWQSOK-UHFFFAOYSA-N -1 3 357.292 2.859 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC001528507055 1061940114 /nfs/dbraw/zinc/94/01/14/1061940114.db2.gz VPEAJHRUESEQOI-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001463986947 1062364942 /nfs/dbraw/zinc/36/49/42/1062364942.db2.gz SMODLZLSAGUPPW-GDBMZVCRSA-N -1 3 372.418 2.668 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CCC2)c(F)cc1[N+](=O)[O-] ZINC001464343133 1062558412 /nfs/dbraw/zinc/55/84/12/1062558412.db2.gz PBMGGIXADMIVHJ-HNNXBMFYSA-N -1 3 372.418 2.812 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CC(=O)CC2CCCCC2)c([N+](=O)[O-])s1 ZINC001464368257 1062574607 /nfs/dbraw/zinc/57/46/07/1062574607.db2.gz MYKYCLMVHODPHD-UHFFFAOYSA-N -1 3 360.457 2.783 20 5 FFBDHM CCOc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1[N+](=O)[O-] ZINC001437550621 1062878662 /nfs/dbraw/zinc/87/86/62/1062878662.db2.gz RFVUWMBZDFNGTB-UHFFFAOYSA-N -1 3 360.370 2.677 20 5 FFBDHM COC(=O)c1cnc(Cl)c([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC001438318504 1062984281 /nfs/dbraw/zinc/98/42/81/1062984281.db2.gz XFEUMRCIQNAAGN-UHFFFAOYSA-N -1 3 371.683 2.960 20 5 FFBDHM Cc1cccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)c1 ZINC001470713469 1064423285 /nfs/dbraw/zinc/42/32/85/1064423285.db2.gz QETKVNXOXAIVCJ-HNNXBMFYSA-N -1 3 355.394 2.613 20 5 FFBDHM O=c1[n-]ccc(N2CCOc3cc(Br)ccc3C2)c1[N+](=O)[O-] ZINC001472840383 1065155846 /nfs/dbraw/zinc/15/58/46/1065155846.db2.gz KLQHBYWGKHMATO-UHFFFAOYSA-N -1 3 366.171 2.857 20 5 FFBDHM COc1cc(CNc2cccc([C@]3(C)COC(=O)N3)c2)c([N+](=O)[O-])cc1[O-] ZINC001474250105 1065477959 /nfs/dbraw/zinc/47/79/59/1065477959.db2.gz HIUFHCPBYRYACX-SFHVURJKSA-N -1 3 373.365 2.876 20 5 FFBDHM COc1cc(CNc2nnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])cc1[O-] ZINC001474296111 1065486022 /nfs/dbraw/zinc/48/60/22/1065486022.db2.gz ZQDRABVIHXOBFS-UHFFFAOYSA-N -1 3 373.344 2.949 20 5 FFBDHM CCOc1cc(NCc2ccc(-c3nnn[n-]3)c(F)c2)ccc1[N+](=O)[O-] ZINC001578393556 1078469247 /nfs/dbraw/zinc/46/92/47/1078469247.db2.gz YWLMGVNPNHMVTC-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CCOc1cc(NCc2ccc(-c3nn[n-]n3)c(F)c2)ccc1[N+](=O)[O-] ZINC001578393556 1078469249 /nfs/dbraw/zinc/46/92/49/1078469249.db2.gz YWLMGVNPNHMVTC-UHFFFAOYSA-N -1 3 358.333 2.925 20 5 FFBDHM CON(Cc1ccc(Cl)cc1)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001579847900 1078697203 /nfs/dbraw/zinc/69/72/03/1078697203.db2.gz LBFGKZXHMZYPOJ-UHFFFAOYSA-N -1 3 374.788 2.992 20 5 FFBDHM CON(Cc1ccc(Cl)cc1)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001579847900 1078697206 /nfs/dbraw/zinc/69/72/06/1078697206.db2.gz LBFGKZXHMZYPOJ-UHFFFAOYSA-N -1 3 374.788 2.992 20 5 FFBDHM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001579937819 1078720908 /nfs/dbraw/zinc/72/09/08/1078720908.db2.gz YZOAZIFPAMMCPU-UHFFFAOYSA-N -1 3 372.297 2.792 20 5 FFBDHM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001579937819 1078720913 /nfs/dbraw/zinc/72/09/13/1078720913.db2.gz YZOAZIFPAMMCPU-UHFFFAOYSA-N -1 3 372.297 2.792 20 5 FFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc(-c2nnn[n-]2)c1 ZINC001580985027 1078904358 /nfs/dbraw/zinc/90/43/58/1078904358.db2.gz JYCUZBOEWXIMOS-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc(-c2nn[n-]n2)c1 ZINC001580985027 1078904361 /nfs/dbraw/zinc/90/43/61/1078904361.db2.gz JYCUZBOEWXIMOS-UHFFFAOYSA-N -1 3 356.317 2.783 20 5 FFBDHM Cc1cccc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)c1[N+](=O)[O-] ZINC001581231454 1078942580 /nfs/dbraw/zinc/94/25/80/1078942580.db2.gz AVZWJSQUPHKNLN-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cccc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)c1[N+](=O)[O-] ZINC001581231454 1078942583 /nfs/dbraw/zinc/94/25/83/1078942583.db2.gz AVZWJSQUPHKNLN-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCCOc1cccc(Cl)c1 ZINC001582804066 1079110380 /nfs/dbraw/zinc/11/03/80/1079110380.db2.gz HSRHYEYZJTZYEN-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCCOc1cccc(Cl)c1 ZINC001582804066 1079110385 /nfs/dbraw/zinc/11/03/85/1079110385.db2.gz HSRHYEYZJTZYEN-UHFFFAOYSA-N -1 3 360.761 2.919 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccns2)c(C(F)(F)F)c1 ZINC001561841064 1076432301 /nfs/dbraw/zinc/43/23/01/1076432301.db2.gz SOIFMTXBJQDDEG-UHFFFAOYSA-N -1 3 367.330 2.549 20 5 FFBDHM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)OC1 ZINC001561873433 1076437376 /nfs/dbraw/zinc/43/73/76/1076437376.db2.gz FECRQPMPFDFSQS-NSHDSACASA-N -1 3 362.835 2.732 20 5 FFBDHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)nc21 ZINC001586147403 1079560874 /nfs/dbraw/zinc/56/08/74/1079560874.db2.gz LKCAWPVEUPVICM-UHFFFAOYSA-N -1 3 368.349 2.829 20 5 FFBDHM CC(C)(CCC(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1)[N+](=O)[O-] ZINC001589273195 1080458074 /nfs/dbraw/zinc/45/80/74/1080458074.db2.gz XXOSRDNENAACGP-UHFFFAOYSA-N -1 3 358.402 2.588 20 5 FFBDHM CC(C)(CCC(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1)[N+](=O)[O-] ZINC001589273195 1080458075 /nfs/dbraw/zinc/45/80/75/1080458075.db2.gz XXOSRDNENAACGP-UHFFFAOYSA-N -1 3 358.402 2.588 20 5 FFBDHM CC(C)(NC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001589321975 1080482194 /nfs/dbraw/zinc/48/21/94/1080482194.db2.gz KENTZSWSPRWQAK-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)(NC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001589321975 1080482198 /nfs/dbraw/zinc/48/21/98/1080482198.db2.gz KENTZSWSPRWQAK-UHFFFAOYSA-N -1 3 358.383 2.502 20 5 FFBDHM CC(C)N(CCc1nccs1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589695338 1080674356 /nfs/dbraw/zinc/67/43/56/1080674356.db2.gz NDKKQNITIFSAOH-UHFFFAOYSA-N -1 3 359.415 2.689 20 5 FFBDHM CC(C)Oc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001589754223 1080707277 /nfs/dbraw/zinc/70/72/77/1080707277.db2.gz QAQDXIWDRHYVDH-UHFFFAOYSA-N -1 3 369.385 2.612 20 5 FFBDHM CC(C)Oc1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001589754223 1080707282 /nfs/dbraw/zinc/70/72/82/1080707282.db2.gz QAQDXIWDRHYVDH-UHFFFAOYSA-N -1 3 369.385 2.612 20 5 FFBDHM CC(C)Oc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)cc1 ZINC001589757968 1080712228 /nfs/dbraw/zinc/71/22/28/1080712228.db2.gz PKTYDPIBCUDILU-UHFFFAOYSA-N -1 3 355.358 2.888 20 5 FFBDHM CC(C)Oc1ccc(Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)cc1 ZINC001589757968 1080712231 /nfs/dbraw/zinc/71/22/31/1080712231.db2.gz PKTYDPIBCUDILU-UHFFFAOYSA-N -1 3 355.358 2.888 20 5 FFBDHM C[C@H](CCO)C1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001589833544 1080784678 /nfs/dbraw/zinc/78/46/78/1080784678.db2.gz NOROOCKANOVNQM-SNVBAGLBSA-N -1 3 364.381 2.515 20 5 FFBDHM C[C@H](CCO)C1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001589833544 1080784685 /nfs/dbraw/zinc/78/46/85/1080784685.db2.gz NOROOCKANOVNQM-SNVBAGLBSA-N -1 3 364.381 2.515 20 5 FFBDHM C[C@@H](COc1cccc(F)c1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589884816 1080831393 /nfs/dbraw/zinc/83/13/93/1080831393.db2.gz IBOFAEFPXKVYNH-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](COc1cccc(F)c1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589884816 1080831396 /nfs/dbraw/zinc/83/13/96/1080831396.db2.gz IBOFAEFPXKVYNH-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001589920566 1080860987 /nfs/dbraw/zinc/86/09/87/1080860987.db2.gz XVKDQZIJLUPVDS-NEPJUHHUSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H](C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001589920566 1080860989 /nfs/dbraw/zinc/86/09/89/1080860989.db2.gz XVKDQZIJLUPVDS-NEPJUHHUSA-N -1 3 366.381 2.756 20 5 FFBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001590042356 1080966903 /nfs/dbraw/zinc/96/69/03/1080966903.db2.gz DEVWQVYIFIWYMF-JTQLQIEISA-N -1 3 370.344 2.747 20 5 FFBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC001590042356 1080966908 /nfs/dbraw/zinc/96/69/08/1080966908.db2.gz DEVWQVYIFIWYMF-JTQLQIEISA-N -1 3 370.344 2.747 20 5 FFBDHM CC1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC2(CC1)OCCO2 ZINC001590134114 1081039678 /nfs/dbraw/zinc/03/96/78/1081039678.db2.gz OCBNSAFMRFEWBW-UHFFFAOYSA-N -1 3 374.401 2.510 20 5 FFBDHM CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC2(CC1)OCCO2 ZINC001590134114 1081039685 /nfs/dbraw/zinc/03/96/85/1081039685.db2.gz OCBNSAFMRFEWBW-UHFFFAOYSA-N -1 3 374.401 2.510 20 5 FFBDHM C[C@H]1[C@@H](C(F)(F)F)CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001590164130 1081063329 /nfs/dbraw/zinc/06/33/29/1081063329.db2.gz AZVLZYGBSVWEKQ-KWQFWETISA-N -1 3 356.308 2.942 20 5 FFBDHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590214430 1081097820 /nfs/dbraw/zinc/09/78/20/1081097820.db2.gz PUGWTCQYADWSPJ-GWCFXTLKSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590214430 1081097829 /nfs/dbraw/zinc/09/78/29/1081097829.db2.gz PUGWTCQYADWSPJ-GWCFXTLKSA-N -1 3 369.360 2.691 20 5 FFBDHM C[C@@H]1CCC[C@@H](CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC001590244337 1081117830 /nfs/dbraw/zinc/11/78/30/1081117830.db2.gz TWKXYUDWZLQBCJ-PWSUYJOCSA-N -1 3 369.385 2.693 20 5 FFBDHM C[C@@H]1CCC[C@@H](CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)O1 ZINC001590244337 1081117833 /nfs/dbraw/zinc/11/78/33/1081117833.db2.gz TWKXYUDWZLQBCJ-PWSUYJOCSA-N -1 3 369.385 2.693 20 5 FFBDHM CC(C)Oc1ccc([N+](=O)[O-])cc1CSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000105393539 250211540 /nfs/dbraw/zinc/21/15/40/250211540.db2.gz LLYXOPJEXSSQCI-UHFFFAOYSA-N -1 3 361.383 2.634 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000273811496 255794473 /nfs/dbraw/zinc/79/44/73/255794473.db2.gz DNRXWWJHKOGJRN-LZWOXQAQSA-N -1 3 370.352 2.529 20 5 FFBDHM CCOc1cc(-c2noc(CCn3nc(C)c([N+](=O)[O-])c3C)n2)ccc1[O-] ZINC000278079857 256274403 /nfs/dbraw/zinc/27/44/03/256274403.db2.gz NOZIKIUCKFBCDB-UHFFFAOYSA-N -1 3 373.369 2.805 20 5 FFBDHM CC(=O)Nc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000302161279 258092133 /nfs/dbraw/zinc/09/21/33/258092133.db2.gz JVRRIQVEKJYFSH-UHFFFAOYSA-N -1 3 355.397 2.762 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)cc1C ZINC000330626055 258166975 /nfs/dbraw/zinc/16/69/75/258166975.db2.gz IKQCLZGKELQXSN-DZGCQCFKSA-N -1 3 356.444 2.694 20 5 FFBDHM Cn1cnnc1-c1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000033132916 506340119 /nfs/dbraw/zinc/34/01/19/506340119.db2.gz MBGQWQKCWGGTHX-UHFFFAOYSA-N -1 3 363.337 2.519 20 5 FFBDHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056098440 506934081 /nfs/dbraw/zinc/93/40/81/506934081.db2.gz POPHISIRFXLOJY-VIFPVBQESA-N -1 3 372.349 2.921 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2F ZINC000057020537 507152350 /nfs/dbraw/zinc/15/23/50/507152350.db2.gz BWCDKWZDLBPAKM-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM COc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047542852 507354900 /nfs/dbraw/zinc/35/49/00/507354900.db2.gz JXMDVNGDEPVBKE-UHFFFAOYSA-N -1 3 356.787 2.735 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2)c(Cl)c1 ZINC000047543960 507355801 /nfs/dbraw/zinc/35/58/01/507355801.db2.gz GZBVCJDRPIPLTO-UHFFFAOYSA-N -1 3 356.787 2.606 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000068939135 507367146 /nfs/dbraw/zinc/36/71/46/507367146.db2.gz PVWNPHMRBAIYMI-UHFFFAOYSA-N -1 3 368.386 2.654 20 5 FFBDHM COc1ccc(-c2nc(Sc3ncccc3[N+](=O)[O-])n[n-]2)c(OC)c1 ZINC000069000535 507377251 /nfs/dbraw/zinc/37/72/51/507377251.db2.gz NVNSIRMTCGPAIX-UHFFFAOYSA-N -1 3 359.367 2.943 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)COc1cccc(F)c1 ZINC000060509603 507554644 /nfs/dbraw/zinc/55/46/44/507554644.db2.gz IJMVKUWUOOISJO-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM O=c1nc(Cn2cnc([N+](=O)[O-])c2)[n-]c2scc(-c3ccccc3)c21 ZINC000026122615 507560230 /nfs/dbraw/zinc/56/02/30/507560230.db2.gz BERXTCWIBDKFNR-UHFFFAOYSA-N -1 3 353.363 2.805 20 5 FFBDHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063311394 507717279 /nfs/dbraw/zinc/71/72/79/507717279.db2.gz JCNBEBDRCYRZQZ-UHFFFAOYSA-N -1 3 364.423 2.860 20 5 FFBDHM O=C(c1cccc([O-])c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000072530642 507803538 /nfs/dbraw/zinc/80/35/38/507803538.db2.gz XWLVEHNLQXKFPV-UHFFFAOYSA-N -1 3 361.785 2.916 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000030502401 507809367 /nfs/dbraw/zinc/80/93/67/507809367.db2.gz JHBULBFZUZQYEL-UHFFFAOYSA-N -1 3 372.443 2.621 20 5 FFBDHM O=C(c1ccc([O-])cc1)N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091810925 508014916 /nfs/dbraw/zinc/01/49/16/508014916.db2.gz YNRNGEQUSYQISZ-HWKANZROSA-N -1 3 367.405 2.772 20 5 FFBDHM CC(C)c1nc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000080760454 508101108 /nfs/dbraw/zinc/10/11/08/508101108.db2.gz IVCKEZPTVQILOV-UHFFFAOYSA-N -1 3 366.443 2.743 20 5 FFBDHM CCn1ncc2ccc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc21 ZINC000156805795 508479672 /nfs/dbraw/zinc/47/96/72/508479672.db2.gz YCXVQFWLBMKEJW-UHFFFAOYSA-N -1 3 374.422 2.949 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000134666111 508557206 /nfs/dbraw/zinc/55/72/06/508557206.db2.gz QCTLMGCSVBHORC-UHFFFAOYSA-N -1 3 354.359 2.644 20 5 FFBDHM Cc1nc(C)c(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)s1 ZINC000136268548 508683715 /nfs/dbraw/zinc/68/37/15/508683715.db2.gz MJMNMAOEJNXEBI-UHFFFAOYSA-N -1 3 350.385 2.767 20 5 FFBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1[N+](=O)[O-] ZINC000158893042 508764948 /nfs/dbraw/zinc/76/49/48/508764948.db2.gz SJAPLGODUNBHCL-UHFFFAOYSA-N -1 3 374.777 2.989 20 5 FFBDHM Cc1cccc2[nH]c(C[N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])nc21 ZINC000130021281 508788555 /nfs/dbraw/zinc/78/85/55/508788555.db2.gz KOZYEAHZWSRKGK-UHFFFAOYSA-N -1 3 374.422 2.875 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(C)C ZINC000124913739 508904081 /nfs/dbraw/zinc/90/40/81/508904081.db2.gz MOFYYTQAXOGRIN-LBPRGKRZSA-N -1 3 350.462 2.694 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000125122558 508934487 /nfs/dbraw/zinc/93/44/87/508934487.db2.gz APOBKEHCZFWMRF-BXUZGUMPSA-N -1 3 362.473 2.694 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000125291309 508960757 /nfs/dbraw/zinc/96/07/57/508960757.db2.gz NKSYMAPEICIYGI-LBPRGKRZSA-N -1 3 352.368 2.552 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000125681305 509015752 /nfs/dbraw/zinc/01/57/52/509015752.db2.gz JAORMMKKMNJRKL-YPMHNXCESA-N -1 3 362.473 2.574 20 5 FFBDHM CSCc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000189038077 509382592 /nfs/dbraw/zinc/38/25/92/509382592.db2.gz YZRGTONZUHETKY-UHFFFAOYSA-N -1 3 352.437 2.936 20 5 FFBDHM CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164400255 509498788 /nfs/dbraw/zinc/49/87/88/509498788.db2.gz REWQRLOOPBEDLG-UHFFFAOYSA-N -1 3 371.437 2.937 20 5 FFBDHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000267610223 509565509 /nfs/dbraw/zinc/56/55/09/509565509.db2.gz HLQHCBIOAJJOOG-JTQLQIEISA-N -1 3 371.440 2.546 20 5 FFBDHM C[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000186392545 509685767 /nfs/dbraw/zinc/68/57/67/509685767.db2.gz FRVOXDPFWPLHAO-GFCCVEGCSA-N -1 3 369.377 2.571 20 5 FFBDHM C[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c2c([O-])cccc21 ZINC000186392563 509685906 /nfs/dbraw/zinc/68/59/06/509685906.db2.gz FRVOXDPFWPLHAO-LBPRGKRZSA-N -1 3 369.377 2.571 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000186585228 509786023 /nfs/dbraw/zinc/78/60/23/509786023.db2.gz VRRNGDGNBLTBFT-GUYCJALGSA-N -1 3 363.439 2.565 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2cccs2)nn1C ZINC000193243773 509833817 /nfs/dbraw/zinc/83/38/17/509833817.db2.gz DMVLLHRNSXKNAT-UHFFFAOYSA-N -1 3 359.367 2.713 20 5 FFBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000173984231 509889110 /nfs/dbraw/zinc/88/91/10/509889110.db2.gz XDAROEZYBUVJJK-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000194007384 510174084 /nfs/dbraw/zinc/17/40/84/510174084.db2.gz IMVJXNCMVJQJLD-UHFFFAOYSA-N -1 3 350.849 2.812 20 5 FFBDHM CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194019955 510178567 /nfs/dbraw/zinc/17/85/67/510178567.db2.gz LYWSHBOHKIOZEV-INIZCTEOSA-N -1 3 372.425 2.582 20 5 FFBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000184501549 510359056 /nfs/dbraw/zinc/35/90/56/510359056.db2.gz ZKJZYHOCNGYTFK-UHFFFAOYSA-N -1 3 355.441 2.714 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000184699078 510469457 /nfs/dbraw/zinc/46/94/57/510469457.db2.gz DORJLZNCCVLDNS-UHFFFAOYSA-N -1 3 353.425 2.548 20 5 FFBDHM O=C(Nc1cc(Br)ccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188246109 510666769 /nfs/dbraw/zinc/66/67/69/510666769.db2.gz PCERDYWPZDUVLP-UHFFFAOYSA-N -1 3 356.107 2.849 20 5 FFBDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000188394581 510744628 /nfs/dbraw/zinc/74/46/28/510744628.db2.gz LBSJBVWRFXAFAA-GFCCVEGCSA-N -1 3 350.824 2.588 20 5 FFBDHM O=c1nc(Cc2ccc([N+](=O)[O-])cn2)[n-]c2sc3c(c21)CCCS3 ZINC000182332088 510851631 /nfs/dbraw/zinc/85/16/31/510851631.db2.gz CTMUBRCNTLGQDV-UHFFFAOYSA-N -1 3 360.420 2.917 20 5 FFBDHM COc1ccc(C(=O)[N-]c2nnc(C3CCOCC3)s2)cc1[N+](=O)[O-] ZINC000294296894 511017292 /nfs/dbraw/zinc/01/72/92/511017292.db2.gz ODCGIDHKWMMZOQ-UHFFFAOYSA-N -1 3 364.383 2.601 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCSC2)c1 ZINC000279905591 511260932 /nfs/dbraw/zinc/26/09/32/511260932.db2.gz VKAXGHYZAPGESK-SECBINFHSA-N -1 3 350.849 2.588 20 5 FFBDHM CC(C)c1nnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000272161707 511450941 /nfs/dbraw/zinc/45/09/41/511450941.db2.gz HWGUKQGOYTXEMO-SECBINFHSA-N -1 3 353.329 2.806 20 5 FFBDHM CC(C)c1nc([C@@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272161707 511450945 /nfs/dbraw/zinc/45/09/45/511450945.db2.gz HWGUKQGOYTXEMO-SECBINFHSA-N -1 3 353.329 2.806 20 5 FFBDHM CCc1ccc([C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000280792111 511604372 /nfs/dbraw/zinc/60/43/72/511604372.db2.gz OZKPSSDLQOUJEQ-INIZCTEOSA-N -1 3 357.410 2.896 20 5 FFBDHM Cc1ccnc([N-]c2cnn(-c3ccccc3S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000301310240 511693474 /nfs/dbraw/zinc/69/34/74/511693474.db2.gz ZCKSEGAAKWAAIV-UHFFFAOYSA-N -1 3 373.394 2.631 20 5 FFBDHM NC(=O)c1ccc(SCc2nc(-c3ccc([O-])cc3)no2)c([N+](=O)[O-])c1 ZINC000350584841 511846926 /nfs/dbraw/zinc/84/69/26/511846926.db2.gz PHIVSBXPBQWCDO-UHFFFAOYSA-N -1 3 372.362 2.742 20 5 FFBDHM COc1cc(C(=O)[N-]c2nnc(-c3c[nH]nc3C)s2)cc([N+](=O)[O-])c1C ZINC000364331392 512088859 /nfs/dbraw/zinc/08/88/59/512088859.db2.gz KGTLQNRUSKURSZ-UHFFFAOYSA-N -1 3 374.382 2.714 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(OCCN2CCCC2)cc1 ZINC000434495711 513342593 /nfs/dbraw/zinc/34/25/93/513342593.db2.gz YIVLTYPVILXWDL-UHFFFAOYSA-N -1 3 358.398 2.674 20 5 FFBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413099397 513444159 /nfs/dbraw/zinc/44/41/59/513444159.db2.gz GGLRVNPUQVDALT-UHFFFAOYSA-N -1 3 360.345 2.551 20 5 FFBDHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000451332411 513682379 /nfs/dbraw/zinc/68/23/79/513682379.db2.gz VXHSZJLBQLWCFU-LBPRGKRZSA-N -1 3 370.287 2.862 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)cc1C ZINC000416500683 513804792 /nfs/dbraw/zinc/80/47/92/513804792.db2.gz DROCEZIZEOWAKF-CYBMUJFWSA-N -1 3 356.444 2.695 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC)C1CCC1 ZINC000416561506 513835618 /nfs/dbraw/zinc/83/56/18/513835618.db2.gz TZXWXHJBFZQHOT-AWEZNQCLSA-N -1 3 370.427 2.629 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)cc1C ZINC000431282868 513864396 /nfs/dbraw/zinc/86/43/96/513864396.db2.gz MQQRSOBDOWZRBE-UHFFFAOYSA-N -1 3 362.407 2.720 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000416639993 513882261 /nfs/dbraw/zinc/88/22/61/513882261.db2.gz BGTSJRDTWQOHNB-QMMMGPOBSA-N -1 3 350.318 2.692 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000431626621 513948853 /nfs/dbraw/zinc/94/88/53/513948853.db2.gz WMRVZXFXQBZORT-MQMHXKEQSA-N -1 3 350.371 2.958 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(=O)OC)c2[O-])c1 ZINC000436701899 513949448 /nfs/dbraw/zinc/94/94/48/513949448.db2.gz FZZUJDMXBUMPRE-UHFFFAOYSA-N -1 3 360.322 2.738 20 5 FFBDHM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451810148 513995101 /nfs/dbraw/zinc/99/51/01/513995101.db2.gz OGUHOGQUQAUKCN-UHFFFAOYSA-N -1 3 369.830 2.863 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1nc2cccnc2s1 ZINC000431780805 513999806 /nfs/dbraw/zinc/99/98/06/513999806.db2.gz HIJMKJDJYQNJJN-UHFFFAOYSA-N -1 3 366.362 2.664 20 5 FFBDHM COc1cc(C[NH2+]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c([N+](=O)[O-])cc1[O-] ZINC000426635464 514002421 /nfs/dbraw/zinc/00/24/21/514002421.db2.gz AULRZSIISAWKEH-DIFFPNOSSA-N -1 3 352.387 2.680 20 5 FFBDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436874172 514016045 /nfs/dbraw/zinc/01/60/45/514016045.db2.gz ZSLKGOZDIRKQMP-KRWDZBQOSA-N -1 3 355.394 2.867 20 5 FFBDHM O=C([O-])[C@@H](CN1CCCc2ccccc21)NCc1ccc([N+](=O)[O-])cc1 ZINC000426756065 514034728 /nfs/dbraw/zinc/03/47/28/514034728.db2.gz HPUHRSSSUHWIDI-QGZVFWFLSA-N -1 3 355.394 2.590 20 5 FFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Br)o1 ZINC000426787711 514042340 /nfs/dbraw/zinc/04/23/40/514042340.db2.gz HEEZWSJWZJYKIZ-LBPRGKRZSA-N -1 3 369.171 2.736 20 5 FFBDHM C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CN1Cc1ccccc1 ZINC000436971277 514056269 /nfs/dbraw/zinc/05/62/69/514056269.db2.gz IHEKLUWZQUEGQM-UKRRQHHQSA-N -1 3 355.394 2.693 20 5 FFBDHM COc1nc(NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[n-]1 ZINC000426931778 514077449 /nfs/dbraw/zinc/07/74/49/514077449.db2.gz KQAZWQRWRWJLRG-UHFFFAOYSA-N -1 3 369.337 2.553 20 5 FFBDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452063816 514170037 /nfs/dbraw/zinc/17/00/37/514170037.db2.gz CHRUWHVYOLRVTN-CHWSQXEVSA-N -1 3 362.835 2.874 20 5 FFBDHM CCOc1nc2ccc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc2[n-]1 ZINC000420496461 514173387 /nfs/dbraw/zinc/17/33/87/514173387.db2.gz ZJOGIJDFTGMPMY-UHFFFAOYSA-N -1 3 369.341 2.629 20 5 FFBDHM COc1cc(CN[C@@H]2CCN(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000414562831 514181783 /nfs/dbraw/zinc/18/17/83/514181783.db2.gz BBYMZKBSTXHEAJ-CQSZACIVSA-N -1 3 361.373 2.817 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)cn1 ZINC000439193814 514506166 /nfs/dbraw/zinc/50/61/66/514506166.db2.gz XSPYEGJNFWIBRX-SNVBAGLBSA-N -1 3 355.803 2.991 20 5 FFBDHM Cc1ccc(-c2nnc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)[n-]2)o1 ZINC000479466867 514593844 /nfs/dbraw/zinc/59/38/44/514593844.db2.gz WEAVPAQNWFIXRH-UHFFFAOYSA-N -1 3 366.337 2.875 20 5 FFBDHM Cc1ccc(-c2n[n-]c(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n2)o1 ZINC000479466867 514593847 /nfs/dbraw/zinc/59/38/47/514593847.db2.gz WEAVPAQNWFIXRH-UHFFFAOYSA-N -1 3 366.337 2.875 20 5 FFBDHM Cc1ccc(-c2nc(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)n[n-]2)o1 ZINC000479466867 514593848 /nfs/dbraw/zinc/59/38/48/514593848.db2.gz WEAVPAQNWFIXRH-UHFFFAOYSA-N -1 3 366.337 2.875 20 5 FFBDHM COc1cc(OC)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000484245757 514600140 /nfs/dbraw/zinc/60/01/40/514600140.db2.gz KPEANEWKKLURKF-UHFFFAOYSA-N -1 3 353.718 2.618 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000475564097 514715832 /nfs/dbraw/zinc/71/58/32/514715832.db2.gz KZRXXYYKBYHKPL-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000475564097 514715840 /nfs/dbraw/zinc/71/58/40/514715840.db2.gz KZRXXYYKBYHKPL-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000475564097 514715845 /nfs/dbraw/zinc/71/58/45/514715845.db2.gz KZRXXYYKBYHKPL-UHFFFAOYSA-N -1 3 358.280 2.670 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C12CCCC2 ZINC000467074839 514889017 /nfs/dbraw/zinc/88/90/17/514889017.db2.gz MXEGJHDADBHTJG-QWHCGFSZSA-N -1 3 374.484 2.981 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000467394259 514992960 /nfs/dbraw/zinc/99/29/60/514992960.db2.gz OKPKUBUJOMYLPI-GWCFXTLKSA-N -1 3 362.473 2.838 20 5 FFBDHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000462322697 514994405 /nfs/dbraw/zinc/99/44/05/514994405.db2.gz ZQEWEWOKGMVSOY-UHFFFAOYSA-N -1 3 358.416 2.613 20 5 FFBDHM CC(=O)Nc1ccc(Cl)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485366793 515010603 /nfs/dbraw/zinc/01/06/03/515010603.db2.gz HBQPNCHEZNZRKC-UHFFFAOYSA-N -1 3 350.718 2.560 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@](C)(O)C2CCCCC2)c1C ZINC000480871369 515120110 /nfs/dbraw/zinc/12/01/10/515120110.db2.gz UTMZKPBUOPXYDL-QGZVFWFLSA-N -1 3 370.471 2.821 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000481055712 515190271 /nfs/dbraw/zinc/19/02/71/515190271.db2.gz SQDIQFCPJVUWIP-UHFFFAOYSA-N -1 3 364.423 2.828 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)c1C ZINC000481485572 515343665 /nfs/dbraw/zinc/34/36/65/515343665.db2.gz YYGUNQJUPHDEQR-CYBMUJFWSA-N -1 3 358.460 2.677 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000463176089 515386172 /nfs/dbraw/zinc/38/61/72/515386172.db2.gz KHDFVUKWMNMOQI-FZKQIMNGSA-N -1 3 355.394 2.551 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CCc2ccco2)cc1[N+](=O)[O-] ZINC000491274245 515404464 /nfs/dbraw/zinc/40/44/64/515404464.db2.gz YLRMYKFKYAJVTR-JTQLQIEISA-N -1 3 372.374 2.635 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000491286069 515407102 /nfs/dbraw/zinc/40/71/02/515407102.db2.gz VLRSVZYXONSCCP-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM O=c1[n-]c(Cc2ccc([N+](=O)[O-])cc2Br)nc2cccnc12 ZINC000491681827 515464614 /nfs/dbraw/zinc/46/46/14/515464614.db2.gz WNYKZSXZCSPWHG-UHFFFAOYSA-N -1 3 361.155 2.992 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000491720167 515465411 /nfs/dbraw/zinc/46/54/11/515465411.db2.gz MDMDSBDYAMXTFQ-UWVGGRQHSA-N -1 3 360.407 2.846 20 5 FFBDHM CCN(c1ccc([O-])cc1)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000477510580 515483991 /nfs/dbraw/zinc/48/39/91/515483991.db2.gz XPNUSPKYVVUUJA-UHFFFAOYSA-N -1 3 352.368 2.524 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cc1C ZINC000510503808 515560267 /nfs/dbraw/zinc/56/02/67/515560267.db2.gz WOBOBIDCZWRMLX-UHFFFAOYSA-N -1 3 352.334 2.832 20 5 FFBDHM CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000477704998 515562021 /nfs/dbraw/zinc/56/20/21/515562021.db2.gz RMTBPMZOCPTTFO-UHFFFAOYSA-N -1 3 357.410 2.941 20 5 FFBDHM CCc1cnccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000486615781 515562756 /nfs/dbraw/zinc/56/27/56/515562756.db2.gz AGLJEVQLYYFTNW-UHFFFAOYSA-N -1 3 355.803 2.684 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000500121062 515599688 /nfs/dbraw/zinc/59/96/88/515599688.db2.gz JKZCYPNLQXYESI-UHFFFAOYSA-N -1 3 350.849 2.670 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[n-]c21 ZINC000494126990 515741341 /nfs/dbraw/zinc/74/13/41/515741341.db2.gz GKMLWWWRGJPEMF-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)nc21 ZINC000494126990 515741354 /nfs/dbraw/zinc/74/13/54/515741354.db2.gz GKMLWWWRGJPEMF-UHFFFAOYSA-N -1 3 358.285 2.649 20 5 FFBDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000469251787 515742402 /nfs/dbraw/zinc/74/24/02/515742402.db2.gz WSGVIVXKQPZOPL-LBPRGKRZSA-N -1 3 363.505 2.691 20 5 FFBDHM COC(=O)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(Cl)c1F ZINC000482650570 515752899 /nfs/dbraw/zinc/75/28/99/515752899.db2.gz VLNRZQQAHDLBHL-UHFFFAOYSA-N -1 3 369.692 2.527 20 5 FFBDHM CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000487136111 515772378 /nfs/dbraw/zinc/77/23/78/515772378.db2.gz KBCIQQBVPHGCCY-UHFFFAOYSA-N -1 3 372.443 2.612 20 5 FFBDHM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000511527321 515934973 /nfs/dbraw/zinc/93/49/73/515934973.db2.gz UVZHJWRIGRSGCP-UHFFFAOYSA-N -1 3 350.747 2.742 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000517601706 516380371 /nfs/dbraw/zinc/38/03/71/516380371.db2.gz XKQKBSLXACHVPC-UHFFFAOYSA-N -1 3 352.387 2.953 20 5 FFBDHM O=C(CCc1ccccc1O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000523551193 516504010 /nfs/dbraw/zinc/50/40/10/516504010.db2.gz KVZZURFCWJAGKS-UHFFFAOYSA-N -1 3 352.350 2.684 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000524020069 516628752 /nfs/dbraw/zinc/62/87/52/516628752.db2.gz DAJAWHSBPIWNDT-UHFFFAOYSA-N -1 3 372.443 2.621 20 5 FFBDHM COCCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2csc(C)n2)cc1OC ZINC000554778508 516632697 /nfs/dbraw/zinc/63/26/97/516632697.db2.gz BPBCXSAGDMEURE-UHFFFAOYSA-N -1 3 367.383 2.646 20 5 FFBDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000561561986 516655235 /nfs/dbraw/zinc/65/52/35/516655235.db2.gz DDQPDEHVFWUQSL-MGPLVRAMSA-N -1 3 366.370 2.676 20 5 FFBDHM O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000513611256 516688806 /nfs/dbraw/zinc/68/88/06/516688806.db2.gz HAMMZUUGLWIGOP-UHFFFAOYSA-N -1 3 364.774 2.666 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000518576270 516710238 /nfs/dbraw/zinc/71/02/38/516710238.db2.gz QXZNXIXRQZITRQ-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM COc1ncnc(OC)c1C(=O)[N-]c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541069326 516857369 /nfs/dbraw/zinc/85/73/69/516857369.db2.gz WTTUVIBFWQWQGS-UHFFFAOYSA-N -1 3 372.259 2.673 20 5 FFBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000544841378 516954708 /nfs/dbraw/zinc/95/47/08/516954708.db2.gz MXPXBNSWXUGZKL-MRVPVSSYSA-N -1 3 356.322 2.613 20 5 FFBDHM COC(=O)c1coc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000545358827 517195818 /nfs/dbraw/zinc/19/58/18/517195818.db2.gz OCWHBRCARQTEJC-UHFFFAOYSA-N -1 3 356.237 2.828 20 5 FFBDHM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000533553388 517521427 /nfs/dbraw/zinc/52/14/27/517521427.db2.gz FIUBPXUHNLJPEC-AWEZNQCLSA-N -1 3 370.814 2.569 20 5 FFBDHM COc1ccc(OCCN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000516091567 517563162 /nfs/dbraw/zinc/56/31/62/517563162.db2.gz LXNJGWFUVWPUQV-OUCADQQQSA-N -1 3 352.387 2.556 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)cc1C ZINC000546173943 517581563 /nfs/dbraw/zinc/58/15/63/517581563.db2.gz ZSQYTBXBSXEGOE-CQSZACIVSA-N -1 3 360.391 2.818 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000538537519 517661584 /nfs/dbraw/zinc/66/15/84/517661584.db2.gz PROVMFZQJJQJFL-KBPBESRZSA-N -1 3 356.444 2.775 20 5 FFBDHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000557009815 517803608 /nfs/dbraw/zinc/80/36/08/517803608.db2.gz ALCGVRXRCKIOGB-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543119105 517918689 /nfs/dbraw/zinc/91/86/89/517918689.db2.gz NAEKCHUKLOYHPS-UHFFFAOYSA-N -1 3 364.383 2.534 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000543119105 517918699 /nfs/dbraw/zinc/91/86/99/517918699.db2.gz NAEKCHUKLOYHPS-UHFFFAOYSA-N -1 3 364.383 2.534 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CCO)c1ccc(Cl)cc1 ZINC000553905839 517962755 /nfs/dbraw/zinc/96/27/55/517962755.db2.gz MZWFUNVZUQFLEU-ZDUSSCGKSA-N -1 3 370.814 2.650 20 5 FFBDHM COCc1ccccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000517098110 518024012 /nfs/dbraw/zinc/02/40/12/518024012.db2.gz WUBHATMKGVXKRI-UHFFFAOYSA-N -1 3 352.350 2.806 20 5 FFBDHM CC(C)(C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000547290840 518062471 /nfs/dbraw/zinc/06/24/71/518062471.db2.gz OHKNRPAXVYNAQM-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC(C)(C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000547290840 518062480 /nfs/dbraw/zinc/06/24/80/518062480.db2.gz OHKNRPAXVYNAQM-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM COc1ccc(C(=O)N=c2[nH][n-]c(C)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000569954747 518374461 /nfs/dbraw/zinc/37/44/61/518374461.db2.gz LYXAPWDZYBTKEL-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC000588095673 518722016 /nfs/dbraw/zinc/72/20/16/518722016.db2.gz BNCSEHWANLBAHD-UHFFFAOYSA-N -1 3 350.714 2.993 20 5 FFBDHM CCc1ccc([C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000567980642 518812390 /nfs/dbraw/zinc/81/23/90/518812390.db2.gz IFGRXUORUJAWDD-HNNXBMFYSA-N -1 3 358.398 2.965 20 5 FFBDHM COc1cc(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000580201958 519058447 /nfs/dbraw/zinc/05/84/47/519058447.db2.gz LIHRIFJGMQWCKG-JOYOIKCWSA-N -1 3 374.340 2.890 20 5 FFBDHM COc1cc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000583327726 519191405 /nfs/dbraw/zinc/19/14/05/519191405.db2.gz ASBZDVQHTOGNMD-IBGZPJMESA-N -1 3 356.378 2.832 20 5 FFBDHM O=C(c1cccc2[n-]nnc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583365522 519209267 /nfs/dbraw/zinc/20/92/67/519209267.db2.gz XBTNLGYOIALAAH-ZDUSSCGKSA-N -1 3 351.366 2.886 20 5 FFBDHM O=C(c1cccc2nn[n-]c21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583365522 519209279 /nfs/dbraw/zinc/20/92/79/519209279.db2.gz XBTNLGYOIALAAH-ZDUSSCGKSA-N -1 3 351.366 2.886 20 5 FFBDHM O=C(c1cccc2n[n-]nc21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000583365522 519209281 /nfs/dbraw/zinc/20/92/81/519209281.db2.gz XBTNLGYOIALAAH-ZDUSSCGKSA-N -1 3 351.366 2.886 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCN2CCCC[C@@H]12 ZINC000594484875 519995712 /nfs/dbraw/zinc/99/57/12/519995712.db2.gz WLDZUALZSZYCNI-STQMWFEESA-N -1 3 373.862 2.543 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000594781747 520154372 /nfs/dbraw/zinc/15/43/72/520154372.db2.gz UBCAUOPPPJVZLZ-JTQLQIEISA-N -1 3 371.365 2.857 20 5 FFBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594849591 520188106 /nfs/dbraw/zinc/18/81/06/520188106.db2.gz PNIVDPMVOOQBCE-UHFFFAOYSA-N -1 3 350.824 2.732 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])c1 ZINC000609320352 520276252 /nfs/dbraw/zinc/27/62/52/520276252.db2.gz ZHNAEJALLOFPOT-HNNXBMFYSA-N -1 3 362.407 2.878 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CC1 ZINC000609418607 520307557 /nfs/dbraw/zinc/30/75/57/520307557.db2.gz BLZBHOXHWIADGJ-QMMMGPOBSA-N -1 3 363.233 2.682 20 5 FFBDHM COc1cc(CN[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1[O-] ZINC000592378491 520359630 /nfs/dbraw/zinc/35/96/30/520359630.db2.gz APJJLSYDTQCISF-WCQYABFASA-N -1 3 366.414 2.909 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000609740657 520418980 /nfs/dbraw/zinc/41/89/80/520418980.db2.gz WUMTXTQDGVCRGD-UHFFFAOYSA-N -1 3 356.425 2.879 20 5 FFBDHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000595355537 520424751 /nfs/dbraw/zinc/42/47/51/520424751.db2.gz VZJFGSAXZYCBHF-IAGOWNOFSA-N -1 3 364.423 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c(F)c1 ZINC000604019671 520428797 /nfs/dbraw/zinc/42/87/97/520428797.db2.gz MGDDGJNQPJTNOW-CYBMUJFWSA-N -1 3 350.371 2.570 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)c(F)c1 ZINC000604036483 520433275 /nfs/dbraw/zinc/43/32/75/520433275.db2.gz MARMKXAAZCPPQR-UHFFFAOYSA-N -1 3 368.361 2.883 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000609824959 520447186 /nfs/dbraw/zinc/44/71/86/520447186.db2.gz SLFIXQQKEIFZMS-UHFFFAOYSA-N -1 3 356.444 2.921 20 5 FFBDHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000600801500 520476707 /nfs/dbraw/zinc/47/67/07/520476707.db2.gz QSIXIQLVFJOCPI-BLLLJJGKSA-N -1 3 358.398 2.538 20 5 FFBDHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000598195055 520486667 /nfs/dbraw/zinc/48/66/67/520486667.db2.gz KBGIEYZMUBZEMJ-QGZVFWFLSA-N -1 3 369.421 2.689 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)c1ccccc1 ZINC000610265341 520610952 /nfs/dbraw/zinc/61/09/52/520610952.db2.gz BPDBQAHWFNJOKM-IAGOWNOFSA-N -1 3 362.407 2.612 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000610265370 520611373 /nfs/dbraw/zinc/61/13/73/520611373.db2.gz FWJBUPIEPXTBGJ-SJORKVTESA-N -1 3 362.407 2.612 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1C ZINC000610266109 520612326 /nfs/dbraw/zinc/61/23/26/520612326.db2.gz UVDUDBLUKAKMMO-APHBMKBZSA-N -1 3 368.455 2.694 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C12CCC2 ZINC000610267050 520613104 /nfs/dbraw/zinc/61/31/04/520613104.db2.gz TZHJRHCCCLEFCU-HUUCEWRRSA-N -1 3 354.428 2.529 20 5 FFBDHM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598608630 520740935 /nfs/dbraw/zinc/74/09/35/520740935.db2.gz NXNYXAVSKDKXCD-UHFFFAOYSA-N -1 3 367.427 2.803 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000617870565 520764512 /nfs/dbraw/zinc/76/45/12/520764512.db2.gz YSHSBZHJTAIQHJ-SECBINFHSA-N -1 3 364.383 2.614 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000617870565 520764523 /nfs/dbraw/zinc/76/45/23/520764523.db2.gz YSHSBZHJTAIQHJ-SECBINFHSA-N -1 3 364.383 2.614 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000601454181 520793714 /nfs/dbraw/zinc/79/37/14/520793714.db2.gz XGKXXXSMINMHTA-INIZCTEOSA-N -1 3 372.418 2.526 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000618068292 520864607 /nfs/dbraw/zinc/86/46/07/520864607.db2.gz NHCUBXAVVRETJT-OAHLLOKOSA-N -1 3 367.471 2.507 20 5 FFBDHM CC1(C)CN(C2(CNc3cc[n-]c(=O)c3[N+](=O)[O-])CCCCC2)CCO1 ZINC000596118703 520923939 /nfs/dbraw/zinc/92/39/39/520923939.db2.gz AURKDDBRYXWNGZ-UHFFFAOYSA-N -1 3 364.446 2.921 20 5 FFBDHM O=c1[n-]ccc(N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)c1[N+](=O)[O-] ZINC000596179388 520955352 /nfs/dbraw/zinc/95/53/52/520955352.db2.gz PHVSGFSSVJQKBK-CYBMUJFWSA-N -1 3 367.308 2.875 20 5 FFBDHM O=C(Nc1cc(I)ccc1[O-])c1ccc([N+](=O)[O-])o1 ZINC000611156609 521014035 /nfs/dbraw/zinc/01/40/35/521014035.db2.gz MNWTWAQFRUMKIU-UHFFFAOYSA-N -1 3 374.090 2.750 20 5 FFBDHM CCN(c1cccc([O-])c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619468231 521584192 /nfs/dbraw/zinc/58/41/92/521584192.db2.gz JJPVYVPRMXIPBT-UHFFFAOYSA-N -1 3 352.368 2.524 20 5 FFBDHM CCc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000619476494 521589056 /nfs/dbraw/zinc/58/90/56/521589056.db2.gz CADVYVKIBLJQNV-UHFFFAOYSA-N -1 3 356.425 2.706 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1c2ccccc2C[C@H]1C ZINC000619483266 521591605 /nfs/dbraw/zinc/59/16/05/521591605.db2.gz GSMHQLFNWVEQNU-BZNIZROVSA-N -1 3 362.407 2.815 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)cc1C ZINC000619714772 521835150 /nfs/dbraw/zinc/83/51/50/521835150.db2.gz YLBUTPZLWHOXNK-INIZCTEOSA-N -1 3 368.455 2.839 20 5 FFBDHM Cn1[n-]c(=NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1OC(F)F ZINC000490993316 561441457 /nfs/dbraw/zinc/44/14/57/561441457.db2.gz YBLITCREDFDJBY-UHFFFAOYSA-N -1 3 365.296 2.592 20 5 FFBDHM Cn1[n-]c(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000491033862 561442191 /nfs/dbraw/zinc/44/21/91/561442191.db2.gz INRBFQTTWPVKQV-UHFFFAOYSA-N -1 3 354.313 2.846 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000736615034 598977589 /nfs/dbraw/zinc/97/75/89/598977589.db2.gz XAAPOLLWDYSQMI-HOTGVXAUSA-N -1 3 372.429 2.949 20 5 FFBDHM CCO[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000736615034 598977590 /nfs/dbraw/zinc/97/75/90/598977590.db2.gz XAAPOLLWDYSQMI-HOTGVXAUSA-N -1 3 372.429 2.949 20 5 FFBDHM CCc1ccc(OCCOc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736691117 599014532 /nfs/dbraw/zinc/01/45/32/599014532.db2.gz OEPFRRVJFUWENS-UHFFFAOYSA-N -1 3 355.354 2.795 20 5 FFBDHM CCc1ccc(OCCOc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736691117 599014534 /nfs/dbraw/zinc/01/45/34/599014534.db2.gz OEPFRRVJFUWENS-UHFFFAOYSA-N -1 3 355.354 2.795 20 5 FFBDHM CCc1ccc(OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC000736688227 599014342 /nfs/dbraw/zinc/01/43/42/599014342.db2.gz CIMZWORORUYDGT-UHFFFAOYSA-N -1 3 353.338 2.599 20 5 FFBDHM CCc1ccc(OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC000736688227 599014344 /nfs/dbraw/zinc/01/43/44/599014344.db2.gz CIMZWORORUYDGT-UHFFFAOYSA-N -1 3 353.338 2.599 20 5 FFBDHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821854463 599044439 /nfs/dbraw/zinc/04/44/39/599044439.db2.gz KIQIKNZDYSUFHZ-CYBMUJFWSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1ccc2c(c1)OCC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821854463 599044442 /nfs/dbraw/zinc/04/44/42/599044442.db2.gz KIQIKNZDYSUFHZ-CYBMUJFWSA-N -1 3 368.353 2.719 20 5 FFBDHM COc1ccc(O[C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821837276 599075031 /nfs/dbraw/zinc/07/50/31/599075031.db2.gz BYRFXINYCBRCFI-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM COc1ccc(O[C@H](C)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000821837276 599075034 /nfs/dbraw/zinc/07/50/34/599075034.db2.gz BYRFXINYCBRCFI-LLVKDONJSA-N -1 3 370.369 2.663 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccn(C2CCCC2)n1 ZINC000823629942 607307589 /nfs/dbraw/zinc/30/75/89/607307589.db2.gz MWLCRSBVICPWPN-UHFFFAOYSA-N -1 3 354.374 2.699 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccn(C2CCCC2)n1 ZINC000823629942 607307590 /nfs/dbraw/zinc/30/75/90/607307590.db2.gz MWLCRSBVICPWPN-UHFFFAOYSA-N -1 3 354.374 2.699 20 5 FFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1-c1nnn[n-]1 ZINC000822109026 607321130 /nfs/dbraw/zinc/32/11/30/607321130.db2.gz OWDRNXWYRLLGAY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1-c1nn[n-]n1 ZINC000822109026 607321131 /nfs/dbraw/zinc/32/11/31/607321131.db2.gz OWDRNXWYRLLGAY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCO[C@H](c2ccccc2)C1 ZINC000738358779 598311171 /nfs/dbraw/zinc/31/11/71/598311171.db2.gz OUHVFPPSBWJAIK-KRWDZBQOSA-N -1 3 366.381 2.743 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCO[C@H](c2ccccc2)C1 ZINC000738358779 598311172 /nfs/dbraw/zinc/31/11/72/598311172.db2.gz OUHVFPPSBWJAIK-KRWDZBQOSA-N -1 3 366.381 2.743 20 5 FFBDHM C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736116245 598498238 /nfs/dbraw/zinc/49/82/38/598498238.db2.gz LWHAWMHUQKXYAT-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736116245 598498239 /nfs/dbraw/zinc/49/82/39/598498239.db2.gz LWHAWMHUQKXYAT-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM CCc1c(C)sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000736675316 598517581 /nfs/dbraw/zinc/51/75/81/598517581.db2.gz KFLZWLXDFOWRQK-UHFFFAOYSA-N -1 3 372.410 2.888 20 5 FFBDHM CCc1c(C)sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000736675316 598517583 /nfs/dbraw/zinc/51/75/83/598517583.db2.gz KFLZWLXDFOWRQK-UHFFFAOYSA-N -1 3 372.410 2.888 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H]1CCOc2ccccc21 ZINC000738357961 598538420 /nfs/dbraw/zinc/53/84/20/598538420.db2.gz JJCVZSROGHGGGS-LBPRGKRZSA-N -1 3 352.354 2.753 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H]1CCOc2ccccc21 ZINC000738357961 598538422 /nfs/dbraw/zinc/53/84/22/598538422.db2.gz JJCVZSROGHGGGS-LBPRGKRZSA-N -1 3 352.354 2.753 20 5 FFBDHM C[C@@H](O)CC(C)(C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820475054 599585168 /nfs/dbraw/zinc/58/51/68/599585168.db2.gz XPXPZNSSHSNLCW-SNVBAGLBSA-N -1 3 371.401 2.532 20 5 FFBDHM C[C@@H](O)CC(C)(C)CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820475054 599585170 /nfs/dbraw/zinc/58/51/70/599585170.db2.gz XPXPZNSSHSNLCW-SNVBAGLBSA-N -1 3 371.401 2.532 20 5 FFBDHM C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820390769 599635206 /nfs/dbraw/zinc/63/52/06/599635206.db2.gz JQXSTRFTECHQOX-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM C[C@H](NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820390769 599635207 /nfs/dbraw/zinc/63/52/07/599635207.db2.gz JQXSTRFTECHQOX-QMMMGPOBSA-N -1 3 374.307 2.544 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826250389 607430835 /nfs/dbraw/zinc/43/08/35/607430835.db2.gz YNRYLKOQLJDMKY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826250389 607430837 /nfs/dbraw/zinc/43/08/37/607430837.db2.gz YNRYLKOQLJDMKY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC000826450817 607523519 /nfs/dbraw/zinc/52/35/19/607523519.db2.gz FGNVEAUNNAUSDB-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccccc1F ZINC000826450817 607523520 /nfs/dbraw/zinc/52/35/20/607523520.db2.gz FGNVEAUNNAUSDB-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM CC(C)(C)SCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824123365 607524323 /nfs/dbraw/zinc/52/43/23/607524323.db2.gz GDNYHPGOIBSSCR-UHFFFAOYSA-N -1 3 370.822 2.899 20 5 FFBDHM CC(C)(C)SCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824123365 607524324 /nfs/dbraw/zinc/52/43/24/607524324.db2.gz GDNYHPGOIBSSCR-UHFFFAOYSA-N -1 3 370.822 2.899 20 5 FFBDHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820643117 606138693 /nfs/dbraw/zinc/13/86/93/606138693.db2.gz QFLIBLWLSVXZRJ-OCCSQVGLSA-N -1 3 365.397 2.627 20 5 FFBDHM C[C@@H]1[C@H](Cc2ccccc2)CCN1c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820643117 606138694 /nfs/dbraw/zinc/13/86/94/606138694.db2.gz QFLIBLWLSVXZRJ-OCCSQVGLSA-N -1 3 365.397 2.627 20 5 FFBDHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823070630 606329942 /nfs/dbraw/zinc/32/99/42/606329942.db2.gz IDPVXCQYLUURSE-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1cc([N+](=O)[O-])ccc1F ZINC000823070630 606329944 /nfs/dbraw/zinc/32/99/44/606329944.db2.gz IDPVXCQYLUURSE-UHFFFAOYSA-N -1 3 374.357 2.645 20 5 FFBDHM CN(C(=O)c1csc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574382 606414822 /nfs/dbraw/zinc/41/48/22/606414822.db2.gz DRGRVHVFQAKYJF-UHFFFAOYSA-N -1 3 364.774 2.766 20 5 FFBDHM CN(C(=O)c1csc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574382 606414824 /nfs/dbraw/zinc/41/48/24/606414824.db2.gz DRGRVHVFQAKYJF-UHFFFAOYSA-N -1 3 364.774 2.766 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000822220586 606630302 /nfs/dbraw/zinc/63/03/02/606630302.db2.gz XSJNRXXETFODBW-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000822220586 606630304 /nfs/dbraw/zinc/63/03/04/606630304.db2.gz XSJNRXXETFODBW-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820327034 606684085 /nfs/dbraw/zinc/68/40/85/606684085.db2.gz DJGSJOXBOZCLFS-LBPRGKRZSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327034 606684086 /nfs/dbraw/zinc/68/40/86/606684086.db2.gz DJGSJOXBOZCLFS-LBPRGKRZSA-N -1 3 366.381 2.585 20 5 FFBDHM O=[N+]([O-])c1ccc(N(Cc2ccco2)C[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000823640047 607042443 /nfs/dbraw/zinc/04/24/43/607042443.db2.gz QIJQADVDYCOBTM-AWEZNQCLSA-N -1 3 370.369 2.554 20 5 FFBDHM O=[N+]([O-])c1ccc(N(Cc2ccco2)C[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000823640047 607042444 /nfs/dbraw/zinc/04/24/44/607042444.db2.gz QIJQADVDYCOBTM-AWEZNQCLSA-N -1 3 370.369 2.554 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826498108 607872482 /nfs/dbraw/zinc/87/24/82/607872482.db2.gz HSXSHFWINSCMDE-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826498108 607872483 /nfs/dbraw/zinc/87/24/83/607872483.db2.gz HSXSHFWINSCMDE-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)c(-c2nnn[n-]2)c1 ZINC000826499064 608099174 /nfs/dbraw/zinc/09/91/74/608099174.db2.gz UOPSRKYXOGPDIX-FRRDWIJNSA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3SCCS[C@H]23)c(-c2nn[n-]n2)c1 ZINC000826499064 608099175 /nfs/dbraw/zinc/09/91/75/608099175.db2.gz UOPSRKYXOGPDIX-FRRDWIJNSA-N -1 3 364.456 2.566 20 5 FFBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464134 608143722 /nfs/dbraw/zinc/14/37/22/608143722.db2.gz JVKNDXYUUVKILI-UHFFFAOYSA-N -1 3 371.378 2.724 20 5 FFBDHM O=C(OCCSc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464134 608143723 /nfs/dbraw/zinc/14/37/23/608143723.db2.gz JVKNDXYUUVKILI-UHFFFAOYSA-N -1 3 371.378 2.724 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000825829985 608159825 /nfs/dbraw/zinc/15/98/25/608159825.db2.gz NGTXOZWBXPTMAN-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000825829985 608159827 /nfs/dbraw/zinc/15/98/27/608159827.db2.gz NGTXOZWBXPTMAN-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824479403 608432939 /nfs/dbraw/zinc/43/29/39/608432939.db2.gz MZEZDHVCEVUUKU-WEHUKYGOSA-N -1 3 364.365 2.666 20 5 FFBDHM C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824479403 608432940 /nfs/dbraw/zinc/43/29/40/608432940.db2.gz MZEZDHVCEVUUKU-WEHUKYGOSA-N -1 3 364.365 2.666 20 5 FFBDHM O=[N+]([O-])c1ccsc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826500895 608583122 /nfs/dbraw/zinc/58/31/22/608583122.db2.gz QVUAEGSHEZPRPP-UHFFFAOYSA-N -1 3 372.410 2.884 20 5 FFBDHM CN(Cc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000825954148 609171567 /nfs/dbraw/zinc/17/15/67/609171567.db2.gz XITVPVSXPRZYFX-UHFFFAOYSA-N -1 3 364.287 2.829 20 5 FFBDHM CN(Cc1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000825954148 609171569 /nfs/dbraw/zinc/17/15/69/609171569.db2.gz XITVPVSXPRZYFX-UHFFFAOYSA-N -1 3 364.287 2.829 20 5 FFBDHM COCC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000826155055 609323105 /nfs/dbraw/zinc/32/31/05/609323105.db2.gz FATYYPLUYHJFPU-CYBMUJFWSA-N -1 3 358.358 2.866 20 5 FFBDHM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000826155055 609323107 /nfs/dbraw/zinc/32/31/07/609323107.db2.gz FATYYPLUYHJFPU-CYBMUJFWSA-N -1 3 358.358 2.866 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000537546692 673393358 /nfs/dbraw/zinc/39/33/58/673393358.db2.gz UEUQJSOHTCFYNG-VIFPVBQESA-N -1 3 364.383 2.614 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000537546692 673393362 /nfs/dbraw/zinc/39/33/62/673393362.db2.gz UEUQJSOHTCFYNG-VIFPVBQESA-N -1 3 364.383 2.614 20 5 FFBDHM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000134501905 728730605 /nfs/dbraw/zinc/73/06/05/728730605.db2.gz FNWNTSAGQYCGDN-AWEZNQCLSA-N -1 3 370.814 2.569 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c1 ZINC000856748172 730354212 /nfs/dbraw/zinc/35/42/12/730354212.db2.gz ZBNNNHWLJXQDFW-MRVPVSSYSA-N -1 3 354.762 2.880 20 5 FFBDHM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCC1 ZINC000859347819 730451113 /nfs/dbraw/zinc/45/11/13/730451113.db2.gz HIGAIMHUFNUUCQ-CYBMUJFWSA-N -1 3 373.862 2.543 20 5 FFBDHM O=C([N-]OC1CCOCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897428002 735233123 /nfs/dbraw/zinc/23/31/23/735233123.db2.gz SEEXFWXMZIYFGU-UHFFFAOYSA-N -1 3 353.133 2.881 20 5 FFBDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000752978065 736027560 /nfs/dbraw/zinc/02/75/60/736027560.db2.gz IJMZMZINAOKPGE-UHFFFAOYSA-N -1 3 362.729 2.649 20 5 FFBDHM Cc1nc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000764272860 737006986 /nfs/dbraw/zinc/00/69/86/737006986.db2.gz DZRJEBFZKGGRBC-UHFFFAOYSA-N -1 3 357.757 2.812 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(C)cc(Cl)n2)cc1[N+](=O)[O-] ZINC000800152922 740492808 /nfs/dbraw/zinc/49/28/08/740492808.db2.gz KWMWROOJOLZEFY-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809917289 741360657 /nfs/dbraw/zinc/36/06/57/741360657.db2.gz IBXNJBCEUXUNDU-UHFFFAOYSA-N -1 3 364.671 2.707 20 5 FFBDHM C[C@@]1(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000832365912 745684407 /nfs/dbraw/zinc/68/44/07/745684407.db2.gz XEEHMAPXQZDNKQ-SECBINFHSA-N -1 3 359.256 2.909 20 5 FFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837681681 746498646 /nfs/dbraw/zinc/49/86/46/746498646.db2.gz KSJPXYVSGYOWRD-UHFFFAOYSA-N -1 3 363.757 2.907 20 5 FFBDHM CCc1noc(C)c1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848591468 748968743 /nfs/dbraw/zinc/96/87/43/748968743.db2.gz UPMHODNDGBVWAM-UHFFFAOYSA-N -1 3 355.297 2.742 20 5 FFBDHM CC(C)(C)OC(=O)N(CCCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000853161536 750019667 /nfs/dbraw/zinc/01/96/67/750019667.db2.gz RTVHUQIYPDSEFG-UHFFFAOYSA-N -1 3 352.391 2.897 20 5 FFBDHM CC(C)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])ONC(=O)OC(C)(C)C ZINC000853694985 750137363 /nfs/dbraw/zinc/13/73/63/750137363.db2.gz XGTOPDICTYVWCF-LLVKDONJSA-N -1 3 356.379 2.588 20 5 FFBDHM CC(=CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000785096375 945269330 /nfs/dbraw/zinc/26/93/30/945269330.db2.gz AJRWCAPSFMGPNQ-PKNBQFBNSA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000785096375 945269339 /nfs/dbraw/zinc/26/93/39/945269339.db2.gz AJRWCAPSFMGPNQ-PKNBQFBNSA-N -1 3 350.338 2.817 20 5 FFBDHM CC(=CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823942822 946524347 /nfs/dbraw/zinc/52/43/47/946524347.db2.gz JWJKDOBXYQDBJW-KHPPLWFESA-N -1 3 351.322 2.784 20 5 FFBDHM CC(=CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823942822 946524350 /nfs/dbraw/zinc/52/43/50/946524350.db2.gz JWJKDOBXYQDBJW-KHPPLWFESA-N -1 3 351.322 2.784 20 5 FFBDHM Cc1cc(C)c(-c2nnn[n-]2)c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000826263365 947761933 /nfs/dbraw/zinc/76/19/33/947761933.db2.gz XMNAOEYLFNMXNX-CYBMUJFWSA-N -1 3 372.410 2.612 20 5 FFBDHM Cc1cc(C)c(-c2nn[n-]n2)c(SC[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000826263365 947761940 /nfs/dbraw/zinc/76/19/40/947761940.db2.gz XMNAOEYLFNMXNX-CYBMUJFWSA-N -1 3 372.410 2.612 20 5 FFBDHM CN(CCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)Cc1ccncc1 ZINC000910378042 981927739 /nfs/dbraw/zinc/92/77/39/981927739.db2.gz DVZUHJWRWFEYSL-UHFFFAOYSA-N -1 3 358.398 2.646 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001272507369 987118037 /nfs/dbraw/zinc/11/80/37/987118037.db2.gz ZQQQJCRPTUNYSQ-UHFFFAOYSA-N -1 3 359.220 2.508 20 5 FFBDHM CS[C@@H]1CCCCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001599789647 987985125 /nfs/dbraw/zinc/98/51/25/987985125.db2.gz VVMNNLCBJBHRNY-CYBMUJFWSA-N -1 3 354.428 2.776 20 5 FFBDHM O=C([O-])Cc1ccc(N2CCN(CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000844206343 997725550 /nfs/dbraw/zinc/72/55/50/997725550.db2.gz GHDMZVDUAPTLCA-UHFFFAOYSA-N -1 3 361.442 2.924 20 5 FFBDHM COc1c([O-])ccc(C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599344405 997977224 /nfs/dbraw/zinc/97/72/24/997977224.db2.gz HXOSPPBEADXRCW-SWLSCSKDSA-N -1 3 374.393 2.731 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\C2CC2)c(Br)c1 ZINC001324486771 999960868 /nfs/dbraw/zinc/96/08/68/999960868.db2.gz BFCSLVPWRKZBFF-UPHRSURJSA-N -1 3 361.217 2.602 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1c2ccccc2OC[C@H]1F ZINC001194681385 1004792097 /nfs/dbraw/zinc/79/20/97/1004792097.db2.gz MHKGRJUWXJGXLQ-DOMZBBRYSA-N -1 3 366.370 2.653 20 5 FFBDHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853443665 1006392364 /nfs/dbraw/zinc/39/23/64/1006392364.db2.gz DPKAXYFEKVBEPL-NWDGAFQWSA-N -1 3 366.418 2.825 20 5 FFBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC000853679372 1006502907 /nfs/dbraw/zinc/50/29/07/1006502907.db2.gz WQYNXOWBJCDZEM-NWDGAFQWSA-N -1 3 366.418 2.683 20 5 FFBDHM O=c1[n-]ccc(N2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1[N+](=O)[O-] ZINC000853682444 1006503421 /nfs/dbraw/zinc/50/34/21/1006503421.db2.gz DOPYTFNYPRHSME-INIZCTEOSA-N -1 3 365.336 2.924 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000854199970 1006721498 /nfs/dbraw/zinc/72/14/98/1006721498.db2.gz KEFAVAYFLFMTQJ-UHFFFAOYSA-N -1 3 373.434 2.985 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC001189177755 1006935349 /nfs/dbraw/zinc/93/53/49/1006935349.db2.gz HQEMAZWLBJGVTA-INIZCTEOSA-N -1 3 374.434 2.652 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c([N+](=O)[O-])s1 ZINC001189322002 1007023853 /nfs/dbraw/zinc/02/38/53/1007023853.db2.gz WFCZDNRTJVQOTN-NSHDSACASA-N -1 3 372.399 2.906 20 5 FFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(-c2nnn[n-]2)c1 ZINC001136072956 1007824540 /nfs/dbraw/zinc/82/45/40/1007824540.db2.gz MPRPEWJKDJPMNO-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(-c2nn[n-]n2)c1 ZINC001136072956 1007824550 /nfs/dbraw/zinc/82/45/50/1007824550.db2.gz MPRPEWJKDJPMNO-UHFFFAOYSA-N -1 3 372.772 3.000 20 5 FFBDHM CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000856794263 1007976801 /nfs/dbraw/zinc/97/68/01/1007976801.db2.gz PKQYZMMGKVVLDZ-GTNSWQLSSA-N -1 3 364.402 2.579 20 5 FFBDHM O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)cc1)c1ccccc1 ZINC000794626444 1010446621 /nfs/dbraw/zinc/44/66/21/1010446621.db2.gz ZJKCFUBFPBTKPN-UHFFFAOYSA-N -1 3 352.306 2.789 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cccc3nc4ccccc4nc32)[n-]n1 ZINC001153863236 1028031995 /nfs/dbraw/zinc/03/19/95/1028031995.db2.gz MKBOUBLXAIPWCE-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM CCOC(=O)c1cc(NC(=O)c2cccc3nc4ccccc4nc32)n[n-]1 ZINC001153863236 1028032003 /nfs/dbraw/zinc/03/20/03/1028032003.db2.gz MKBOUBLXAIPWCE-UHFFFAOYSA-N -1 3 361.361 2.935 20 5 FFBDHM O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001164035879 1029152251 /nfs/dbraw/zinc/15/22/51/1029152251.db2.gz BYOQUCFZYLSNDM-QWHCGFSZSA-N -1 3 353.806 2.701 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](Oc3nccc([O-])c3[N+](=O)[O-])[C@H]2C1 ZINC001225664479 1034356628 /nfs/dbraw/zinc/35/66/28/1034356628.db2.gz OXPZSTKUSPRIIJ-GVXVVHGQSA-N -1 3 365.386 2.720 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2nnc(-c3cccnc3)[n-]2)C1 ZINC001228698117 1036266966 /nfs/dbraw/zinc/26/69/66/1036266966.db2.gz MXDKPWVCUFXBKW-LBPRGKRZSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2nc(-c3cccnc3)n[n-]2)C1 ZINC001228698117 1036266981 /nfs/dbraw/zinc/26/69/81/1036266981.db2.gz MXDKPWVCUFXBKW-LBPRGKRZSA-N -1 3 370.344 2.572 20 5 FFBDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2n[n-]c(-c3cccnc3)n2)C1 ZINC001228698117 1036266992 /nfs/dbraw/zinc/26/69/92/1036266992.db2.gz MXDKPWVCUFXBKW-LBPRGKRZSA-N -1 3 370.344 2.572 20 5 FFBDHM CCOC(=O)[C@H]1CC[C@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CO1 ZINC001233497822 1036661450 /nfs/dbraw/zinc/66/14/50/1036661450.db2.gz IFZFGDJXPYPALK-ISVAXAHUSA-N -1 3 369.761 2.614 20 5 FFBDHM CC(C)[N@@H+]1CC[C@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C1 ZINC001234125853 1036931877 /nfs/dbraw/zinc/93/18/77/1036931877.db2.gz YWHJTYOPJYQETG-LBPRGKRZSA-N -1 3 371.389 2.925 20 5 FFBDHM CC(C)[N@H+]1CC[C@H](Oc2cc([O-])cc3oc4c(O)ccc(=O)c-4c([O-])c23)C1 ZINC001234125853 1036931902 /nfs/dbraw/zinc/93/19/02/1036931902.db2.gz YWHJTYOPJYQETG-LBPRGKRZSA-N -1 3 371.389 2.925 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2ccccc2-c2nnn[n-]2)CC1 ZINC001229950258 1036996659 /nfs/dbraw/zinc/99/66/59/1036996659.db2.gz JPASOFIZTIAYJC-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2ccccc2-c2nn[n-]n2)CC1 ZINC001229950258 1036996671 /nfs/dbraw/zinc/99/66/71/1036996671.db2.gz JPASOFIZTIAYJC-UHFFFAOYSA-N -1 3 366.381 2.823 20 5 FFBDHM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc[n-]c(=O)c1-c1ccccc1 ZINC001234690383 1037142861 /nfs/dbraw/zinc/14/28/61/1037142861.db2.gz BCWONGLPPFOLEF-NSHDSACASA-N -1 3 355.354 2.730 20 5 FFBDHM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H](C(=O)c2ccccn2)c2ccccn2)n1 ZINC001231260195 1037515232 /nfs/dbraw/zinc/51/52/32/1037515232.db2.gz SAYIYMUIOYZGMP-QGZVFWFLSA-N -1 3 366.333 2.797 20 5 FFBDHM Cc1cc(=O)c([N+](=O)[O-])c(OC[C@H]2CN(Cc3ccccc3)CCCO2)[n-]1 ZINC001231265156 1037518254 /nfs/dbraw/zinc/51/82/54/1037518254.db2.gz ZFRCWTQHASFIRD-MRXNPFEDSA-N -1 3 373.409 2.674 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])s1 ZINC001209900562 1039282453 /nfs/dbraw/zinc/28/24/53/1039282453.db2.gz QMVNTMILYRULQE-ZDUSSCGKSA-N -1 3 370.452 2.757 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)c(Cl)c1 ZINC001309726870 1043498424 /nfs/dbraw/zinc/49/84/24/1043498424.db2.gz UEYHCJYXLBJNPY-DZGCQCFKSA-N -1 3 374.846 2.874 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001303257030 1051314634 /nfs/dbraw/zinc/31/46/34/1051314634.db2.gz NKWAPOCFNHPNAQ-FPYGCLRLSA-N -1 3 352.350 2.523 20 5 FFBDHM O=C(Nc1cccc(Cl)c1-n1cccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001544721633 1071683085 /nfs/dbraw/zinc/68/30/85/1071683085.db2.gz BGJFCYIOSAEYAY-UHFFFAOYSA-N -1 3 359.729 2.787 20 5 FFBDHM C[C@@](CO)(NC(=O)c1cc([O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001454712971 1059614473 /nfs/dbraw/zinc/61/44/73/1059614473.db2.gz UBDHWQBYPAUUNK-INIZCTEOSA-N -1 3 350.758 2.591 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])nc21 ZINC001546065445 1059629233 /nfs/dbraw/zinc/62/92/33/1059629233.db2.gz ONDHIOVXENMXGM-UHFFFAOYSA-N -1 3 372.312 2.578 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528516773 1061945970 /nfs/dbraw/zinc/94/59/70/1061945970.db2.gz ZGXOEGLYBZQNNH-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528516773 1061945995 /nfs/dbraw/zinc/94/59/95/1061945995.db2.gz ZGXOEGLYBZQNNH-UHFFFAOYSA-N -1 3 374.357 2.888 20 5 FFBDHM CCC(O)(CC)C(C)(C)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576998138 1078292958 /nfs/dbraw/zinc/29/29/58/1078292958.db2.gz AMLHIDOYYMBIHQ-UHFFFAOYSA-N -1 3 366.397 2.903 20 5 FFBDHM CCC(O)(CC)C(C)(C)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576998138 1078292959 /nfs/dbraw/zinc/29/29/59/1078292959.db2.gz AMLHIDOYYMBIHQ-UHFFFAOYSA-N -1 3 366.397 2.903 20 5 FFBDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001580933566 1078897091 /nfs/dbraw/zinc/89/70/91/1078897091.db2.gz SKNQGULKWTVNHM-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001580933566 1078897095 /nfs/dbraw/zinc/89/70/95/1078897095.db2.gz SKNQGULKWTVNHM-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc([N+](=O)[O-])c1 ZINC001580982586 1078902625 /nfs/dbraw/zinc/90/26/25/1078902625.db2.gz IUYPVEPNPSHKAS-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc([N+](=O)[O-])c1 ZINC001580982586 1078902633 /nfs/dbraw/zinc/90/26/33/1078902633.db2.gz IUYPVEPNPSHKAS-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1cc(NCCc2nc3ccccc3o2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581030282 1078908662 /nfs/dbraw/zinc/90/86/62/1078908662.db2.gz SCMGTIUJWTYIGW-UHFFFAOYSA-N -1 3 365.353 2.879 20 5 FFBDHM Cc1cc(NCCc2nc3ccccc3o2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581030282 1078908665 /nfs/dbraw/zinc/90/86/65/1078908665.db2.gz SCMGTIUJWTYIGW-UHFFFAOYSA-N -1 3 365.353 2.879 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001582803236 1079109044 /nfs/dbraw/zinc/10/90/44/1079109044.db2.gz AMAMMIGQXRCHFT-CZUORRHYSA-N -1 3 367.369 2.502 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC001582803236 1079109045 /nfs/dbraw/zinc/10/90/45/1079109045.db2.gz AMAMMIGQXRCHFT-CZUORRHYSA-N -1 3 367.369 2.502 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001582803976 1079110556 /nfs/dbraw/zinc/11/05/56/1079110556.db2.gz YKABFLVRLSWFSL-GOEBONIOSA-N -1 3 358.308 2.963 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N[C@H]1C[C@@]1(F)c1ccccc1 ZINC001582803976 1079110559 /nfs/dbraw/zinc/11/05/59/1079110559.db2.gz YKABFLVRLSWFSL-GOEBONIOSA-N -1 3 358.308 2.963 20 5 FFBDHM O=C([N-]OCc1ccccn1)c1c(Br)cccc1[N+](=O)[O-] ZINC001556953130 1075793324 /nfs/dbraw/zinc/79/33/24/1075793324.db2.gz POUVTIFLRQEMAD-UHFFFAOYSA-N -1 3 352.144 2.614 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])s1 ZINC001561497017 1076384431 /nfs/dbraw/zinc/38/44/31/1076384431.db2.gz GOWBRZKFVVOIKU-VXGBXAGGSA-N -1 3 362.473 2.837 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3O[C@H]2C)c([N+](=O)[O-])s1 ZINC001561621605 1076399692 /nfs/dbraw/zinc/39/96/92/1076399692.db2.gz WHYAVLWGMORTSE-TVQRCGJNSA-N -1 3 354.409 2.765 20 5 FFBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC001561746293 1076416615 /nfs/dbraw/zinc/41/66/15/1076416615.db2.gz VRFUTXSRQFRGSZ-SNVBAGLBSA-N -1 3 355.803 2.725 20 5 FFBDHM CCc1onc(C)c1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC001561959247 1076454369 /nfs/dbraw/zinc/45/43/69/1076454369.db2.gz QBXWGPCRFCCMFM-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001586484155 1079637103 /nfs/dbraw/zinc/63/71/03/1079637103.db2.gz LZHWZUGJTZKRMU-KSSFIOAISA-N -1 3 369.421 2.941 20 5 FFBDHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001589032194 1080315182 /nfs/dbraw/zinc/31/51/82/1080315182.db2.gz KAIRJSCEKCUYTA-VIFPVBQESA-N -1 3 357.301 2.623 20 5 FFBDHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC001589032194 1080315185 /nfs/dbraw/zinc/31/51/85/1080315185.db2.gz KAIRJSCEKCUYTA-VIFPVBQESA-N -1 3 357.301 2.623 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])C1(O)CCCC1 ZINC001589289217 1080466360 /nfs/dbraw/zinc/46/63/60/1080466360.db2.gz ZSGDKJGVWUMGMH-UHFFFAOYSA-N -1 3 364.381 2.657 20 5 FFBDHM CC(C)(CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])C1(O)CCCC1 ZINC001589289217 1080466363 /nfs/dbraw/zinc/46/63/63/1080466363.db2.gz ZSGDKJGVWUMGMH-UHFFFAOYSA-N -1 3 364.381 2.657 20 5 FFBDHM CC(C)c1ncc(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])s1 ZINC001589776943 1080732209 /nfs/dbraw/zinc/73/22/09/1080732209.db2.gz FLZGINZAJOKJKP-UHFFFAOYSA-N -1 3 374.382 2.712 20 5 FFBDHM CC(C)c1ncc(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])s1 ZINC001589776943 1080732221 /nfs/dbraw/zinc/73/22/21/1080732221.db2.gz FLZGINZAJOKJKP-UHFFFAOYSA-N -1 3 374.382 2.712 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001589803262 1080758994 /nfs/dbraw/zinc/75/89/94/1080758994.db2.gz MICLSAKPEXKFOK-HWPZZCPQSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001589803262 1080758999 /nfs/dbraw/zinc/75/89/99/1080758999.db2.gz MICLSAKPEXKFOK-HWPZZCPQSA-N -1 3 372.360 2.838 20 5 FFBDHM CC(F)(F)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001589908981 1080856224 /nfs/dbraw/zinc/85/62/24/1080856224.db2.gz UAFWPSYNKCQEDQ-UHFFFAOYSA-N -1 3 361.312 2.894 20 5 FFBDHM CC(F)(F)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001589908981 1080856227 /nfs/dbraw/zinc/85/62/27/1080856227.db2.gz UAFWPSYNKCQEDQ-UHFFFAOYSA-N -1 3 361.312 2.894 20 5 FFBDHM C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589978428 1080917419 /nfs/dbraw/zinc/91/74/19/1080917419.db2.gz RABMMVYUAPEEAQ-LLVKDONJSA-N -1 3 361.365 2.918 20 5 FFBDHM C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589978428 1080917425 /nfs/dbraw/zinc/91/74/25/1080917425.db2.gz RABMMVYUAPEEAQ-LLVKDONJSA-N -1 3 361.365 2.918 20 5 FFBDHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001590008862 1080935997 /nfs/dbraw/zinc/93/59/97/1080935997.db2.gz SPUGKVVWRGITBQ-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001590008862 1080935999 /nfs/dbraw/zinc/93/59/99/1080935999.db2.gz SPUGKVVWRGITBQ-NSHDSACASA-N -1 3 353.338 2.622 20 5 FFBDHM CC1(C)CCC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001590095676 1081008630 /nfs/dbraw/zinc/00/86/30/1081008630.db2.gz CEHNHVPEONZREG-KRWDZBQOSA-N -1 3 360.418 2.908 20 5 FFBDHM CC1(C)CCC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001590095676 1081008639 /nfs/dbraw/zinc/00/86/39/1081008639.db2.gz CEHNHVPEONZREG-KRWDZBQOSA-N -1 3 360.418 2.908 20 5 FFBDHM C[C@@]12CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C[C@@H]1C2(Cl)Cl ZINC001590155028 1081057430 /nfs/dbraw/zinc/05/74/30/1081057430.db2.gz GRHVRYZNHNFMHM-WCQYABFASA-N -1 3 369.212 2.795 20 5 FFBDHM C[C@@]12CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C[C@@H]1C2(Cl)Cl ZINC001590155028 1081057438 /nfs/dbraw/zinc/05/74/38/1081057438.db2.gz GRHVRYZNHNFMHM-WCQYABFASA-N -1 3 369.212 2.795 20 5 FFBDHM C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001590239901 1081114339 /nfs/dbraw/zinc/11/43/39/1081114339.db2.gz NOJXTGGTHKHIKJ-ZUFFMMDNSA-N -1 3 372.429 2.541 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000104760415 250185967 /nfs/dbraw/zinc/18/59/67/250185967.db2.gz SOALMFLWASCWJP-NSHDSACASA-N -1 3 371.440 2.798 20 5 FFBDHM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268772128 251379481 /nfs/dbraw/zinc/37/94/81/251379481.db2.gz YNADBKZSHSSAFM-MRXNPFEDSA-N -1 3 355.394 2.647 20 5 FFBDHM Cc1cc([C@@](C)(O)C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000272293670 252002521 /nfs/dbraw/zinc/00/25/21/252002521.db2.gz FVTWMDRQLVEIBQ-INIZCTEOSA-N -1 3 368.336 2.920 20 5 FFBDHM CCCc1nnc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)s1 ZINC000272607628 252079323 /nfs/dbraw/zinc/07/93/23/252079323.db2.gz WDXPGFXIKVNIFV-UHFFFAOYSA-N -1 3 350.385 2.656 20 5 FFBDHM C[C@@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ncn(C)n1 ZINC000275810924 256050231 /nfs/dbraw/zinc/05/02/31/256050231.db2.gz LORFRYHNPCJUQT-ZCFIWIBFSA-N -1 3 360.252 2.823 20 5 FFBDHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277844346 256246337 /nfs/dbraw/zinc/24/63/37/256246337.db2.gz JTCBIXIEKRQMDB-AWEZNQCLSA-N -1 3 359.338 2.506 20 5 FFBDHM COc1cc([N-]c2ncc([N+](=O)[O-])cn2)cc(OC)c1Br ZINC000302212744 258095931 /nfs/dbraw/zinc/09/59/31/258095931.db2.gz HIULQPMWRCLJTJ-UHFFFAOYSA-N -1 3 355.148 2.908 20 5 FFBDHM Cc1ccc(-n2cc([N-]c3ncc([N+](=O)[O-])cc3C(N)=O)cn2)c(C)c1 ZINC000302709327 258108542 /nfs/dbraw/zinc/10/85/42/258108542.db2.gz KRHMILQKEUFGBJ-UHFFFAOYSA-N -1 3 352.354 2.635 20 5 FFBDHM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000330382625 258162822 /nfs/dbraw/zinc/16/28/22/258162822.db2.gz JBRYBKPHXSQQMK-KWQFWETISA-N -1 3 363.233 2.824 20 5 FFBDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000331209637 258179657 /nfs/dbraw/zinc/17/96/57/258179657.db2.gz QOTXDYKBCQZJAN-JSGCOSHPSA-N -1 3 374.484 2.946 20 5 FFBDHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001367 506409303 /nfs/dbraw/zinc/40/93/03/506409303.db2.gz WYTIQEKOADIWEM-UHFFFAOYSA-N -1 3 356.425 2.922 20 5 FFBDHM COC(=O)c1cnc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000032494725 506259782 /nfs/dbraw/zinc/25/97/82/506259782.db2.gz LDMJZNNHDMOMCU-UHFFFAOYSA-N -1 3 353.381 2.812 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000409929563 512169705 /nfs/dbraw/zinc/16/97/05/512169705.db2.gz ACMVNPVLBDANQP-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000053671581 506427137 /nfs/dbraw/zinc/42/71/37/506427137.db2.gz CSBXUPOYYVBEFO-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COCCOc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000055727953 506836708 /nfs/dbraw/zinc/83/67/08/506836708.db2.gz DFEDDNZEXVAKFW-UHFFFAOYSA-N -1 3 374.328 2.888 20 5 FFBDHM CCOc1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000056071242 506925430 /nfs/dbraw/zinc/92/54/30/506925430.db2.gz QYARKEJTNKRBES-UHFFFAOYSA-N -1 3 350.396 2.780 20 5 FFBDHM COc1ccc(C)cc1[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000015331748 507033496 /nfs/dbraw/zinc/03/34/96/507033496.db2.gz WKENXDAFPJGHKQ-LBPRGKRZSA-N -1 3 350.396 2.951 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2cc(C)ccc21 ZINC000057019706 507151821 /nfs/dbraw/zinc/15/18/21/507151821.db2.gz DBLRUSSKCDQZIV-OAHLLOKOSA-N -1 3 362.407 2.878 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000023399178 507350355 /nfs/dbraw/zinc/35/03/55/507350355.db2.gz IHKWOOYENPDWNI-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM CCCCn1c(=O)[n-]nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000024963012 507453505 /nfs/dbraw/zinc/45/35/05/507453505.db2.gz XFTAXTVZUDVAAC-UHFFFAOYSA-N -1 3 365.415 2.731 20 5 FFBDHM COc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc(OC)c1OC ZINC000028064667 507706044 /nfs/dbraw/zinc/70/60/44/507706044.db2.gz VLRFGUBGEHGRPL-UHFFFAOYSA-N -1 3 372.337 2.749 20 5 FFBDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000063629500 507753761 /nfs/dbraw/zinc/75/37/61/507753761.db2.gz NPQMUMRDBPLKQV-UHFFFAOYSA-N -1 3 365.411 2.647 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1ccccc1 ZINC000030493966 507809380 /nfs/dbraw/zinc/80/93/80/507809380.db2.gz QRHRSXJVFHBUEP-UHFFFAOYSA-N -1 3 350.396 2.515 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000111358539 508093968 /nfs/dbraw/zinc/09/39/68/508093968.db2.gz DUAQTSFXKPUNRI-UKRRQHHQSA-N -1 3 362.407 2.685 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c(F)c1 ZINC000080800987 508105030 /nfs/dbraw/zinc/10/50/30/508105030.db2.gz BBTWFBHSGZRPFF-UHFFFAOYSA-N -1 3 360.313 2.533 20 5 FFBDHM Cc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1[N+](=O)[O-] ZINC000092937647 508108944 /nfs/dbraw/zinc/10/89/44/508108944.db2.gz NTGFJSDBVQWUNK-UHFFFAOYSA-N -1 3 355.394 2.567 20 5 FFBDHM CCc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1[O-] ZINC000081942320 508220687 /nfs/dbraw/zinc/22/06/87/508220687.db2.gz RLNPZLPTGHLEFW-UHFFFAOYSA-N -1 3 355.394 2.825 20 5 FFBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134204272 508507204 /nfs/dbraw/zinc/50/72/04/508507204.db2.gz ADLUVIABEPBZTO-UHFFFAOYSA-N -1 3 358.276 2.853 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000123369788 508676306 /nfs/dbraw/zinc/67/63/06/508676306.db2.gz ZILOFMUPJJNKSF-NEPJUHHUSA-N -1 3 356.400 2.938 20 5 FFBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000154056705 508707594 /nfs/dbraw/zinc/70/75/94/508707594.db2.gz VBDNPYKSIXPFHO-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000158738211 508746478 /nfs/dbraw/zinc/74/64/78/508746478.db2.gz VFNCMKNKIRAJKU-JTQLQIEISA-N -1 3 353.400 2.590 20 5 FFBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000154327504 508760956 /nfs/dbraw/zinc/76/09/56/508760956.db2.gz UUKNQOOAOINDFE-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM COc1ccccc1C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119278552 508763870 /nfs/dbraw/zinc/76/38/70/508763870.db2.gz ZMABHBPVOYPKOJ-UHFFFAOYSA-N -1 3 350.396 2.699 20 5 FFBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000119478360 508803728 /nfs/dbraw/zinc/80/37/28/508803728.db2.gz PCFLMNAJIBTZAL-UHFFFAOYSA-N -1 3 361.305 2.783 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1 ZINC000124843911 508893873 /nfs/dbraw/zinc/89/38/73/508893873.db2.gz UJIYDIOWRPJWBY-CYBMUJFWSA-N -1 3 356.425 2.631 20 5 FFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCS1 ZINC000126218628 509072354 /nfs/dbraw/zinc/07/23/54/509072354.db2.gz CWXMCGDNDUAMGW-LBPRGKRZSA-N -1 3 350.849 2.812 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000155833747 509078908 /nfs/dbraw/zinc/07/89/08/509078908.db2.gz AWNCROZOBBMQSH-UHFFFAOYSA-N -1 3 368.386 2.572 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000162003608 509168846 /nfs/dbraw/zinc/16/88/46/509168846.db2.gz KNKMHAMGDROSTC-AWEZNQCLSA-N -1 3 356.444 2.513 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(CCO)CCCCC2)cc1C ZINC000182492612 509267730 /nfs/dbraw/zinc/26/77/30/509267730.db2.gz LJUXOICOWXZPFX-UHFFFAOYSA-N -1 3 370.471 2.823 20 5 FFBDHM C[S@](=O)Cc1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000163682149 509410828 /nfs/dbraw/zinc/41/08/28/509410828.db2.gz LMNUPZPUSRPVRL-RUZDIDTESA-N -1 3 358.379 2.602 20 5 FFBDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000173370000 509558922 /nfs/dbraw/zinc/55/89/22/509558922.db2.gz ORTCMYDONOQAHQ-CQSZACIVSA-N -1 3 355.441 2.963 20 5 FFBDHM Cc1c([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cnn1C ZINC000176666397 509632712 /nfs/dbraw/zinc/63/27/12/509632712.db2.gz MFHQIUDONKNGSO-SECBINFHSA-N -1 3 372.834 2.638 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1COc2ccccc21 ZINC000167508659 509633299 /nfs/dbraw/zinc/63/32/99/509633299.db2.gz CQHQGEIEYKXPFT-GXFFZTMASA-N -1 3 366.370 2.577 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1F ZINC000189832523 509778100 /nfs/dbraw/zinc/77/81/00/509778100.db2.gz UVLMVOBSNLFHSV-UHFFFAOYSA-N -1 3 368.386 2.838 20 5 FFBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189982041 509865983 /nfs/dbraw/zinc/86/59/83/509865983.db2.gz QDMCHPZIINCQLD-NSHDSACASA-N -1 3 367.427 2.726 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)c1[N+](=O)[O-] ZINC000190017015 509886453 /nfs/dbraw/zinc/88/64/53/509886453.db2.gz QNJNPCJXPYFZGY-CQSZACIVSA-N -1 3 365.455 2.850 20 5 FFBDHM COCCC1(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CCC1 ZINC000190074004 509922672 /nfs/dbraw/zinc/92/26/72/509922672.db2.gz NXGKWRGEDMZJHN-UHFFFAOYSA-N -1 3 356.444 2.697 20 5 FFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OCC(F)F ZINC000193528355 509951152 /nfs/dbraw/zinc/95/11/52/509951152.db2.gz YNPLRHZDFNYQTP-UHFFFAOYSA-N -1 3 353.281 2.900 20 5 FFBDHM CC(C)c1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000190194005 509997610 /nfs/dbraw/zinc/99/76/10/509997610.db2.gz RZRYQGBAOUCENZ-UHFFFAOYSA-N -1 3 371.393 2.584 20 5 FFBDHM CCn1c2ccc(Cl)cc2nc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193799553 510078853 /nfs/dbraw/zinc/07/88/53/510078853.db2.gz IFZHBFZFLNOTHJ-UHFFFAOYSA-N -1 3 361.745 2.971 20 5 FFBDHM COc1ccsc1S(=O)(=O)[N-]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000177631960 510169951 /nfs/dbraw/zinc/16/99/51/510169951.db2.gz OFDBFDYDJXHSRI-UHFFFAOYSA-N -1 3 370.452 2.966 20 5 FFBDHM Cc1ccc(F)c(-c2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n[nH]2)c1 ZINC000194219517 510267236 /nfs/dbraw/zinc/26/72/36/510267236.db2.gz YGWATNBDGOFXPK-UHFFFAOYSA-N -1 3 357.301 2.785 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)cc1[N+](=O)[O-] ZINC000187601368 510349118 /nfs/dbraw/zinc/34/91/18/510349118.db2.gz KWTZROXTXCIVFN-CYBMUJFWSA-N -1 3 358.391 2.744 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000184500128 510358771 /nfs/dbraw/zinc/35/87/71/510358771.db2.gz MUXFMNKIDXHNEN-UHFFFAOYSA-N -1 3 367.452 2.940 20 5 FFBDHM Cc1nccc(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)n1 ZINC000187949604 510517278 /nfs/dbraw/zinc/51/72/78/510517278.db2.gz BDGBQDGAKJFXJN-UHFFFAOYSA-N -1 3 351.322 2.713 20 5 FFBDHM COc1ccc(OCCN2CCC[C@@H](CCC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263163285 510591494 /nfs/dbraw/zinc/59/14/94/510591494.db2.gz QYFGRHOMXXZEDW-ZDUSSCGKSA-N -1 3 352.387 2.559 20 5 FFBDHM CSc1nsc([N-]C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000175529565 510671171 /nfs/dbraw/zinc/67/11/71/510671171.db2.gz VVXTUHXXLNKLJS-UHFFFAOYSA-N -1 3 362.396 2.606 20 5 FFBDHM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)s1 ZINC000270698162 510955260 /nfs/dbraw/zinc/95/52/60/510955260.db2.gz XNZDIMRGDORKAF-UHFFFAOYSA-N -1 3 368.440 3.000 20 5 FFBDHM C[C@H]([N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1nncn1C ZINC000271623096 511265996 /nfs/dbraw/zinc/26/59/96/511265996.db2.gz MMNARIIMXPKOOD-LURJTMIESA-N -1 3 360.252 2.823 20 5 FFBDHM CC(C)c1nnc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000272161708 511451327 /nfs/dbraw/zinc/45/13/27/511451327.db2.gz HWGUKQGOYTXEMO-VIFPVBQESA-N -1 3 353.329 2.806 20 5 FFBDHM CC(C)c1nc([C@H](C)[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000272161708 511451330 /nfs/dbraw/zinc/45/13/30/511451330.db2.gz HWGUKQGOYTXEMO-VIFPVBQESA-N -1 3 353.329 2.806 20 5 FFBDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000365781839 511651077 /nfs/dbraw/zinc/65/10/77/511651077.db2.gz RBISUCHPKKCIGM-UHFFFAOYSA-N -1 3 357.757 2.718 20 5 FFBDHM O=C([N-]c1nnc2n1CCCC2)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293515308 511993709 /nfs/dbraw/zinc/99/37/09/511993709.db2.gz PUHRSXYESAJMPB-UHFFFAOYSA-N -1 3 355.276 2.794 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000398049516 512953944 /nfs/dbraw/zinc/95/39/44/512953944.db2.gz CRVUMRCUPZTSFS-PBHICJAKSA-N -1 3 369.421 2.941 20 5 FFBDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000368613191 513026360 /nfs/dbraw/zinc/02/63/60/513026360.db2.gz JDAUDIBSTXJAQX-HNNXBMFYSA-N -1 3 355.394 2.647 20 5 FFBDHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425000316 513360596 /nfs/dbraw/zinc/36/05/96/513360596.db2.gz BEHIXYGPZOMYEO-FUHWJXTLSA-N -1 3 367.405 2.647 20 5 FFBDHM CCC(CC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446938067 513363735 /nfs/dbraw/zinc/36/37/35/513363735.db2.gz HEHIYBUTSZHTFY-UHFFFAOYSA-N -1 3 351.222 2.824 20 5 FFBDHM CC(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446964553 513370517 /nfs/dbraw/zinc/37/05/17/513370517.db2.gz FAPCMWFGCOQSEH-UHFFFAOYSA-N -1 3 351.222 2.682 20 5 FFBDHM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000442741959 513764276 /nfs/dbraw/zinc/76/42/76/513764276.db2.gz BWHLXRPTSRBLSC-LLVKDONJSA-N -1 3 370.427 2.613 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 ZINC000436167704 513780488 /nfs/dbraw/zinc/78/04/88/513780488.db2.gz VRFHGSMSZPPARF-HNNXBMFYSA-N -1 3 368.386 2.708 20 5 FFBDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000416488950 513798556 /nfs/dbraw/zinc/79/85/56/513798556.db2.gz OLYWOLMPQMMZSA-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM COCC1CCC([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 ZINC000416598944 513858572 /nfs/dbraw/zinc/85/85/72/513858572.db2.gz VMSSPTHEOODNRQ-UHFFFAOYSA-N -1 3 356.444 2.695 20 5 FFBDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)CC(F)(F)F ZINC000416605822 513863204 /nfs/dbraw/zinc/86/32/04/513863204.db2.gz YRDDRSQJGORLES-SECBINFHSA-N -1 3 370.349 2.860 20 5 FFBDHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413885657 513865457 /nfs/dbraw/zinc/86/54/57/513865457.db2.gz XFPBKIWSBKDPEE-UHFFFAOYSA-N -1 3 372.381 2.500 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)cc1C ZINC000443244580 513909351 /nfs/dbraw/zinc/90/93/51/513909351.db2.gz YQTDOAVHUINTEE-MRXNPFEDSA-N -1 3 358.460 2.677 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000436624736 513922573 /nfs/dbraw/zinc/92/25/73/513922573.db2.gz CDAJSXHMHIDDJE-CYBMUJFWSA-N -1 3 371.393 2.606 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(CSC)CC1 ZINC000451707573 513927586 /nfs/dbraw/zinc/92/75/86/513927586.db2.gz LMZSNQCSAQUEPB-UHFFFAOYSA-N -1 3 374.484 2.804 20 5 FFBDHM COc1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c([O-])c1 ZINC000443559995 513995615 /nfs/dbraw/zinc/99/56/15/513995615.db2.gz OKPPNOHHIFLUAC-UHFFFAOYSA-N -1 3 354.322 2.747 20 5 FFBDHM COc1cc(C[NH2+]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000426656036 514008461 /nfs/dbraw/zinc/00/84/61/514008461.db2.gz VYJLNWYUSSZQTB-OAHLLOKOSA-N -1 3 374.393 2.651 20 5 FFBDHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000432301359 514152497 /nfs/dbraw/zinc/15/24/97/514152497.db2.gz MCODLSREZNKRNV-UHFFFAOYSA-N -1 3 374.434 2.996 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)C1(O)CCCC1 ZINC000452045480 514157509 /nfs/dbraw/zinc/15/75/09/514157509.db2.gz KNLRHOXVWRHODN-UHFFFAOYSA-N -1 3 356.444 2.513 20 5 FFBDHM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000427915344 514344649 /nfs/dbraw/zinc/34/46/49/514344649.db2.gz JHFGRLDTYAZVHO-UHFFFAOYSA-N -1 3 355.394 2.649 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cn3cc(C)nc3s2)c(C)c([N+](=O)[O-])c1 ZINC000489749280 514960752 /nfs/dbraw/zinc/96/07/52/514960752.db2.gz WNCFMUPLZAWSRB-UHFFFAOYSA-N -1 3 374.378 2.960 20 5 FFBDHM CC(C)(C)Oc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000503222553 514965570 /nfs/dbraw/zinc/96/55/70/514965570.db2.gz WYNCCRCDGHMGDU-UHFFFAOYSA-N -1 3 371.440 2.707 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000462490364 515083587 /nfs/dbraw/zinc/08/35/87/515083587.db2.gz MJJYLMOQWBABPU-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000462490364 515083597 /nfs/dbraw/zinc/08/35/97/515083597.db2.gz MJJYLMOQWBABPU-ZDUSSCGKSA-N -1 3 366.381 2.982 20 5 FFBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000467768440 515109181 /nfs/dbraw/zinc/10/91/81/515109181.db2.gz HLJLUXPHFDZTEF-ZDUSSCGKSA-N -1 3 364.851 2.978 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000467766022 515109368 /nfs/dbraw/zinc/10/93/68/515109368.db2.gz CWCOSHHMLOQEOR-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)c1C ZINC000480955169 515149166 /nfs/dbraw/zinc/14/91/66/515149166.db2.gz MWRKGNSOXHYCQD-AWEZNQCLSA-N -1 3 369.487 2.610 20 5 FFBDHM CC(C)(C)n1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)cn1 ZINC000499033156 515173428 /nfs/dbraw/zinc/17/34/28/515173428.db2.gz YIMHUBUTNUBCJX-UHFFFAOYSA-N -1 3 354.370 2.611 20 5 FFBDHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000462721083 515214153 /nfs/dbraw/zinc/21/41/53/515214153.db2.gz RQHIZRCKDKPKDH-LBPRGKRZSA-N -1 3 368.386 2.788 20 5 FFBDHM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1CC(C)C ZINC000499263279 515261108 /nfs/dbraw/zinc/26/11/08/515261108.db2.gz DZENPJOLZXDWGT-UHFFFAOYSA-N -1 3 366.443 2.740 20 5 FFBDHM Cn1[n-]c(=NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000491088613 515376215 /nfs/dbraw/zinc/37/62/15/515376215.db2.gz XSZLFHQCOOQTMW-UHFFFAOYSA-N -1 3 368.340 2.901 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000463176091 515386921 /nfs/dbraw/zinc/38/69/21/515386921.db2.gz KHDFVUKWMNMOQI-UGSOOPFHSA-N -1 3 355.394 2.551 20 5 FFBDHM C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000510551021 515583438 /nfs/dbraw/zinc/58/34/38/515583438.db2.gz HMOCUYIBZPVGGK-GMSGAONNSA-N -1 3 370.374 2.643 20 5 FFBDHM C[C@@H]1[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000493998980 515708697 /nfs/dbraw/zinc/70/86/97/515708697.db2.gz GWLRKXLMLPSGNS-FZKQIMNGSA-N -1 3 355.394 2.693 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)C)cc1C ZINC000487081169 515749082 /nfs/dbraw/zinc/74/90/82/515749082.db2.gz WZMNGMNGAUUNFP-WMLDXEAASA-N -1 3 370.471 2.941 20 5 FFBDHM COc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1[O-] ZINC000469335135 515774584 /nfs/dbraw/zinc/77/45/84/515774584.db2.gz SMDQIPYQPWUNBP-UHFFFAOYSA-N -1 3 366.757 2.901 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000487140023 515774865 /nfs/dbraw/zinc/77/48/65/515774865.db2.gz SUOVLANOLJGRQO-CJNGLKHVSA-N -1 3 356.444 2.633 20 5 FFBDHM COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCCC1(C)C ZINC000469355872 515781728 /nfs/dbraw/zinc/78/17/28/515781728.db2.gz IERQOSYXRFEQLE-AWEZNQCLSA-N -1 3 370.427 2.629 20 5 FFBDHM CCOc1cccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000507387370 516199944 /nfs/dbraw/zinc/19/99/44/516199944.db2.gz BCAKHDRZIGDBPF-UHFFFAOYSA-N -1 3 350.396 2.780 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000507542616 516237752 /nfs/dbraw/zinc/23/77/52/516237752.db2.gz DDTJLUWQHRLMFD-CYBMUJFWSA-N -1 3 369.468 2.546 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)cc1C ZINC000497544742 516325920 /nfs/dbraw/zinc/32/59/20/516325920.db2.gz ZVCCAVRVXZRPOZ-IUODEOHRSA-N -1 3 369.487 2.610 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000523106948 516388475 /nfs/dbraw/zinc/38/84/75/516388475.db2.gz NERVRMHFQIOQED-UHFFFAOYSA-N -1 3 368.798 2.662 20 5 FFBDHM Cc1nn(CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(C)c1Cl ZINC000523159783 516401201 /nfs/dbraw/zinc/40/12/01/516401201.db2.gz RZWSXPDBCSHDKI-UHFFFAOYSA-N -1 3 374.788 2.512 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)cn1 ZINC000550821848 516441828 /nfs/dbraw/zinc/44/18/28/516441828.db2.gz XSPYEGJNFWIBRX-JTQLQIEISA-N -1 3 355.803 2.991 20 5 FFBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1cc2ccccn2[n-]1 ZINC000561333820 516526886 /nfs/dbraw/zinc/52/68/86/516526886.db2.gz PIADEPSFBBBSHK-SNVBAGLBSA-N -1 3 360.757 2.724 20 5 FFBDHM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000531684357 516596145 /nfs/dbraw/zinc/59/61/45/516596145.db2.gz UDXHEEWHPYUVBB-UHFFFAOYSA-N -1 3 366.443 2.523 20 5 FFBDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000561561987 516654811 /nfs/dbraw/zinc/65/48/11/516654811.db2.gz DDQPDEHVFWUQSL-QFYYESIMSA-N -1 3 366.370 2.676 20 5 FFBDHM Cc1cc(C)c(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])cn3)[nH][n-]2)cc1C ZINC000532153707 516828210 /nfs/dbraw/zinc/82/82/10/516828210.db2.gz OZCFQIGOZBYTLJ-UHFFFAOYSA-N -1 3 351.366 2.979 20 5 FFBDHM O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1cc(Cl)ccc1[O-] ZINC000524792816 516833935 /nfs/dbraw/zinc/83/39/35/516833935.db2.gz PQDHEPTUIQROTI-UHFFFAOYSA-N -1 3 364.741 2.906 20 5 FFBDHM COc1ccc(OCCN2CCc3ccccc3[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000519167509 516911460 /nfs/dbraw/zinc/91/14/60/516911460.db2.gz ZBOBZJQGHOOUQK-SFHVURJKSA-N -1 3 372.377 2.666 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000559158247 517107416 /nfs/dbraw/zinc/10/74/16/517107416.db2.gz UWHWCABDCVLKMB-JTQLQIEISA-N -1 3 360.407 2.847 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c1[N+](=O)[O-] ZINC000519668189 517114369 /nfs/dbraw/zinc/11/43/69/517114369.db2.gz RFVHZVYGSISHNR-CYBMUJFWSA-N -1 3 362.407 2.666 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541957661 517311998 /nfs/dbraw/zinc/31/19/98/517311998.db2.gz LFJQPWSSNHGAJQ-UHFFFAOYSA-N -1 3 356.256 2.971 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000553079754 517513609 /nfs/dbraw/zinc/51/36/09/517513609.db2.gz FJUUVYQQJKOJQA-AWEZNQCLSA-N -1 3 366.370 2.708 20 5 FFBDHM CS(=O)(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1C(F)F ZINC000538411554 517608297 /nfs/dbraw/zinc/60/82/97/517608297.db2.gz RSSBYIHCXHAULT-UHFFFAOYSA-N -1 3 360.294 2.781 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)cc1 ZINC000521231885 517661144 /nfs/dbraw/zinc/66/11/44/517661144.db2.gz WOQNOCNLJYMVJT-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCSCC(C)C ZINC000549841126 517741004 /nfs/dbraw/zinc/74/10/04/517741004.db2.gz DHHMHNFUDLHHBO-UHFFFAOYSA-N -1 3 362.473 2.661 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000553567174 517787755 /nfs/dbraw/zinc/78/77/55/517787755.db2.gz OYGDXQIWIUBOJV-SECBINFHSA-N -1 3 350.849 2.670 20 5 FFBDHM CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000534710399 518009027 /nfs/dbraw/zinc/00/90/27/518009027.db2.gz XCPZJWBLXOSVNC-JTQLQIEISA-N -1 3 367.793 2.825 20 5 FFBDHM COc1cc2c(cc1F)[n-]cc(C(=O)NCc1ccccc1[N+](=O)[O-])c2=O ZINC000539415393 518036560 /nfs/dbraw/zinc/03/65/60/518036560.db2.gz JDHBGQRWRUDLCG-UHFFFAOYSA-N -1 3 371.324 2.514 20 5 FFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000547372555 518109202 /nfs/dbraw/zinc/10/92/02/518109202.db2.gz HQFCKGCCIXLKML-UHFFFAOYSA-N -1 3 370.408 2.711 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000539860914 518172918 /nfs/dbraw/zinc/17/29/18/518172918.db2.gz QAXMFNKFVIJKPC-UHFFFAOYSA-N -1 3 356.425 2.576 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc3cnn(C)c3c2)cc1C ZINC000581641159 518383434 /nfs/dbraw/zinc/38/34/34/518383434.db2.gz LVIXIRXKMJKPGX-UHFFFAOYSA-N -1 3 374.422 2.577 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCSc2ccccn2)c([N+](=O)[O-])c1 ZINC000581948660 518516372 /nfs/dbraw/zinc/51/63/72/518516372.db2.gz WALRRQCVIJIFAX-UHFFFAOYSA-N -1 3 367.452 2.759 20 5 FFBDHM CCc1[nH]nc(C(=O)[N-]c2nc3c(cccc3COC)s2)c1[N+](=O)[O-] ZINC000576356247 518554686 /nfs/dbraw/zinc/55/46/86/518554686.db2.gz WDMBUCBHLGIPKQ-UHFFFAOYSA-N -1 3 361.383 2.889 20 5 FFBDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000570371208 518572815 /nfs/dbraw/zinc/57/28/15/518572815.db2.gz JVMZAMSRCFVJAX-UHFFFAOYSA-N -1 3 356.322 2.532 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCc3cc(N)ccc32)c1[N+](=O)[O-] ZINC000576769360 518755704 /nfs/dbraw/zinc/75/57/04/518755704.db2.gz PETCBZBRQIPXMS-HNNXBMFYSA-N -1 3 361.423 2.760 20 5 FFBDHM CN(C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000577495984 519110493 /nfs/dbraw/zinc/11/04/93/519110493.db2.gz DLYWEGHRWRISKH-UHFFFAOYSA-N -1 3 359.382 2.846 20 5 FFBDHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000583180709 519115674 /nfs/dbraw/zinc/11/56/74/519115674.db2.gz QLIJEQWTKSSTNR-NSHDSACASA-N -1 3 363.395 2.709 20 5 FFBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000590589513 519277884 /nfs/dbraw/zinc/27/78/84/519277884.db2.gz IPERCVSAXOEAIF-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM CCCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000566532624 519535306 /nfs/dbraw/zinc/53/53/06/519535306.db2.gz VVDYVERQIJIRTI-LLVKDONJSA-N -1 3 363.867 2.647 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)c1[N+](=O)[O-] ZINC000594472824 519982755 /nfs/dbraw/zinc/98/27/55/519982755.db2.gz GIGLGLTYKDWIAC-HUUCEWRRSA-N -1 3 368.455 2.838 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594484095 519992036 /nfs/dbraw/zinc/99/20/36/519992036.db2.gz SAJZTWDXWISUML-CABCVRRESA-N -1 3 367.471 2.507 20 5 FFBDHM CSCCCCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594766273 520144637 /nfs/dbraw/zinc/14/46/37/520144637.db2.gz GNVAFXZDPVZWBK-UHFFFAOYSA-N -1 3 369.468 2.955 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2(c3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000592067744 520163171 /nfs/dbraw/zinc/16/31/71/520163171.db2.gz VQUDUXBDHLZCRQ-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]1c1ccccc1 ZINC000594869995 520200366 /nfs/dbraw/zinc/20/03/66/520200366.db2.gz XHEYMENITRSZBV-HUUCEWRRSA-N -1 3 362.407 2.828 20 5 FFBDHM CCOc1cccc(NCc2ccc(S(=O)(=O)[N-]C)s2)c1[N+](=O)[O-] ZINC000613043393 520284275 /nfs/dbraw/zinc/28/42/75/520284275.db2.gz HMQNQRANSATOCU-UHFFFAOYSA-N -1 3 371.440 2.575 20 5 FFBDHM COC(=O)Cc1csc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000603878075 520387903 /nfs/dbraw/zinc/38/79/03/520387903.db2.gz JNUNFWFLVNGDDQ-UHFFFAOYSA-N -1 3 361.335 2.765 20 5 FFBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1[N+](=O)[O-] ZINC000617231364 520388328 /nfs/dbraw/zinc/38/83/28/520388328.db2.gz HVPZEOZKBHJLAN-UHFFFAOYSA-N -1 3 355.803 2.791 20 5 FFBDHM COc1ccc(OCCN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000600673548 520389733 /nfs/dbraw/zinc/38/97/33/520389733.db2.gz FIZCZTVLFWQXJT-RYUDHWBXSA-N -1 3 352.387 2.556 20 5 FFBDHM C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccnc1 ZINC000609680043 520406451 /nfs/dbraw/zinc/40/64/51/520406451.db2.gz OHHBPUBAJSZMRM-LBPRGKRZSA-N -1 3 351.366 2.934 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000603958703 520415324 /nfs/dbraw/zinc/41/53/24/520415324.db2.gz LGKGRNWQNCYWJY-MFKMUULPSA-N -1 3 366.395 2.798 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c(F)c1 ZINC000604017735 520427233 /nfs/dbraw/zinc/42/72/33/520427233.db2.gz DVNXPLCNLCQEMQ-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c(F)c1 ZINC000604020083 520428704 /nfs/dbraw/zinc/42/87/04/520428704.db2.gz AZQRIPBLEHMLLT-UHFFFAOYSA-N -1 3 358.778 2.908 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c([N+](=O)[O-])c1 ZINC000609802113 520438439 /nfs/dbraw/zinc/43/84/39/520438439.db2.gz LAZWLFVKZATBIL-GFCCVEGCSA-N -1 3 366.420 2.729 20 5 FFBDHM CCCn1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000617431934 520493649 /nfs/dbraw/zinc/49/36/49/520493649.db2.gz XBDVHGTXLCIGNQ-UHFFFAOYSA-N -1 3 357.819 2.938 20 5 FFBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@@H]21 ZINC000610266066 520612432 /nfs/dbraw/zinc/61/24/32/520612432.db2.gz MHAFYNFPMQIRAK-GDLCADMTSA-N -1 3 374.846 2.730 20 5 FFBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C12CCC2 ZINC000610267051 520613031 /nfs/dbraw/zinc/61/30/31/520613031.db2.gz TZHJRHCCCLEFCU-LSDHHAIUSA-N -1 3 354.428 2.529 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])s1 ZINC000601428611 520784445 /nfs/dbraw/zinc/78/44/45/520784445.db2.gz CDDZEPMQSVXIPQ-NSHDSACASA-N -1 3 360.457 2.592 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cnc2n1CCCCC2 ZINC000598679958 520784795 /nfs/dbraw/zinc/78/47/95/520784795.db2.gz AXQWTLRUTLRNKO-UHFFFAOYSA-N -1 3 366.381 2.582 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc2c([nH]c1=O)CCCC2 ZINC000593284160 520882132 /nfs/dbraw/zinc/88/21/32/520882132.db2.gz LYPOMJLNAGHGKQ-UHFFFAOYSA-N -1 3 363.395 2.683 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000596089031 520906558 /nfs/dbraw/zinc/90/65/58/520906558.db2.gz RFLCQQDGOYXVBW-SNVBAGLBSA-N -1 3 373.287 2.566 20 5 FFBDHM O=c1[n-]ccc(N2CCO[C@H](c3cccc(OC(F)F)c3)C2)c1[N+](=O)[O-] ZINC000596179392 520956216 /nfs/dbraw/zinc/95/62/16/520956216.db2.gz PHVSGFSSVJQKBK-ZDUSSCGKSA-N -1 3 367.308 2.875 20 5 FFBDHM CC(C)c1nc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])c[nH]1 ZINC000611497295 521187698 /nfs/dbraw/zinc/18/76/98/521187698.db2.gz WLJWGCOZOXGAIU-UHFFFAOYSA-N -1 3 372.834 2.616 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1CN1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000593748198 521190813 /nfs/dbraw/zinc/19/08/13/521190813.db2.gz IXJHEVOPKUYKMZ-LJQANCHMSA-N -1 3 356.378 2.832 20 5 FFBDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])nc1 ZINC000599411293 521204887 /nfs/dbraw/zinc/20/48/87/521204887.db2.gz ZDKPLXJAHOVMNJ-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611557598 521219869 /nfs/dbraw/zinc/21/98/69/521219869.db2.gz GPHSMYFLUWTVJO-INIZCTEOSA-N -1 3 355.394 2.647 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)c(Cl)c1 ZINC000599464863 521239876 /nfs/dbraw/zinc/23/98/76/521239876.db2.gz VDUVBBRDLVFPMG-ZDUSSCGKSA-N -1 3 373.862 2.543 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000619482194 521591702 /nfs/dbraw/zinc/59/17/02/521591702.db2.gz ZSUYRKFXEDKJEJ-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000619486855 521593487 /nfs/dbraw/zinc/59/34/87/521593487.db2.gz DDJANVHGYFIREX-CHWSQXEVSA-N -1 3 354.428 2.851 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@]1(C)c1ccccc1 ZINC000619486990 521594084 /nfs/dbraw/zinc/59/40/84/521594084.db2.gz QNMZXUAKMXMCEP-NVXWUHKLSA-N -1 3 362.407 2.612 20 5 FFBDHM Cn1cnc2cccc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)c21 ZINC000619568414 521772395 /nfs/dbraw/zinc/77/23/95/521772395.db2.gz RMUOQYBSYNOYQV-UHFFFAOYSA-N -1 3 362.349 2.546 20 5 FFBDHM CC[C@H](C)n1nc([N-]c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])cc1C ZINC000537192085 562587513 /nfs/dbraw/zinc/58/75/13/562587513.db2.gz OSDHHNGHJZJCBG-JTQLQIEISA-N -1 3 367.431 2.722 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000737032080 598938107 /nfs/dbraw/zinc/93/81/07/598938107.db2.gz HHHJWRFRBRDBOE-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000737032080 598938109 /nfs/dbraw/zinc/93/81/09/598938109.db2.gz HHHJWRFRBRDBOE-UHFFFAOYSA-N -1 3 371.353 2.550 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738371642 598973892 /nfs/dbraw/zinc/97/38/92/598973892.db2.gz VSSSKKFENKJEHZ-CQSZACIVSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738371642 598973894 /nfs/dbraw/zinc/97/38/94/598973894.db2.gz VSSSKKFENKJEHZ-CQSZACIVSA-N -1 3 360.761 2.574 20 5 FFBDHM CCC(CC)c1cc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)on1 ZINC000820898244 599045937 /nfs/dbraw/zinc/04/59/37/599045937.db2.gz XAKWQVAZBNVAKU-UHFFFAOYSA-N -1 3 358.362 2.674 20 5 FFBDHM CCC(CC)c1cc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)on1 ZINC000820898244 599045940 /nfs/dbraw/zinc/04/59/40/599045940.db2.gz XAKWQVAZBNVAKU-UHFFFAOYSA-N -1 3 358.362 2.674 20 5 FFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737955384 599061868 /nfs/dbraw/zinc/06/18/68/599061868.db2.gz FUXXZEDZMPEJPI-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737955384 599061870 /nfs/dbraw/zinc/06/18/70/599061870.db2.gz FUXXZEDZMPEJPI-UHFFFAOYSA-N -1 3 373.756 2.714 20 5 FFBDHM CN(Cc1ccc(Cl)s1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821611301 599150743 /nfs/dbraw/zinc/15/07/43/599150743.db2.gz ZSYBDXXOCXGHRF-UHFFFAOYSA-N -1 3 351.779 2.521 20 5 FFBDHM CN(Cc1ccc(Cl)s1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821611301 599150748 /nfs/dbraw/zinc/15/07/48/599150748.db2.gz ZSYBDXXOCXGHRF-UHFFFAOYSA-N -1 3 351.779 2.521 20 5 FFBDHM Cc1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1[N+](=O)[O-] ZINC000822248994 599236783 /nfs/dbraw/zinc/23/67/83/599236783.db2.gz XFVVWUNUCJTSKO-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1[N+](=O)[O-] ZINC000822248994 599236784 /nfs/dbraw/zinc/23/67/84/599236784.db2.gz XFVVWUNUCJTSKO-UHFFFAOYSA-N -1 3 371.332 2.544 20 5 FFBDHM Cc1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822061712 607296757 /nfs/dbraw/zinc/29/67/57/607296757.db2.gz VNWXECKGWLCTPC-UHFFFAOYSA-N -1 3 366.381 3.000 20 5 FFBDHM Cc1c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822061712 607296758 /nfs/dbraw/zinc/29/67/58/607296758.db2.gz VNWXECKGWLCTPC-UHFFFAOYSA-N -1 3 366.381 3.000 20 5 FFBDHM Cc1csc(CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000737452416 598422039 /nfs/dbraw/zinc/42/20/39/598422039.db2.gz JISLSWZYGYWROO-UHFFFAOYSA-N -1 3 359.415 2.975 20 5 FFBDHM Cc1csc(CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000737452416 598422041 /nfs/dbraw/zinc/42/20/41/598422041.db2.gz JISLSWZYGYWROO-UHFFFAOYSA-N -1 3 359.415 2.975 20 5 FFBDHM CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cn1 ZINC000736490281 598468493 /nfs/dbraw/zinc/46/84/93/598468493.db2.gz KDYSLBSZDINGPL-UHFFFAOYSA-N -1 3 355.358 2.571 20 5 FFBDHM CCCOc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cn1 ZINC000736490281 598468494 /nfs/dbraw/zinc/46/84/94/598468494.db2.gz KDYSLBSZDINGPL-UHFFFAOYSA-N -1 3 355.358 2.571 20 5 FFBDHM CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1-c1nnn[n-]1 ZINC000736675776 598517670 /nfs/dbraw/zinc/51/76/70/598517670.db2.gz MWCGPEMMCHFQKC-UHFFFAOYSA-N -1 3 373.398 2.663 20 5 FFBDHM CCc1c(C)sc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1-c1nn[n-]n1 ZINC000736675776 598517672 /nfs/dbraw/zinc/51/76/72/598517672.db2.gz MWCGPEMMCHFQKC-UHFFFAOYSA-N -1 3 373.398 2.663 20 5 FFBDHM Cc1c(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cccc1[N+](=O)[O-] ZINC000737214939 598566740 /nfs/dbraw/zinc/56/67/40/598566740.db2.gz BAVDMTNOSVEAMV-UHFFFAOYSA-N -1 3 361.365 2.995 20 5 FFBDHM Cc1c(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cccc1[N+](=O)[O-] ZINC000737214939 598566742 /nfs/dbraw/zinc/56/67/42/598566742.db2.gz BAVDMTNOSVEAMV-UHFFFAOYSA-N -1 3 361.365 2.995 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738165934 598599874 /nfs/dbraw/zinc/59/98/74/598599874.db2.gz HOCXQJLKHMNQQR-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738165934 598599876 /nfs/dbraw/zinc/59/98/76/598599876.db2.gz HOCXQJLKHMNQQR-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM C[C@@H]1c2ccccc2OCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736301713 598668890 /nfs/dbraw/zinc/66/88/90/598668890.db2.gz DHKLZJOYGJWLGE-LLVKDONJSA-N -1 3 352.354 2.735 20 5 FFBDHM C[C@@H]1c2ccccc2OCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736301713 598668892 /nfs/dbraw/zinc/66/88/92/598668892.db2.gz DHKLZJOYGJWLGE-LLVKDONJSA-N -1 3 352.354 2.735 20 5 FFBDHM Cc1sc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822552519 599505923 /nfs/dbraw/zinc/50/59/23/599505923.db2.gz BVVXFXLAWJSIJO-MRVPVSSYSA-N -1 3 358.383 2.636 20 5 FFBDHM Cc1sc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822552519 599505924 /nfs/dbraw/zinc/50/59/24/599505924.db2.gz BVVXFXLAWJSIJO-MRVPVSSYSA-N -1 3 358.383 2.636 20 5 FFBDHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1[N+](=O)[O-] ZINC000826254082 607411422 /nfs/dbraw/zinc/41/14/22/607411422.db2.gz SVLCVYVFNYYIEO-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1[N+](=O)[O-] ZINC000826254082 607411423 /nfs/dbraw/zinc/41/14/23/607411423.db2.gz SVLCVYVFNYYIEO-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM CC[C@@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820932979 607467208 /nfs/dbraw/zinc/46/72/08/607467208.db2.gz RWTMKOSMQFQKKZ-OAHLLOKOSA-N -1 3 368.397 2.552 20 5 FFBDHM CC[C@@H](O)CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820932979 607467210 /nfs/dbraw/zinc/46/72/10/607467210.db2.gz RWTMKOSMQFQKKZ-OAHLLOKOSA-N -1 3 368.397 2.552 20 5 FFBDHM Cc1sc(C(=O)[O-])cc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833033107 601641091 /nfs/dbraw/zinc/64/10/91/601641091.db2.gz VKFDTIOLQMYXSB-LBPRGKRZSA-N -1 3 362.411 2.744 20 5 FFBDHM COc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826218713 607522573 /nfs/dbraw/zinc/52/25/73/607522573.db2.gz JDXSTGCHERFMHY-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826218713 607522574 /nfs/dbraw/zinc/52/25/74/607522574.db2.gz JDXSTGCHERFMHY-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC000826451291 607525402 /nfs/dbraw/zinc/52/54/02/607525402.db2.gz ZJJJOCPASXLJGF-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC000826451291 607525404 /nfs/dbraw/zinc/52/54/04/607525404.db2.gz ZJJJOCPASXLJGF-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000826184944 607539298 /nfs/dbraw/zinc/53/92/98/607539298.db2.gz RDYKXVIMDFQKQT-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000826184944 607539299 /nfs/dbraw/zinc/53/92/99/607539299.db2.gz RDYKXVIMDFQKQT-UHFFFAOYSA-N -1 3 369.337 2.565 20 5 FFBDHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824394579 607732823 /nfs/dbraw/zinc/73/28/23/607732823.db2.gz YCEHHFAYHRHHJX-RNCFNFMXSA-N -1 3 360.399 2.761 20 5 FFBDHM C[C@H](C[C@H](O)c1cccs1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824394579 607732824 /nfs/dbraw/zinc/73/28/24/607732824.db2.gz YCEHHFAYHRHHJX-RNCFNFMXSA-N -1 3 360.399 2.761 20 5 FFBDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834103434 606031891 /nfs/dbraw/zinc/03/18/91/606031891.db2.gz BFNHPNKKTRUKGS-GVDBMIGSSA-N -1 3 363.414 2.625 20 5 FFBDHM COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821720791 606223383 /nfs/dbraw/zinc/22/33/83/606223383.db2.gz XMRWFZRXDUHXMN-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821720791 606223386 /nfs/dbraw/zinc/22/33/86/606223386.db2.gz XMRWFZRXDUHXMN-UHFFFAOYSA-N -1 3 362.296 2.674 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820502707 606344104 /nfs/dbraw/zinc/34/41/04/606344104.db2.gz UKHSRHVAQSMNDA-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820502707 606344106 /nfs/dbraw/zinc/34/41/06/606344106.db2.gz UKHSRHVAQSMNDA-LLVKDONJSA-N -1 3 353.338 2.622 20 5 FFBDHM CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1(CC)CC ZINC000821359531 606477347 /nfs/dbraw/zinc/47/73/47/606477347.db2.gz NVUJXAPHFVLZSR-QWHCGFSZSA-N -1 3 361.406 2.566 20 5 FFBDHM CCO[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1(CC)CC ZINC000821359531 606477348 /nfs/dbraw/zinc/47/73/48/606477348.db2.gz NVUJXAPHFVLZSR-QWHCGFSZSA-N -1 3 361.406 2.566 20 5 FFBDHM O=[N+]([O-])c1cc(NCc2cn3cc(Cl)ccc3n2)ccc1-c1nnn[n-]1 ZINC000823635181 606645348 /nfs/dbraw/zinc/64/53/48/606645348.db2.gz RQTHUEXZFCUROP-UHFFFAOYSA-N -1 3 370.760 2.688 20 5 FFBDHM O=[N+]([O-])c1cc(NCc2cn3cc(Cl)ccc3n2)ccc1-c1nn[n-]n1 ZINC000823635181 606645349 /nfs/dbraw/zinc/64/53/49/606645349.db2.gz RQTHUEXZFCUROP-UHFFFAOYSA-N -1 3 370.760 2.688 20 5 FFBDHM Cc1c(OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822129075 606673888 /nfs/dbraw/zinc/67/38/88/606673888.db2.gz HKXIVORCFXFXEH-UHFFFAOYSA-N -1 3 361.264 2.581 20 5 FFBDHM Cc1c(OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822129075 606673889 /nfs/dbraw/zinc/67/38/89/606673889.db2.gz HKXIVORCFXFXEH-UHFFFAOYSA-N -1 3 361.264 2.581 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCC2 ZINC000821360794 606880235 /nfs/dbraw/zinc/88/02/35/606880235.db2.gz SMMUOLVPMSWHMA-LSDHHAIUSA-N -1 3 358.402 2.559 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCC2 ZINC000821360794 606880236 /nfs/dbraw/zinc/88/02/36/606880236.db2.gz SMMUOLVPMSWHMA-LSDHHAIUSA-N -1 3 358.402 2.559 20 5 FFBDHM C[C@H](Cc1ccc(O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820301691 606908317 /nfs/dbraw/zinc/90/83/17/606908317.db2.gz ZKMUSCOXLHFOIB-LLVKDONJSA-N -1 3 354.370 2.548 20 5 FFBDHM C[C@H](Cc1ccc(O)cc1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820301691 606908318 /nfs/dbraw/zinc/90/83/18/606908318.db2.gz ZKMUSCOXLHFOIB-LLVKDONJSA-N -1 3 354.370 2.548 20 5 FFBDHM Cc1sc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822553725 606993696 /nfs/dbraw/zinc/99/36/96/606993696.db2.gz PRMUOIPYVXVYIQ-UHFFFAOYSA-N -1 3 363.330 2.641 20 5 FFBDHM Cc1sc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822553725 606993697 /nfs/dbraw/zinc/99/36/97/606993697.db2.gz PRMUOIPYVXVYIQ-UHFFFAOYSA-N -1 3 363.330 2.641 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820235319 607041278 /nfs/dbraw/zinc/04/12/78/607041278.db2.gz RSGQXIXLDXXANL-QFYYESIMSA-N -1 3 372.360 2.838 20 5 FFBDHM C[C@@H](C[C@H](O)c1ccc(F)cc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820235319 607041279 /nfs/dbraw/zinc/04/12/79/607041279.db2.gz RSGQXIXLDXXANL-QFYYESIMSA-N -1 3 372.360 2.838 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822213169 607080971 /nfs/dbraw/zinc/08/09/71/607080971.db2.gz XHSBSZRTQPELAT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822213169 607080973 /nfs/dbraw/zinc/08/09/73/607080973.db2.gz XHSBSZRTQPELAT-UHFFFAOYSA-N -1 3 357.301 2.579 20 5 FFBDHM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000821772575 607189204 /nfs/dbraw/zinc/18/92/04/607189204.db2.gz GJCALNODOYRHCU-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000821772575 607189205 /nfs/dbraw/zinc/18/92/05/607189205.db2.gz GJCALNODOYRHCU-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826499414 607873437 /nfs/dbraw/zinc/87/34/37/607873437.db2.gz HVTCUKYNXGGMNX-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826499414 607873438 /nfs/dbraw/zinc/87/34/38/607873438.db2.gz HVTCUKYNXGGMNX-ZDUSSCGKSA-N -1 3 361.745 2.541 20 5 FFBDHM CC(C)Oc1cccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000824333073 607903555 /nfs/dbraw/zinc/90/35/55/607903555.db2.gz DBBKFPYXTGCNTM-UHFFFAOYSA-N -1 3 369.385 2.594 20 5 FFBDHM CC(C)Oc1cccc(CN(C)c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000824333073 607903556 /nfs/dbraw/zinc/90/35/56/607903556.db2.gz DBBKFPYXTGCNTM-UHFFFAOYSA-N -1 3 369.385 2.594 20 5 FFBDHM CC(C)SCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824337998 608162408 /nfs/dbraw/zinc/16/24/08/608162408.db2.gz MGCFMQCLCPPNJN-UHFFFAOYSA-N -1 3 356.795 2.508 20 5 FFBDHM CC(C)SCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824337998 608162410 /nfs/dbraw/zinc/16/24/10/608162410.db2.gz MGCFMQCLCPPNJN-UHFFFAOYSA-N -1 3 356.795 2.508 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000826498997 608238763 /nfs/dbraw/zinc/23/87/63/608238763.db2.gz RFXBGPOKFFRMNN-SUMWQHHRSA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000826498997 608238764 /nfs/dbraw/zinc/23/87/64/608238764.db2.gz RFXBGPOKFFRMNN-SUMWQHHRSA-N -1 3 366.381 2.965 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826246548 608433827 /nfs/dbraw/zinc/43/38/27/608433827.db2.gz GNSQTYITKOKSBG-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000826246548 608433829 /nfs/dbraw/zinc/43/38/29/608433829.db2.gz GNSQTYITKOKSBG-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM O=[N+]([O-])c1ccc2ncnc(Oc3ccc(-c4nnn[n-]4)cc3F)c2c1 ZINC000826499515 609438381 /nfs/dbraw/zinc/43/83/81/609438381.db2.gz LTPYDQABOFSKFU-UHFFFAOYSA-N -1 3 353.273 2.650 20 5 FFBDHM O=[N+]([O-])c1ccc2ncnc(Oc3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000826499515 609438384 /nfs/dbraw/zinc/43/83/84/609438384.db2.gz LTPYDQABOFSKFU-UHFFFAOYSA-N -1 3 353.273 2.650 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCCCO3)cc(-c3nnn[n-]3)c2c1 ZINC000826499788 609581683 /nfs/dbraw/zinc/58/16/83/609581683.db2.gz XJOXGRZVBPRBIR-LBPRGKRZSA-N -1 3 369.385 2.694 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC[C@@H]3CCCCO3)cc(-c3nn[n-]n3)c2c1 ZINC000826499788 609581684 /nfs/dbraw/zinc/58/16/84/609581684.db2.gz XJOXGRZVBPRBIR-LBPRGKRZSA-N -1 3 369.385 2.694 20 5 FFBDHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000066960938 728179748 /nfs/dbraw/zinc/17/97/48/728179748.db2.gz XFUVYDSOOYGISY-UHFFFAOYSA-N -1 3 356.306 2.529 20 5 FFBDHM C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000731915756 734705415 /nfs/dbraw/zinc/70/54/15/734705415.db2.gz QNHIBANZCXUABW-MRVPVSSYSA-N -1 3 365.729 2.533 20 5 FFBDHM O=C([N-]OC[C@H]1CCOC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897530583 735243041 /nfs/dbraw/zinc/24/30/41/735243041.db2.gz LWYOPWYSZAXHSN-LURJTMIESA-N -1 3 353.133 2.739 20 5 FFBDHM O=C([O-])[C@@]12CCC[C@@H]1CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000901522364 735789963 /nfs/dbraw/zinc/78/99/63/735789963.db2.gz JZQLJSLKULCYHI-BDJLRTHQSA-N -1 3 356.325 2.883 20 5 FFBDHM O=[N+]([O-])c1cc([N-]S(=O)(=O)CC2Cc3ccccc3C2)ccc1F ZINC000753022752 736032155 /nfs/dbraw/zinc/03/21/55/736032155.db2.gz YHPAYJXBRRWMLH-UHFFFAOYSA-N -1 3 350.371 2.891 20 5 FFBDHM CC1(C)CC2(CC([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CO1 ZINC000908002088 736701612 /nfs/dbraw/zinc/70/16/12/736701612.db2.gz ZSAFALQTBISFLR-UHFFFAOYSA-N -1 3 374.846 2.874 20 5 FFBDHM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000770481056 737631152 /nfs/dbraw/zinc/63/11/52/737631152.db2.gz NLLJEBQLRCOYIF-SSDOTTSWSA-N -1 3 361.745 2.716 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCOC2)c(F)cc1[N+](=O)[O-] ZINC000921847554 738054671 /nfs/dbraw/zinc/05/46/71/738054671.db2.gz COWTWJIBUJEZCU-LRDDRELGSA-N -1 3 372.418 2.526 20 5 FFBDHM O=C([N-]Cc1cn2ccsc2n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778239629 738366276 /nfs/dbraw/zinc/36/62/76/738366276.db2.gz UMOQQDBLLWLSAO-UHFFFAOYSA-N -1 3 352.322 2.712 20 5 FFBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000800928418 740567281 /nfs/dbraw/zinc/56/72/81/740567281.db2.gz NEBHFAKLRVTTIE-UHFFFAOYSA-N -1 3 352.343 2.860 20 5 FFBDHM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853514557 750079816 /nfs/dbraw/zinc/07/98/16/750079816.db2.gz ORZNQXYWCYBPAT-WDEREUQCSA-N -1 3 352.391 2.943 20 5 FFBDHM C[C@H]1COc2ccccc2CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825012999 947046748 /nfs/dbraw/zinc/04/67/48/947046748.db2.gz NAWNXLVSWGXNRL-NSHDSACASA-N -1 3 352.354 2.562 20 5 FFBDHM C[C@H]1COc2ccccc2CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825012999 947046754 /nfs/dbraw/zinc/04/67/54/947046754.db2.gz NAWNXLVSWGXNRL-NSHDSACASA-N -1 3 352.354 2.562 20 5 FFBDHM O=C(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccco1 ZINC000826404660 948229929 /nfs/dbraw/zinc/22/99/29/948229929.db2.gz IAKIWKPRJCBONJ-NSHDSACASA-N -1 3 368.353 2.610 20 5 FFBDHM O=C(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccco1 ZINC000826404660 948229934 /nfs/dbraw/zinc/22/99/34/948229934.db2.gz IAKIWKPRJCBONJ-NSHDSACASA-N -1 3 368.353 2.610 20 5 FFBDHM CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001211906992 979570215 /nfs/dbraw/zinc/57/02/15/979570215.db2.gz OHIJEKODYWQGQF-BDAKNGLRSA-N -1 3 352.334 2.938 20 5 FFBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000910342893 981908283 /nfs/dbraw/zinc/90/82/83/981908283.db2.gz CCFGGZUXSVVZBO-OAHLLOKOSA-N -1 3 370.409 2.707 20 5 FFBDHM O=C(Oc1ccc2ccc(=O)oc2c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000914753683 987889204 /nfs/dbraw/zinc/88/92/04/987889204.db2.gz RFNCDXXEMVGSPZ-UHFFFAOYSA-N -1 3 351.274 2.797 20 5 FFBDHM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001593737541 996336590 /nfs/dbraw/zinc/33/65/90/996336590.db2.gz IHRJIMVJTQGPAT-NTZNESFSSA-N -1 3 360.370 2.748 20 5 FFBDHM C[C@H](OC(=O)c1cncc([O-])c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000731915256 998336642 /nfs/dbraw/zinc/33/66/42/998336642.db2.gz KPTVBZCGXCOZML-VIFPVBQESA-N -1 3 356.294 2.663 20 5 FFBDHM CCN(C)C(=O)c1cccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000733868361 999089473 /nfs/dbraw/zinc/08/94/73/999089473.db2.gz DUXIACBLRXLKRW-UHFFFAOYSA-N -1 3 368.349 2.782 20 5 FFBDHM CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)CC1 ZINC000011952702 1016373501 /nfs/dbraw/zinc/37/35/01/1016373501.db2.gz PZAFVUAKRPKUOR-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)c([N+](=O)[O-])s1 ZINC001186196635 1003217244 /nfs/dbraw/zinc/21/72/44/1003217244.db2.gz SFRCAFCVPWBRRZ-UHFFFAOYSA-N -1 3 355.441 2.509 20 5 FFBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000853637009 1006488263 /nfs/dbraw/zinc/48/82/63/1006488263.db2.gz NWUDWPTWRCRFMK-PIGZYNQJSA-N -1 3 366.418 2.683 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c(F)cc1[N+](=O)[O-] ZINC001189550248 1007140948 /nfs/dbraw/zinc/14/09/48/1007140948.db2.gz DKHQKSOKXUAIHT-GXTWGEPZSA-N -1 3 350.371 2.877 20 5 FFBDHM CC(C)(NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1[N+](=O)[O-] ZINC000817038599 1007361008 /nfs/dbraw/zinc/36/10/08/1007361008.db2.gz VQHDQBVUGKFMPX-UHFFFAOYSA-N -1 3 352.350 2.909 20 5 FFBDHM O=[N+]([O-])c1[n-]nc(-c2nc(-c3cccc(F)c3)no2)c1Br ZINC001212837660 1009473223 /nfs/dbraw/zinc/47/32/23/1009473223.db2.gz XMKPULBAMQRJFW-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM O=[N+]([O-])c1n[n-]c(-c2nc(-c3cccc(F)c3)no2)c1Br ZINC001212837660 1009473227 /nfs/dbraw/zinc/47/32/27/1009473227.db2.gz XMKPULBAMQRJFW-UHFFFAOYSA-N -1 3 354.095 2.937 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3ccccc3-n3ccnc3)no2)cc1[N+](=O)[O-] ZINC001212843998 1009544390 /nfs/dbraw/zinc/54/43/90/1009544390.db2.gz ICCRQGRBOPVUGR-UHFFFAOYSA-N -1 3 350.294 2.598 20 5 FFBDHM O=c1[n-]cc(-c2nc(-c3cc(F)c(F)c(F)c3F)no2)cc1[N+](=O)[O-] ZINC001212844553 1009561367 /nfs/dbraw/zinc/56/13/67/1009561367.db2.gz ZTRYZEKCDBYDMQ-UHFFFAOYSA-N -1 3 356.191 2.969 20 5 FFBDHM COc1cc(C[NH2+]C[C@H](CC(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC001118979844 1022500563 /nfs/dbraw/zinc/50/05/63/1022500563.db2.gz ZJCXDASHNWJQMW-ZDUSSCGKSA-N -1 3 360.366 2.657 20 5 FFBDHM COc1cc(C(=O)OCCOc2cccc([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000754275971 1023449190 /nfs/dbraw/zinc/44/91/90/1023449190.db2.gz LQLAMNGWWUFDGQ-UHFFFAOYSA-N -1 3 363.322 2.553 20 5 FFBDHM CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2)CC1 ZINC000779645044 1024352597 /nfs/dbraw/zinc/35/25/97/1024352597.db2.gz CJWQXNPOUUXCMS-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM O=C(CCNc1ccccc1[N+](=O)[O-])OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837371594 1025754144 /nfs/dbraw/zinc/75/41/44/1025754144.db2.gz YQQNXHAMHWKRQX-UHFFFAOYSA-N -1 3 358.354 2.513 20 5 FFBDHM COc1cc(F)c(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)cc1OC ZINC001212937160 1027444227 /nfs/dbraw/zinc/44/42/27/1027444227.db2.gz RCDIVFSMQNQALJ-UHFFFAOYSA-N -1 3 362.273 2.569 20 5 FFBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001154797315 1028459818 /nfs/dbraw/zinc/45/98/18/1028459818.db2.gz NXWKERQJBWHQKW-JTQLQIEISA-N -1 3 374.422 2.765 20 5 FFBDHM O=c1cc([C@H]2CCN(c3c(Br)cccc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001163643279 1029004254 /nfs/dbraw/zinc/00/42/54/1029004254.db2.gz RFKYCLIBJXCDHT-QMMMGPOBSA-N -1 3 353.176 2.780 20 5 FFBDHM O=c1cc(CNc2ncc([N+](=O)[O-])cc2Br)nc(C2CC2)[n-]1 ZINC001164138392 1029184949 /nfs/dbraw/zinc/18/49/49/1029184949.db2.gz WKVOFDOXLDOTLT-UHFFFAOYSA-N -1 3 366.175 2.737 20 5 FFBDHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1ccc([N+](=O)[O-])cc1F ZINC000783095943 1029894414 /nfs/dbraw/zinc/89/44/14/1029894414.db2.gz ZHYUUPJGQJADGR-UHFFFAOYSA-N -1 3 359.269 2.847 20 5 FFBDHM C[C@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001225660784 1034355341 /nfs/dbraw/zinc/35/53/41/1034355341.db2.gz GKTIPJQSRYNKBC-WDEREUQCSA-N -1 3 353.375 2.862 20 5 FFBDHM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227744706 1035710677 /nfs/dbraw/zinc/71/06/77/1035710677.db2.gz HYBSCLNPZMILRM-YNEHKIRRSA-N -1 3 367.402 2.695 20 5 FFBDHM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227744706 1035710689 /nfs/dbraw/zinc/71/06/89/1035710689.db2.gz HYBSCLNPZMILRM-YNEHKIRRSA-N -1 3 367.402 2.695 20 5 FFBDHM C[C@@H](Oc1nnc(-c2cccnc2)[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228696500 1036263809 /nfs/dbraw/zinc/26/38/09/1036263809.db2.gz YVXWHYHBPMBIED-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@@H](Oc1nc(-c2cccnc2)n[n-]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228696500 1036263831 /nfs/dbraw/zinc/26/38/31/1036263831.db2.gz YVXWHYHBPMBIED-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM C[C@@H](Oc1n[n-]c(-c2cccnc2)n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001228696500 1036263850 /nfs/dbraw/zinc/26/38/50/1036263850.db2.gz YVXWHYHBPMBIED-SECBINFHSA-N -1 3 355.310 2.644 20 5 FFBDHM COC(=O)c1cnc(=O)[n-]c1O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001229871606 1036949082 /nfs/dbraw/zinc/94/90/82/1036949082.db2.gz YTCBZYHALQBAQI-JTQLQIEISA-N -1 3 373.243 2.559 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)c([N+](=O)[O-])s1 ZINC001208512515 1038374042 /nfs/dbraw/zinc/37/40/42/1038374042.db2.gz KBVCUOUIOAXYAS-UHFFFAOYSA-N -1 3 370.452 2.939 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCC3)c(F)c1 ZINC001251135217 1038963415 /nfs/dbraw/zinc/96/34/15/1038963415.db2.gz YYWJVQZRTPRVLD-UHFFFAOYSA-N -1 3 350.371 2.701 20 5 FFBDHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001213247003 1040371008 /nfs/dbraw/zinc/37/10/08/1040371008.db2.gz ISVCJTKOSHYTMJ-BONVTDFDSA-N -1 3 370.814 2.649 20 5 FFBDHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC001213838696 1040983667 /nfs/dbraw/zinc/98/36/67/1040983667.db2.gz VHKKEZOSRBWXHZ-UHFFFAOYSA-N -1 3 353.400 2.549 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C(C)(C)[C@@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001309782896 1043523690 /nfs/dbraw/zinc/52/36/90/1043523690.db2.gz LEAUJOOYYUZCNZ-AWEZNQCLSA-N -1 3 360.407 2.668 20 5 FFBDHM COc1cc(NCc2c(F)cccc2[N-]S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001322474315 1046099582 /nfs/dbraw/zinc/09/95/82/1046099582.db2.gz HZAGMVHDZQICBK-UHFFFAOYSA-N -1 3 369.374 2.726 20 5 FFBDHM CCn1nc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c2ccccc21 ZINC001326324386 1046873960 /nfs/dbraw/zinc/87/39/60/1046873960.db2.gz WSRKDLPTQFVJLT-HNNXBMFYSA-N -1 3 368.393 2.750 20 5 FFBDHM O=C(Nc1ccnc(OCc2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001299941252 1050641536 /nfs/dbraw/zinc/64/15/36/1050641536.db2.gz DWNOAPZYOHZQRB-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM C[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC001301756382 1050975284 /nfs/dbraw/zinc/97/52/84/1050975284.db2.gz YFWDYMWGLOJCBL-SNVBAGLBSA-N -1 3 374.372 2.917 20 5 FFBDHM O=c1cc(CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)occ1[O-] ZINC001307841460 1052355935 /nfs/dbraw/zinc/35/59/35/1052355935.db2.gz HVGGGAWYFRKMBT-ZDUSSCGKSA-N -1 3 362.235 2.786 20 5 FFBDHM O=c1cc(CN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)occ1[O-] ZINC001307841459 1052356101 /nfs/dbraw/zinc/35/61/01/1052356101.db2.gz HVGGGAWYFRKMBT-CYBMUJFWSA-N -1 3 362.235 2.786 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c([N+](=O)[O-])s1 ZINC001309203025 1052573460 /nfs/dbraw/zinc/57/34/60/1052573460.db2.gz ZAHOPZXSVRFQEY-CHWSQXEVSA-N -1 3 352.437 2.874 20 5 FFBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001309332580 1052600707 /nfs/dbraw/zinc/60/07/07/1052600707.db2.gz RUXJZXNVMWUOOQ-SECBINFHSA-N -1 3 371.390 2.729 20 5 FFBDHM COc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)c([O-])c1 ZINC001447812339 1058710776 /nfs/dbraw/zinc/71/07/76/1058710776.db2.gz MBQAMYPMMDYCFA-UHFFFAOYSA-N -1 3 363.301 2.659 20 5 FFBDHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(F)cc(Br)c1F ZINC001521394213 1060572974 /nfs/dbraw/zinc/57/29/74/1060572974.db2.gz MPGZXWPNTZCGFC-UHFFFAOYSA-N -1 3 361.102 2.621 20 5 FFBDHM COC(=O)[C@@H](CC1CCCCC1)NCc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001462088260 1061501950 /nfs/dbraw/zinc/50/19/50/1061501950.db2.gz FVOHRWDWICPVMZ-CQSZACIVSA-N -1 3 366.414 2.911 20 5 FFBDHM Cc1n[nH]c(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463839369 1062287351 /nfs/dbraw/zinc/28/73/51/1062287351.db2.gz BYABSGINQQPVFI-SECBINFHSA-N -1 3 358.807 2.628 20 5 FFBDHM Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001463839386 1062288552 /nfs/dbraw/zinc/28/85/52/1062288552.db2.gz BYABSGINQQPVFI-VIFPVBQESA-N -1 3 358.807 2.628 20 5 FFBDHM C[C@@H]1Cc2cc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ccc2O1 ZINC001464461595 1062627558 /nfs/dbraw/zinc/62/75/58/1062627558.db2.gz JITRGQGZEQIFOW-SNVBAGLBSA-N -1 3 366.370 2.536 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001464691478 1062765009 /nfs/dbraw/zinc/76/50/09/1062765009.db2.gz YSZLYBOJCIYELV-SECBINFHSA-N -1 3 354.409 2.631 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001464879715 1062892325 /nfs/dbraw/zinc/89/23/25/1062892325.db2.gz IYPUZHLSVHQIJU-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001464879715 1062892345 /nfs/dbraw/zinc/89/23/45/1062892345.db2.gz IYPUZHLSVHQIJU-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM O=C([N-]c1cccc2nonc21)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001525706455 1063389002 /nfs/dbraw/zinc/38/90/02/1063389002.db2.gz LFLOXKSIOFLCGO-UHFFFAOYSA-N -1 3 356.294 2.545 20 5 FFBDHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC001470311672 1064303103 /nfs/dbraw/zinc/30/31/03/1064303103.db2.gz IAAJYIFILVGIGA-UHFFFAOYSA-N -1 3 355.253 2.558 20 5 FFBDHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC001575793837 1078168836 /nfs/dbraw/zinc/16/88/36/1078168836.db2.gz VFDFKCQKYIIRTC-SFHVURJKSA-N -1 3 366.381 2.675 20 5 FFBDHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])OCCc2ccccc21 ZINC001575793837 1078168839 /nfs/dbraw/zinc/16/88/39/1078168839.db2.gz VFDFKCQKYIIRTC-SFHVURJKSA-N -1 3 366.381 2.675 20 5 FFBDHM C[C@@]1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001575792958 1078169019 /nfs/dbraw/zinc/16/90/19/1078169019.db2.gz OJWMKWVQNNOSOR-HOCLYGCPSA-N -1 3 362.365 2.531 20 5 FFBDHM C[C@@]1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC001575792958 1078169020 /nfs/dbraw/zinc/16/90/20/1078169020.db2.gz OJWMKWVQNNOSOR-HOCLYGCPSA-N -1 3 362.365 2.531 20 5 FFBDHM C[C@@H]1c2ccccc2OCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576398656 1078225134 /nfs/dbraw/zinc/22/51/34/1078225134.db2.gz MDVMWGUCDDDOTF-GFCCVEGCSA-N -1 3 366.381 2.731 20 5 FFBDHM C[C@@H]1c2ccccc2OCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576398656 1078225140 /nfs/dbraw/zinc/22/51/40/1078225140.db2.gz MDVMWGUCDDDOTF-GFCCVEGCSA-N -1 3 366.381 2.731 20 5 FFBDHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001577109845 1078304837 /nfs/dbraw/zinc/30/48/37/1078304837.db2.gz DPWXRQJMIYGGKM-GJZGRUSLSA-N -1 3 360.418 2.805 20 5 FFBDHM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001577109845 1078304840 /nfs/dbraw/zinc/30/48/40/1078304840.db2.gz DPWXRQJMIYGGKM-GJZGRUSLSA-N -1 3 360.418 2.805 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC001580315455 1078786308 /nfs/dbraw/zinc/78/63/08/1078786308.db2.gz OOMMBBWSQWVJNE-GHMZBOCLSA-N -1 3 353.386 2.948 20 5 FFBDHM C[C@@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC001580315455 1078786314 /nfs/dbraw/zinc/78/63/14/1078786314.db2.gz OOMMBBWSQWVJNE-GHMZBOCLSA-N -1 3 353.386 2.948 20 5 FFBDHM Cc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001581197781 1078934285 /nfs/dbraw/zinc/93/42/85/1078934285.db2.gz PHWQDDMSZQCPPP-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001581197781 1078934305 /nfs/dbraw/zinc/93/43/05/1078934305.db2.gz PHWQDDMSZQCPPP-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1cccc2c1CN(c1cc(F)c(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC001581247760 1078945096 /nfs/dbraw/zinc/94/50/96/1078945096.db2.gz NPRWPOHRXACMGI-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1cccc2c1CN(c1cc(F)c(-c3nn[n-]n3)cc1[N+](=O)[O-])CC2 ZINC001581247760 1078945100 /nfs/dbraw/zinc/94/51/00/1078945100.db2.gz NPRWPOHRXACMGI-UHFFFAOYSA-N -1 3 354.345 2.785 20 5 FFBDHM Cc1csc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001581385778 1078956605 /nfs/dbraw/zinc/95/66/05/1078956605.db2.gz INBOWQOOBNWNJB-UHFFFAOYSA-N -1 3 373.398 2.809 20 5 FFBDHM Cc1csc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001581385778 1078956611 /nfs/dbraw/zinc/95/66/11/1078956611.db2.gz INBOWQOOBNWNJB-UHFFFAOYSA-N -1 3 373.398 2.809 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCC2(Cc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC001581909794 1079014987 /nfs/dbraw/zinc/01/49/87/1079014987.db2.gz VOWHRAVLBAXLEW-UHFFFAOYSA-N -1 3 365.397 2.792 20 5 FFBDHM Nc1c([N+](=O)[O-])ccc(NCC2(Cc3ccccc3)CC2)c1-c1nn[n-]n1 ZINC001581909794 1079014992 /nfs/dbraw/zinc/01/49/92/1079014992.db2.gz VOWHRAVLBAXLEW-UHFFFAOYSA-N -1 3 365.397 2.792 20 5 FFBDHM O=[N+]([O-])c1c(NCc2ccc(-c3nnn[n-]3)s2)ccc2cnccc21 ZINC001582802430 1079108705 /nfs/dbraw/zinc/10/87/05/1079108705.db2.gz UDHUOLOMFNTCAJ-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCCCc1ccc(O)cc1 ZINC001582803359 1079108716 /nfs/dbraw/zinc/10/87/16/1079108716.db2.gz DWEAZNQEXMTJRD-UHFFFAOYSA-N -1 3 358.333 2.664 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCCCc1ccc(O)cc1 ZINC001582803359 1079108720 /nfs/dbraw/zinc/10/87/20/1079108720.db2.gz DWEAZNQEXMTJRD-UHFFFAOYSA-N -1 3 358.333 2.664 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1CN[C@@H](CF)c1ccc(F)cc1 ZINC001582804259 1079109915 /nfs/dbraw/zinc/10/99/15/1079109915.db2.gz OZQFWZJPFVLAGL-AWEZNQCLSA-N -1 3 360.324 2.714 20 5 FFBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1CN[C@@H](CF)c1ccc(F)cc1 ZINC001582804259 1079109916 /nfs/dbraw/zinc/10/99/16/1079109916.db2.gz OZQFWZJPFVLAGL-AWEZNQCLSA-N -1 3 360.324 2.714 20 5 FFBDHM O=c1cc([C@H]2CCN(c3ccc(Br)cc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001559227305 1076137145 /nfs/dbraw/zinc/13/71/45/1076137145.db2.gz LAESIWUITZWNRG-QMMMGPOBSA-N -1 3 353.176 2.780 20 5 FFBDHM COc1c([O-])ccc(CNc2ccc3c(c2)N(C(N)=O)CCC3)c1[N+](=O)[O-] ZINC001560798547 1076300281 /nfs/dbraw/zinc/30/02/81/1076300281.db2.gz JUSVSPBPUCFLRK-UHFFFAOYSA-N -1 3 372.381 2.752 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@]2(C)c2ccccc2)c([N+](=O)[O-])s1 ZINC001561315592 1076361080 /nfs/dbraw/zinc/36/10/80/1076361080.db2.gz DHXRQNBITSSGBO-DZGCQCFKSA-N -1 3 352.437 2.973 20 5 FFBDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)s1 ZINC001561456052 1076379220 /nfs/dbraw/zinc/37/92/20/1076379220.db2.gz FRECMZCOPNZVPC-SECBINFHSA-N -1 3 373.431 2.889 20 5 FFBDHM CCOC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCCC1 ZINC001561597854 1076397181 /nfs/dbraw/zinc/39/71/81/1076397181.db2.gz CWKOPPMJYJMRKM-UHFFFAOYSA-N -1 3 360.407 2.670 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCc1ccoc1 ZINC001561755863 1076418158 /nfs/dbraw/zinc/41/81/58/1076418158.db2.gz XTWMULJCQFBAKO-UHFFFAOYSA-N -1 3 364.301 2.728 20 5 FFBDHM C[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589029456 1080315103 /nfs/dbraw/zinc/31/51/03/1080315103.db2.gz BCKVZERXVFINIJ-JTQLQIEISA-N -1 3 371.328 2.761 20 5 FFBDHM C[C@H](C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589029456 1080315106 /nfs/dbraw/zinc/31/51/06/1080315106.db2.gz BCKVZERXVFINIJ-JTQLQIEISA-N -1 3 371.328 2.761 20 5 FFBDHM CC(C)(C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC001589058406 1080331403 /nfs/dbraw/zinc/33/14/03/1080331403.db2.gz OJTXPEYDMSEQKZ-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC(C)(C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC001589058406 1080331408 /nfs/dbraw/zinc/33/14/08/1080331408.db2.gz OJTXPEYDMSEQKZ-UHFFFAOYSA-N -1 3 370.344 2.830 20 5 FFBDHM CC(C)(C)Oc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC001589202319 1080416304 /nfs/dbraw/zinc/41/63/04/1080416304.db2.gz UYVVGNLPDXXAJJ-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)(C)Oc1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC001589202319 1080416308 /nfs/dbraw/zinc/41/63/08/1080416308.db2.gz UYVVGNLPDXXAJJ-UHFFFAOYSA-N -1 3 369.385 2.959 20 5 FFBDHM CC(C)c1ccoc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589773220 1080728825 /nfs/dbraw/zinc/72/88/25/1080728825.db2.gz SYYAVTOFXTWXJD-UHFFFAOYSA-N -1 3 357.326 2.848 20 5 FFBDHM CC(C)c1ccoc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589773220 1080728831 /nfs/dbraw/zinc/72/88/31/1080728831.db2.gz SYYAVTOFXTWXJD-UHFFFAOYSA-N -1 3 357.326 2.848 20 5 FFBDHM C[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001589876119 1080824171 /nfs/dbraw/zinc/82/41/71/1080824171.db2.gz OQYVVJZTFPFCFV-NSHDSACASA-N -1 3 371.376 2.851 20 5 FFBDHM C[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001589876119 1080824177 /nfs/dbraw/zinc/82/41/77/1080824177.db2.gz OQYVVJZTFPFCFV-NSHDSACASA-N -1 3 371.376 2.851 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589936614 1080880294 /nfs/dbraw/zinc/88/02/94/1080880294.db2.gz LXHXFIATVZEJGH-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@H](NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589936614 1080880298 /nfs/dbraw/zinc/88/02/98/1080880298.db2.gz LXHXFIATVZEJGH-SECBINFHSA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC001589980501 1080918942 /nfs/dbraw/zinc/91/89/42/1080918942.db2.gz BPIKLVQINFNWRP-HZMBPMFUSA-N -1 3 352.354 2.752 20 5 FFBDHM CC1(C)CC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001590093107 1081004635 /nfs/dbraw/zinc/00/46/35/1081004635.db2.gz OFFLSHRTARXJMC-MRVPVSSYSA-N -1 3 350.766 2.803 20 5 FFBDHM CC1(C)CC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001590093107 1081004642 /nfs/dbraw/zinc/00/46/42/1081004642.db2.gz OFFLSHRTARXJMC-MRVPVSSYSA-N -1 3 350.766 2.803 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)Cc2ccccc2O1 ZINC001590107803 1081019212 /nfs/dbraw/zinc/01/92/12/1081019212.db2.gz FRGOCJLZGMLODR-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)Cc2ccccc2O1 ZINC001590107803 1081019220 /nfs/dbraw/zinc/01/92/20/1081019220.db2.gz FRGOCJLZGMLODR-UHFFFAOYSA-N -1 3 366.381 2.953 20 5 FFBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCOC2(CCC2)C1 ZINC001590135722 1081041432 /nfs/dbraw/zinc/04/14/32/1081041432.db2.gz NGEDBGMXGIXBAW-MRXNPFEDSA-N -1 3 358.402 2.926 20 5 FFBDHM C[C@@]1(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCOC2(CCC2)C1 ZINC001590135722 1081041439 /nfs/dbraw/zinc/04/14/39/1081041439.db2.gz NGEDBGMXGIXBAW-MRXNPFEDSA-N -1 3 358.402 2.926 20 5 FFBDHM CC1=C(C)C[C@@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590160355 1081059765 /nfs/dbraw/zinc/05/97/65/1081059765.db2.gz RQQMJUGCKSVWEO-ZDUSSCGKSA-N -1 3 357.370 2.955 20 5 FFBDHM CC1=C(C)C[C@@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590160355 1081059772 /nfs/dbraw/zinc/05/97/72/1081059772.db2.gz RQQMJUGCKSVWEO-ZDUSSCGKSA-N -1 3 357.370 2.955 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272485318 252050132 /nfs/dbraw/zinc/05/01/32/252050132.db2.gz ZMGCIFLVLNOPNC-LBPRGKRZSA-N -1 3 354.384 2.552 20 5 FFBDHM O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275080819 255953919 /nfs/dbraw/zinc/95/39/19/255953919.db2.gz DQASXYXOQBLTLM-CVEARBPZSA-N -1 3 373.365 2.630 20 5 FFBDHM CCOC(=O)c1nnc(C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)[n-]1 ZINC000278070151 256273019 /nfs/dbraw/zinc/27/30/19/256273019.db2.gz SYOOUDIALZODFI-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM CCOC(=O)c1nc(C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)n[n-]1 ZINC000278070151 256273021 /nfs/dbraw/zinc/27/30/21/256273021.db2.gz SYOOUDIALZODFI-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM CCOC(=O)c1n[n-]c(C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)n1 ZINC000278070151 256273022 /nfs/dbraw/zinc/27/30/22/256273022.db2.gz SYOOUDIALZODFI-UHFFFAOYSA-N -1 3 359.386 2.582 20 5 FFBDHM COC(=O)CCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000288896921 257236058 /nfs/dbraw/zinc/23/60/58/257236058.db2.gz RUTBQPYOOJYPQM-UHFFFAOYSA-N -1 3 365.264 2.620 20 5 FFBDHM CCOc1cccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c1[N+](=O)[O-] ZINC000302086031 258087253 /nfs/dbraw/zinc/08/72/53/258087253.db2.gz DYNLNBPKRAIMOS-UHFFFAOYSA-N -1 3 371.393 2.662 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000331105121 258177284 /nfs/dbraw/zinc/17/72/84/258177284.db2.gz QJSIGIYVLZEVNQ-LSDHHAIUSA-N -1 3 370.471 2.821 20 5 FFBDHM Cc1ccc2nc(C[N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cn2c1 ZINC000055296042 506721432 /nfs/dbraw/zinc/72/14/32/506721432.db2.gz NSJKQEAUFJJDQH-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c(F)c1 ZINC000055971279 506900556 /nfs/dbraw/zinc/90/05/56/506900556.db2.gz NJUJXARWEOLERY-UHFFFAOYSA-N -1 3 367.383 2.822 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cccc2cccnc21 ZINC000056009111 506910334 /nfs/dbraw/zinc/91/03/34/506910334.db2.gz FNKYTXLDMZPKLD-UHFFFAOYSA-N -1 3 371.418 2.972 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)OCO2 ZINC000056008122 506910543 /nfs/dbraw/zinc/91/05/43/506910543.db2.gz SOIUBYQAKGVKNE-SECBINFHSA-N -1 3 368.342 2.502 20 5 FFBDHM CCCOCc1ccccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000056102203 506935607 /nfs/dbraw/zinc/93/56/07/506935607.db2.gz CSBOSOSDGZBIEA-UHFFFAOYSA-N -1 3 364.423 3.000 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(-c2ccccc2)no1 ZINC000045812537 507026947 /nfs/dbraw/zinc/02/69/47/507026947.db2.gz KSKVUEUFQIHNFB-UHFFFAOYSA-N -1 3 359.363 2.728 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC000021178542 507247221 /nfs/dbraw/zinc/24/72/21/507247221.db2.gz WMIGQHMQYRBVSU-UHFFFAOYSA-N -1 3 358.322 2.675 20 5 FFBDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000058560528 507436351 /nfs/dbraw/zinc/43/63/51/507436351.db2.gz HXJPFKPMNGCGDV-UHFFFAOYSA-N -1 3 364.423 2.741 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000026880550 507617430 /nfs/dbraw/zinc/61/74/30/507617430.db2.gz YAGUUAXEQZRRBP-SNVBAGLBSA-N -1 3 356.425 2.574 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCOc1ccc(F)cc1 ZINC000063766420 507769228 /nfs/dbraw/zinc/76/92/28/507769228.db2.gz UDITZVVFJJRDRX-UHFFFAOYSA-N -1 3 368.386 2.790 20 5 FFBDHM COc1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029940166 507796558 /nfs/dbraw/zinc/79/65/58/507796558.db2.gz XYNDFVPTJBOSLM-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C)c1ccccc1 ZINC000030495419 507809271 /nfs/dbraw/zinc/80/92/71/507809271.db2.gz XHOHDUUQLLQDRK-GFCCVEGCSA-N -1 3 350.396 2.685 20 5 FFBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000074973730 508074726 /nfs/dbraw/zinc/07/47/26/508074726.db2.gz WYZFJEZGRPMPCS-GFCCVEGCSA-N -1 3 350.824 2.588 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1n1cccn1 ZINC000081187207 508146556 /nfs/dbraw/zinc/14/65/56/508146556.db2.gz NSFFYTLETZUNMM-UONOGXRCSA-N -1 3 364.427 2.562 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000077393603 508310101 /nfs/dbraw/zinc/31/01/01/508310101.db2.gz RZGIXWOFUFRUQT-UHFFFAOYSA-N -1 3 362.407 2.828 20 5 FFBDHM COC(=O)c1cc(C)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000103435886 508311549 /nfs/dbraw/zinc/31/15/49/508311549.db2.gz IQNAWXAFLURONN-UHFFFAOYSA-N -1 3 354.322 2.818 20 5 FFBDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000104755969 508345227 /nfs/dbraw/zinc/34/52/27/508345227.db2.gz CPIRLLUHSRPTOC-UHFFFAOYSA-N -1 3 355.441 2.827 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000127860954 508512079 /nfs/dbraw/zinc/51/20/79/508512079.db2.gz GXKUPGPEXWABBE-UKRRQHHQSA-N -1 3 356.444 2.513 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)c1cccc(C)c1 ZINC000153457788 508585301 /nfs/dbraw/zinc/58/53/01/508585301.db2.gz DBTXNRZVTJSTJW-ZDUSSCGKSA-N -1 3 364.423 2.994 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c([N+](=O)[O-])c1 ZINC000122911762 508606539 /nfs/dbraw/zinc/60/65/39/508606539.db2.gz ORNVXQWICDGMJC-UHFFFAOYSA-N -1 3 353.425 2.716 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCCCCC2)c(Cl)c1 ZINC000123448875 508689120 /nfs/dbraw/zinc/68/91/20/508689120.db2.gz WUULAGIPSRMWLN-UHFFFAOYSA-N -1 3 362.835 2.612 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)cc1[N+](=O)[O-] ZINC000124765083 508882238 /nfs/dbraw/zinc/88/22/38/508882238.db2.gz AYSWPXUVGAGRTR-SECBINFHSA-N -1 3 374.415 2.850 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1)c1nc(C)cs1 ZINC000150810763 508898335 /nfs/dbraw/zinc/89/83/35/508898335.db2.gz POVSQTNTNZMOEJ-LLVKDONJSA-N -1 3 371.440 2.798 20 5 FFBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000159900709 508908293 /nfs/dbraw/zinc/90/82/93/508908293.db2.gz SSQACRZIYOGCSA-QMMMGPOBSA-N -1 3 373.818 2.763 20 5 FFBDHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000131936859 508983866 /nfs/dbraw/zinc/98/38/66/508983866.db2.gz PGGUQZMGVCEIOR-AWEZNQCLSA-N -1 3 362.407 2.878 20 5 FFBDHM COc1ccccc1-c1nc(NC(=O)CCc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000125501870 508992314 /nfs/dbraw/zinc/99/23/14/508992314.db2.gz MTSXGSONPGGMAH-UHFFFAOYSA-N -1 3 367.365 2.960 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000126108394 509063845 /nfs/dbraw/zinc/06/38/45/509063845.db2.gz JMTXELPJOSUWDM-UHFFFAOYSA-N -1 3 362.473 2.576 20 5 FFBDHM Cn1ccnc1-c1csc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 ZINC000161244401 509091835 /nfs/dbraw/zinc/09/18/35/509091835.db2.gz JHSHXRYHBUBTME-UHFFFAOYSA-N -1 3 365.321 2.982 20 5 FFBDHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000156099774 509127014 /nfs/dbraw/zinc/12/70/14/509127014.db2.gz IQGWZKIMJGYVKA-UHFFFAOYSA-N -1 3 355.441 2.794 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000185469005 509192234 /nfs/dbraw/zinc/19/22/34/509192234.db2.gz PVUJQXFKFOYGKS-ZDUSSCGKSA-N -1 3 368.397 2.926 20 5 FFBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000185469005 509192240 /nfs/dbraw/zinc/19/22/40/509192240.db2.gz PVUJQXFKFOYGKS-ZDUSSCGKSA-N -1 3 368.397 2.926 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000162480668 509234040 /nfs/dbraw/zinc/23/40/40/509234040.db2.gz VTWGFPYCBOMDQQ-UHFFFAOYSA-N -1 3 368.349 2.829 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3cccc([N+](=O)[O-])c3)nc21 ZINC000162480668 509234045 /nfs/dbraw/zinc/23/40/45/509234045.db2.gz VTWGFPYCBOMDQQ-UHFFFAOYSA-N -1 3 368.349 2.829 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000173023086 509355078 /nfs/dbraw/zinc/35/50/78/509355078.db2.gz UIOVXRNVIBWIOU-UHFFFAOYSA-N -1 3 367.358 2.666 20 5 FFBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000248572165 509372245 /nfs/dbraw/zinc/37/22/45/509372245.db2.gz SNITUXQCCSORRC-CFVMTHIKSA-N -1 3 372.381 2.863 20 5 FFBDHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000248608091 509388584 /nfs/dbraw/zinc/38/85/84/509388584.db2.gz VWHLQTZXCJDQBM-GLQYFDAESA-N -1 3 372.381 2.863 20 5 FFBDHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000186019442 509484601 /nfs/dbraw/zinc/48/46/01/509484601.db2.gz UMYKLJCABLMWFN-ZIAGYGMSSA-N -1 3 360.407 2.606 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C12CCC2 ZINC000173382717 509565445 /nfs/dbraw/zinc/56/54/45/509565445.db2.gz PSCWHSGANCZNNJ-ZIAGYGMSSA-N -1 3 354.428 2.529 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cncc(Br)c1 ZINC000183386429 509755399 /nfs/dbraw/zinc/75/53/99/509755399.db2.gz YUNDMWMXAPZUDB-UHFFFAOYSA-N -1 3 372.200 2.694 20 5 FFBDHM CN1CCC(N(Cc2ccco2)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000183612429 509885658 /nfs/dbraw/zinc/88/56/58/509885658.db2.gz TTXXRDLRZGUBIY-UHFFFAOYSA-N -1 3 359.382 2.630 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000171042488 509904428 /nfs/dbraw/zinc/90/44/28/509904428.db2.gz YTYPUUYIPBDLCX-DOTOQJQBSA-N -1 3 362.407 2.793 20 5 FFBDHM Cc1nc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])sc1C ZINC000190076747 509923953 /nfs/dbraw/zinc/92/39/53/509923953.db2.gz DIEAFKPHBIBIAH-UHFFFAOYSA-N -1 3 369.468 2.806 20 5 FFBDHM CCO[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000193543066 509957357 /nfs/dbraw/zinc/95/73/57/509957357.db2.gz YKJFJMNGCOOWCT-OAHLLOKOSA-N -1 3 350.396 2.651 20 5 FFBDHM CCO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000193543489 509958024 /nfs/dbraw/zinc/95/80/24/509958024.db2.gz RYRWPMVRGYEXFA-KRWDZBQOSA-N -1 3 364.423 2.792 20 5 FFBDHM O=C(Nc1nnc(CC2CCCCC2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193549030 509961663 /nfs/dbraw/zinc/96/16/63/509961663.db2.gz MNGKVQZBIDSQQT-UHFFFAOYSA-N -1 3 363.399 2.922 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)cc1C ZINC000268973690 510170721 /nfs/dbraw/zinc/17/07/21/510170721.db2.gz MOKFHXSEJCQOGI-CYBMUJFWSA-N -1 3 354.428 2.592 20 5 FFBDHM O=C(Nc1ccc(Br)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187541269 510323115 /nfs/dbraw/zinc/32/31/15/510323115.db2.gz UFMPEIHGHZJANF-UHFFFAOYSA-N -1 3 356.107 2.849 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246153377 510324783 /nfs/dbraw/zinc/32/47/83/510324783.db2.gz BIELPFBVURLALQ-BMGDILEWSA-N -1 3 374.418 2.610 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC12CCOCC2 ZINC000282411731 510966157 /nfs/dbraw/zinc/96/61/57/510966157.db2.gz SQFHBFRNHFDGTL-CQSZACIVSA-N -1 3 354.428 2.531 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000273714898 511584181 /nfs/dbraw/zinc/58/41/81/511584181.db2.gz FWGYVRLCQNSGOK-CQSZACIVSA-N -1 3 354.384 2.552 20 5 FFBDHM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccccc1[O-] ZINC000302915996 511720084 /nfs/dbraw/zinc/72/00/84/511720084.db2.gz LPSGUFGECCJGPG-UHFFFAOYSA-N -1 3 357.322 2.627 20 5 FFBDHM C[C@H]1CN(c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000274964311 512000047 /nfs/dbraw/zinc/00/00/47/512000047.db2.gz LOPOIQDNMROWBE-RYUDHWBXSA-N -1 3 372.381 2.561 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000371960935 512655290 /nfs/dbraw/zinc/65/52/90/512655290.db2.gz POKXQHZWSDKJEY-ZDUSSCGKSA-N -1 3 368.798 2.801 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000382596361 512877478 /nfs/dbraw/zinc/87/74/78/512877478.db2.gz MKLCSJHZFALKRA-CQSZACIVSA-N -1 3 370.409 2.789 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CN2CCC[C@@H](C)C2)c1C ZINC000440080061 513243518 /nfs/dbraw/zinc/24/35/18/513243518.db2.gz QJAMHRIVIRAFSB-OCCSQVGLSA-N -1 3 369.487 2.610 20 5 FFBDHM CC[C@H](NC(=O)N=c1cc(OC(F)F)n(C)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000429642683 513429981 /nfs/dbraw/zinc/42/99/81/513429981.db2.gz AMMAIHULZAVDDL-NSHDSACASA-N -1 3 369.328 2.624 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C2CC2)C1 ZINC000425247546 513472410 /nfs/dbraw/zinc/47/24/10/513472410.db2.gz ZVCBTCAZPDVXDP-QWHCGFSZSA-N -1 3 354.428 2.851 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429912539 513496625 /nfs/dbraw/zinc/49/66/25/513496625.db2.gz WXWATJHZWHNYKB-UHFFFAOYSA-N -1 3 364.276 2.630 20 5 FFBDHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416440258 513772984 /nfs/dbraw/zinc/77/29/84/513772984.db2.gz CNZVAPKALCULAO-ZETCQYMHSA-N -1 3 358.363 2.643 20 5 FFBDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CS1 ZINC000416578123 513845090 /nfs/dbraw/zinc/84/50/90/513845090.db2.gz BRYSBFMKUGUZEB-YUMQZZPRSA-N -1 3 370.374 2.786 20 5 FFBDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CC1 ZINC000416587234 513850691 /nfs/dbraw/zinc/85/06/91/513850691.db2.gz HWLHPRIFILJSBS-WBMJQRKESA-N -1 3 356.444 2.694 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451638553 513878877 /nfs/dbraw/zinc/87/88/77/513878877.db2.gz DWKWRLRQYBNFJS-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ccc(O)cc2)cc1C ZINC000443276768 513917345 /nfs/dbraw/zinc/91/73/45/513917345.db2.gz YVTDZVYDDJIURD-UHFFFAOYSA-N -1 3 364.423 2.828 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCC=C(C)C ZINC000451733950 513947046 /nfs/dbraw/zinc/94/70/46/513947046.db2.gz BBUFBJJAUVLVKV-GFCCVEGCSA-N -1 3 370.427 2.795 20 5 FFBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cnn(-c2ccccc2)c1 ZINC000426789588 514042500 /nfs/dbraw/zinc/04/25/00/514042500.db2.gz WCJXNYQWASKRJH-SFHVURJKSA-N -1 3 366.377 2.566 20 5 FFBDHM COC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000444376396 514215339 /nfs/dbraw/zinc/21/53/39/514215339.db2.gz MOISHRZLCHGSDB-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000507920010 514612372 /nfs/dbraw/zinc/61/23/72/514612372.db2.gz IZCGHBJBWCHZTJ-UHFFFAOYSA-N -1 3 350.371 2.570 20 5 FFBDHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000466590301 514702349 /nfs/dbraw/zinc/70/23/49/514702349.db2.gz ZKHWJDOIRGGKQT-CABCVRRESA-N -1 3 374.846 2.732 20 5 FFBDHM COc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000503036408 514890935 /nfs/dbraw/zinc/89/09/35/514890935.db2.gz XOYASKZTHNXFFU-UHFFFAOYSA-N -1 3 357.244 2.975 20 5 FFBDHM CC[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000480375676 514936375 /nfs/dbraw/zinc/93/63/75/514936375.db2.gz GTHGPYVTLIVLIW-QGZVFWFLSA-N -1 3 369.421 2.867 20 5 FFBDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467415589 515000373 /nfs/dbraw/zinc/00/03/73/515000373.db2.gz ZMLUWNGDFSQNLK-UHFFFAOYSA-N -1 3 370.452 2.884 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000467415495 515000763 /nfs/dbraw/zinc/00/07/63/515000763.db2.gz BZBGBCJCHBZPFI-SECBINFHSA-N -1 3 374.415 2.850 20 5 FFBDHM COc1c(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)cccc1[N+](=O)[O-] ZINC000480589142 515010079 /nfs/dbraw/zinc/01/00/79/515010079.db2.gz SLBMHWWUGYHNCU-UHFFFAOYSA-N -1 3 371.328 2.704 20 5 FFBDHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc([N+](=O)[O-])c3N)[nH][n-]2)c1 ZINC000489962439 515048155 /nfs/dbraw/zinc/04/81/55/515048155.db2.gz XVUXLWZEPQJBTG-UHFFFAOYSA-N -1 3 351.366 2.858 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CN2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000480699838 515049782 /nfs/dbraw/zinc/04/97/82/515049782.db2.gz PJLIRYHJBRACAJ-SWLSCSKDSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000480726329 515059080 /nfs/dbraw/zinc/05/90/80/515059080.db2.gz HBOQUJJHGFREON-ZIAGYGMSSA-N -1 3 356.444 2.695 20 5 FFBDHM O=C(COc1cccc([N+](=O)[O-])c1)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467709276 515087945 /nfs/dbraw/zinc/08/79/45/515087945.db2.gz SCFQZODDKFDEFW-UHFFFAOYSA-N -1 3 374.303 2.703 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(C)C)C2(CO)CCC2)cc1C ZINC000490114820 515109934 /nfs/dbraw/zinc/10/99/34/515109934.db2.gz QVSVXQBZZYMNQJ-INIZCTEOSA-N -1 3 370.471 2.677 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c1C ZINC000498908124 515110644 /nfs/dbraw/zinc/11/06/44/515110644.db2.gz ATJDATJSGUENAL-CQSZACIVSA-N -1 3 360.391 2.818 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@@H](C)C2)c1C ZINC000480946222 515148515 /nfs/dbraw/zinc/14/85/15/515148515.db2.gz ANGOXYKWHRQZRB-OCCSQVGLSA-N -1 3 369.487 2.610 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2)c1C ZINC000481021455 515176032 /nfs/dbraw/zinc/17/60/32/515176032.db2.gz RTEOAIGRLURCBE-ZDUSSCGKSA-N -1 3 364.423 2.957 20 5 FFBDHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000462721082 515214177 /nfs/dbraw/zinc/21/41/77/515214177.db2.gz RQHIZRCKDKPKDH-GFCCVEGCSA-N -1 3 368.386 2.788 20 5 FFBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000490526675 515238224 /nfs/dbraw/zinc/23/82/24/515238224.db2.gz GTEPUOXVVGGUOO-UHFFFAOYSA-N -1 3 350.824 2.732 20 5 FFBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000481335472 515294334 /nfs/dbraw/zinc/29/43/34/515294334.db2.gz FDWOKXQOIRQLQG-DGCLKSJQSA-N -1 3 360.457 2.556 20 5 FFBDHM Cc1ccc(OCCC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000509732264 515306517 /nfs/dbraw/zinc/30/65/17/515306517.db2.gz YFSBNYJYGGWPGM-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccccc2N(C)C)c1C ZINC000477122811 515338428 /nfs/dbraw/zinc/33/84/28/515338428.db2.gz CHPBLBDDUDXFIR-UHFFFAOYSA-N -1 3 363.439 2.756 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000491203989 515394352 /nfs/dbraw/zinc/39/43/52/515394352.db2.gz VECOSKSOIPKSBK-NSHDSACASA-N -1 3 368.386 2.825 20 5 FFBDHM CCc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1[O-] ZINC000486401814 515468194 /nfs/dbraw/zinc/46/81/94/515468194.db2.gz XBNXGYNKACNEEC-CQSZACIVSA-N -1 3 356.382 2.584 20 5 FFBDHM CC(C)(C)C(=O)Nc1nccnc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000473350475 515584499 /nfs/dbraw/zinc/58/44/99/515584499.db2.gz NISZXECFJRGHIR-UHFFFAOYSA-N -1 3 361.333 2.761 20 5 FFBDHM COc1ccc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000468957422 515599719 /nfs/dbraw/zinc/59/97/19/515599719.db2.gz OIADBXVEQUUKHQ-UHFFFAOYSA-N -1 3 354.359 2.993 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2ccncc2F)c1[N+](=O)[O-] ZINC000510642200 515620844 /nfs/dbraw/zinc/62/08/44/515620844.db2.gz ADBBTJLSONQABS-LLVKDONJSA-N -1 3 353.375 2.785 20 5 FFBDHM CCc1nc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])sc1C(=O)OC ZINC000486928269 515688653 /nfs/dbraw/zinc/68/86/53/515688653.db2.gz NJWYATGZLNVIJQ-UHFFFAOYSA-N -1 3 365.367 2.661 20 5 FFBDHM COC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000478066352 515689499 /nfs/dbraw/zinc/68/94/99/515689499.db2.gz WPGHLCKOHHWGGI-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cccc([N+](=O)[O-])c2OC)c1F ZINC000478085605 515695143 /nfs/dbraw/zinc/69/51/43/515695143.db2.gz MXDFHGHTHIZRRN-UHFFFAOYSA-N -1 3 366.276 2.921 20 5 FFBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)c1F ZINC000478083883 515695518 /nfs/dbraw/zinc/69/55/18/515695518.db2.gz KVYHTDTUUURQKG-UHFFFAOYSA-N -1 3 351.265 2.615 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2cccc(F)c2)c1[N+](=O)[O-] ZINC000478162989 515721196 /nfs/dbraw/zinc/72/11/96/515721196.db2.gz LUGKSANOZPVLEG-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473855172 515778310 /nfs/dbraw/zinc/77/83/10/515778310.db2.gz HYCOAURUXFIPNQ-QMTHXVAHSA-N -1 3 362.411 2.711 20 5 FFBDHM COc1c(C(=O)[N-]c2cc3c(=O)[nH]cnc3cc2F)cccc1[N+](=O)[O-] ZINC000483160392 515961941 /nfs/dbraw/zinc/96/19/41/515961941.db2.gz RBJOTOGLPNQVFT-UHFFFAOYSA-N -1 3 358.285 2.644 20 5 FFBDHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000511872537 516060888 /nfs/dbraw/zinc/06/08/88/516060888.db2.gz MKFYHDNTBUZDOS-UHFFFAOYSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000507302792 516163985 /nfs/dbraw/zinc/16/39/85/516163985.db2.gz YHZRXJAXECQWBC-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2coc3ccccc23)c(F)c1 ZINC000512143387 516171396 /nfs/dbraw/zinc/17/13/96/516171396.db2.gz QSLLBCPWWQNNKN-UHFFFAOYSA-N -1 3 350.327 2.959 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@@H](C)C2)cc1C ZINC000497544739 516325843 /nfs/dbraw/zinc/32/58/43/516325843.db2.gz ZVCCAVRVXZRPOZ-DOMZBBRYSA-N -1 3 369.487 2.610 20 5 FFBDHM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(OC)ccc2[O-])cc1OC ZINC000535441940 516358492 /nfs/dbraw/zinc/35/84/92/516358492.db2.gz LANXNJMIMCWENW-UHFFFAOYSA-N -1 3 362.338 2.969 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1c2ccc(F)cc2O[C@H]1C ZINC000557860428 516476520 /nfs/dbraw/zinc/47/65/20/516476520.db2.gz YZQJJKAVACIBOY-BONVTDFDSA-N -1 3 366.370 2.843 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc2ccccc2n1 ZINC000524494841 516737106 /nfs/dbraw/zinc/73/71/06/516737106.db2.gz PNUWCDYFGORFNH-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000518705813 516747762 /nfs/dbraw/zinc/74/77/62/516747762.db2.gz BSZRZVJUHASZAM-UHFFFAOYSA-N -1 3 371.212 2.836 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000532395372 516951929 /nfs/dbraw/zinc/95/19/29/516951929.db2.gz QFPHSLBDXODWFK-NSHDSACASA-N -1 3 354.771 2.660 20 5 FFBDHM COC1CCC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000541828858 517236330 /nfs/dbraw/zinc/23/63/30/517236330.db2.gz IGNCOOJJAAMVRF-UHFFFAOYSA-N -1 3 360.407 2.608 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1F ZINC000515521774 517390957 /nfs/dbraw/zinc/39/09/57/517390957.db2.gz VJNIYQFGRKPKIK-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000546337681 517646542 /nfs/dbraw/zinc/64/65/42/517646542.db2.gz RAIHREJFHMUVEO-UHFFFAOYSA-N -1 3 374.378 2.992 20 5 FFBDHM COC1CCC(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000542762026 517723372 /nfs/dbraw/zinc/72/33/72/517723372.db2.gz VPDIJVWESDGNQM-UHFFFAOYSA-N -1 3 356.444 2.777 20 5 FFBDHM C[C@@H](c1ccccc1)N1CC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000516573331 517750573 /nfs/dbraw/zinc/75/05/73/517750573.db2.gz WFGNNGGCUUMFCD-GXTWGEPZSA-N -1 3 356.382 2.935 20 5 FFBDHM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000546877531 517901748 /nfs/dbraw/zinc/90/17/48/517901748.db2.gz LTTHWQBZOKXLJO-ZDUSSCGKSA-N -1 3 366.782 2.854 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000530677204 517917643 /nfs/dbraw/zinc/91/76/43/517917643.db2.gz VRIKMCCYBDSSDU-HNNXBMFYSA-N -1 3 364.448 2.904 20 5 FFBDHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000517087804 518018335 /nfs/dbraw/zinc/01/83/35/518018335.db2.gz NHRGHEPNLDOSHZ-UHFFFAOYSA-N -1 3 364.423 2.903 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000539859329 518172782 /nfs/dbraw/zinc/17/27/82/518172782.db2.gz ITHCJFQLQBJBRD-AWEZNQCLSA-N -1 3 350.396 2.569 20 5 FFBDHM CC(C)OCCN1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000566799818 518211008 /nfs/dbraw/zinc/21/10/08/518211008.db2.gz NOQHHISQQICUFZ-UHFFFAOYSA-N -1 3 351.403 2.594 20 5 FFBDHM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000584724907 518449326 /nfs/dbraw/zinc/44/93/26/518449326.db2.gz JRTHFTMPDOLNTM-MAZHCROVSA-N -1 3 357.366 2.935 20 5 FFBDHM Cc1nc([N+](=O)[O-])c(-c2noc(CCCc3ccc([O-])c(F)c3)n2)n1C ZINC000573166428 518534414 /nfs/dbraw/zinc/53/44/14/518534414.db2.gz VKXGCEJTJMUTRZ-UHFFFAOYSA-N -1 3 361.333 2.707 20 5 FFBDHM C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565024952 518747509 /nfs/dbraw/zinc/74/75/09/518747509.db2.gz OFQWBXKYHZYTKY-ZWNOBZJWSA-N -1 3 353.806 2.653 20 5 FFBDHM COc1cc(CN(C)C(C)(C)C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000576761208 518749985 /nfs/dbraw/zinc/74/99/85/518749985.db2.gz CMSGLXLUNWVIIM-UHFFFAOYSA-N -1 3 362.329 2.542 20 5 FFBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc(F)cc(F)c2F)cc([N+](=O)[O-])c1 ZINC000568080306 518864272 /nfs/dbraw/zinc/86/42/72/518864272.db2.gz XXGMWNYUVHAIKB-UHFFFAOYSA-N -1 3 374.296 2.668 20 5 FFBDHM COCC1(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCCCC1 ZINC000565803678 519139285 /nfs/dbraw/zinc/13/92/85/519139285.db2.gz IYYPGZLSYHVWNB-UHFFFAOYSA-N -1 3 356.444 2.778 20 5 FFBDHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000574464387 519167598 /nfs/dbraw/zinc/16/75/98/519167598.db2.gz HUHIFQFQBZZYIR-AWEZNQCLSA-N -1 3 368.393 2.988 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590588191 519276096 /nfs/dbraw/zinc/27/60/96/519276096.db2.gz FZTZCMKHJNWTMV-UHFFFAOYSA-N -1 3 368.386 2.667 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1[N+](=O)[O-] ZINC000569421877 519538461 /nfs/dbraw/zinc/53/84/61/519538461.db2.gz FKJKEBZYYUEUJY-MAZHCROVSA-N -1 3 368.455 2.694 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCN3CCCC[C@@H]23)c1C ZINC000594484040 519992132 /nfs/dbraw/zinc/99/21/32/519992132.db2.gz QERPHDQMDQERJK-CABCVRRESA-N -1 3 367.471 2.507 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCN2CCCC[C@@H]12 ZINC000594484115 519994531 /nfs/dbraw/zinc/99/45/31/519994531.db2.gz SIRPLRRLOFLHRE-OLZOCXBDSA-N -1 3 373.862 2.543 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594488857 519998333 /nfs/dbraw/zinc/99/83/33/519998333.db2.gz WMBQNHKJTWMWFY-DZGCQCFKSA-N -1 3 356.444 2.838 20 5 FFBDHM C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594540213 520018387 /nfs/dbraw/zinc/01/83/87/520018387.db2.gz QVZWRYLXLLPHMJ-WCFLWFBJSA-N -1 3 364.398 2.591 20 5 FFBDHM COc1cc(CNc2ccc(OCCC(C)C)nn2)c([N+](=O)[O-])cc1[O-] ZINC000594736912 520122552 /nfs/dbraw/zinc/12/25/52/520122552.db2.gz RTEIPLGIAIPNFM-UHFFFAOYSA-N -1 3 362.386 2.558 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCC1(F)CCC1 ZINC000594778232 520151969 /nfs/dbraw/zinc/15/19/69/520151969.db2.gz FIUBSGXYDJTYJT-UHFFFAOYSA-N -1 3 353.375 2.704 20 5 FFBDHM COc1cc(F)cc2sc([N-]C(=O)c3n[nH]c(C)c3[N+](=O)[O-])nc21 ZINC000609147380 520209619 /nfs/dbraw/zinc/20/96/19/520209619.db2.gz VAKGIBBPDIMDDK-UHFFFAOYSA-N -1 3 351.319 2.636 20 5 FFBDHM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccn1 ZINC000609197309 520228656 /nfs/dbraw/zinc/22/86/56/520228656.db2.gz PNKHNJICWUDDPQ-AWEZNQCLSA-N -1 3 365.411 2.818 20 5 FFBDHM CCCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000609420410 520306497 /nfs/dbraw/zinc/30/64/97/520306497.db2.gz GGGCKAJMLCRILN-UHFFFAOYSA-N -1 3 351.222 2.826 20 5 FFBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CC3)n2C)cc1SC ZINC000597898263 520313080 /nfs/dbraw/zinc/31/30/80/520313080.db2.gz XDIUZFVBSGPPSG-UHFFFAOYSA-N -1 3 363.399 2.584 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000603958701 520415960 /nfs/dbraw/zinc/41/59/60/520415960.db2.gz LGKGRNWQNCYWJY-GWCFXTLKSA-N -1 3 366.395 2.798 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2Cc3ccccc3C2)cc1C ZINC000609767748 520425412 /nfs/dbraw/zinc/42/54/12/520425412.db2.gz OJCVEEYHKWQXGU-UHFFFAOYSA-N -1 3 360.435 2.905 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)O)c1[N+](=O)[O-] ZINC000595406973 520449926 /nfs/dbraw/zinc/44/99/26/520449926.db2.gz LSCGYJVHIWEALQ-DZGCQCFKSA-N -1 3 364.423 2.612 20 5 FFBDHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000600801504 520477371 /nfs/dbraw/zinc/47/73/71/520477371.db2.gz QSIXIQLVFJOCPI-WBMJQRKESA-N -1 3 358.398 2.538 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598602531 520738096 /nfs/dbraw/zinc/73/80/96/520738096.db2.gz BIQUAWWYCWCKDD-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601383474 520767836 /nfs/dbraw/zinc/76/78/36/520767836.db2.gz QLQMXWBADHFKLG-ZYHUDNBSSA-N -1 3 362.473 2.837 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)cc1 ZINC000610711823 520808990 /nfs/dbraw/zinc/80/89/90/520808990.db2.gz NSTQJPDUUNAOOL-CQSZACIVSA-N -1 3 368.798 2.801 20 5 FFBDHM O=c1[n-]ccc(N2CCN(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000596078263 520899885 /nfs/dbraw/zinc/89/98/85/520899885.db2.gz USSXGGHNOBCSCD-UHFFFAOYSA-N -1 3 357.395 2.632 20 5 FFBDHM O=c1[n-]ccc(N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1[N+](=O)[O-] ZINC000596186795 520959706 /nfs/dbraw/zinc/95/97/06/520959706.db2.gz XZXDESQFUJFWPA-SNVBAGLBSA-N -1 3 370.287 2.767 20 5 FFBDHM COc1cc(OC)c(C[C@@H](C)Nc2cc[n-]c(=O)c2[N+](=O)[O-])c(OC)c1 ZINC000596253927 520996460 /nfs/dbraw/zinc/99/64/60/520996460.db2.gz ZMEUKBKMOPHHHZ-SNVBAGLBSA-N -1 3 363.370 2.764 20 5 FFBDHM O=C(N[C@@H](CN1CCCCC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618377314 521040390 /nfs/dbraw/zinc/04/03/90/521040390.db2.gz HXLWVJUZBQXAMQ-INIZCTEOSA-N -1 3 370.409 2.652 20 5 FFBDHM C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000593605515 521103632 /nfs/dbraw/zinc/10/36/32/521103632.db2.gz IEPMRQDRYAIOJA-KRWDZBQOSA-N -1 3 361.423 2.680 20 5 FFBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000599316083 521147036 /nfs/dbraw/zinc/14/70/36/521147036.db2.gz BQEZITYOZCQGGZ-UHFFFAOYSA-N -1 3 359.791 2.640 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCN1C1CCCCC1 ZINC000599391706 521193026 /nfs/dbraw/zinc/19/30/26/521193026.db2.gz QLYKBTLAIQAZMQ-OAHLLOKOSA-N -1 3 367.471 2.589 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)c1C ZINC000599464245 521240755 /nfs/dbraw/zinc/24/07/55/521240755.db2.gz KRSUZHRUQGFWQH-OAHLLOKOSA-N -1 3 367.471 2.507 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCc2cc(C)ccc21 ZINC000619478331 521589005 /nfs/dbraw/zinc/58/90/05/521589005.db2.gz BGXMADDFOODZOX-AWEZNQCLSA-N -1 3 362.407 2.878 20 5 FFBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000619714582 521834445 /nfs/dbraw/zinc/83/44/45/521834445.db2.gz ZIBSIWNTODONOA-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc([N+](=O)[O-])o1 ZINC000511275736 561863610 /nfs/dbraw/zinc/86/36/10/561863610.db2.gz FQVLQOXGKNCCAO-UHFFFAOYSA-N -1 3 351.116 2.850 20 5 FFBDHM C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N1CCCCC1=O ZINC000473307362 561047145 /nfs/dbraw/zinc/04/71/45/561047145.db2.gz OQQISKDYAWCWFZ-GFCCVEGCSA-N -1 3 371.397 2.715 20 5 FFBDHM CCOC(=O)c1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc([N+](=O)[O-])c1 ZINC000473850886 561059093 /nfs/dbraw/zinc/05/90/93/561059093.db2.gz PLKFDQDUEVVJBW-CQSZACIVSA-N -1 3 374.353 2.598 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C12CCCC2 ZINC000736615039 598977395 /nfs/dbraw/zinc/97/73/95/598977395.db2.gz XAAPOLLWDYSQMI-JKSUJKDBSA-N -1 3 372.429 2.949 20 5 FFBDHM CCO[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)C12CCCC2 ZINC000736615039 598977396 /nfs/dbraw/zinc/97/73/96/598977396.db2.gz XAAPOLLWDYSQMI-JKSUJKDBSA-N -1 3 372.429 2.949 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1ccccc1F ZINC000820280610 599066787 /nfs/dbraw/zinc/06/67/87/599066787.db2.gz KOHIAQGRTIHMJE-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1ccccc1F ZINC000820280610 599066789 /nfs/dbraw/zinc/06/67/89/599066789.db2.gz KOHIAQGRTIHMJE-JTQLQIEISA-N -1 3 358.333 2.793 20 5 FFBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)S1 ZINC000820766141 599074111 /nfs/dbraw/zinc/07/41/11/599074111.db2.gz ABIIMDNMUNSWTH-AOOOYVTPSA-N -1 3 371.426 2.653 20 5 FFBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H](C)S1 ZINC000820766141 599074113 /nfs/dbraw/zinc/07/41/13/599074113.db2.gz ABIIMDNMUNSWTH-AOOOYVTPSA-N -1 3 371.426 2.653 20 5 FFBDHM Cc1c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cccc1-c1nnn[n-]1 ZINC000822109291 607296873 /nfs/dbraw/zinc/29/68/73/607296873.db2.gz PHULSVNVSPDSRP-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM Cc1c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cccc1-c1nn[n-]n1 ZINC000822109291 607296874 /nfs/dbraw/zinc/29/68/74/607296874.db2.gz PHULSVNVSPDSRP-UHFFFAOYSA-N -1 3 363.337 2.817 20 5 FFBDHM CC(C)(C)c1csc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000735652673 598244866 /nfs/dbraw/zinc/24/48/66/598244866.db2.gz QOTANOVRAFVKDG-UHFFFAOYSA-N -1 3 374.430 2.579 20 5 FFBDHM CC(C)(C)c1csc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000735652673 598244868 /nfs/dbraw/zinc/24/48/68/598244868.db2.gz QOTANOVRAFVKDG-UHFFFAOYSA-N -1 3 374.430 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCCO[C@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738368154 598311087 /nfs/dbraw/zinc/31/10/87/598311087.db2.gz ACMUFFPFMFWLOD-KRWDZBQOSA-N -1 3 366.381 2.743 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CCCO[C@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000738368154 598311089 /nfs/dbraw/zinc/31/10/89/598311089.db2.gz ACMUFFPFMFWLOD-KRWDZBQOSA-N -1 3 366.381 2.743 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](c3ccccc3F)C2)c(-c2nnn[n-]2)c1 ZINC000738370926 598428188 /nfs/dbraw/zinc/42/81/88/598428188.db2.gz SOYYRBGVDQBKJZ-LLVKDONJSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](c3ccccc3F)C2)c(-c2nn[n-]n2)c1 ZINC000738370926 598428190 /nfs/dbraw/zinc/42/81/90/598428190.db2.gz SOYYRBGVDQBKJZ-LLVKDONJSA-N -1 3 354.345 2.908 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC3(CCC3)c3c2cccc3F)c(-c2nnn[n-]2)c1 ZINC000738369714 598501106 /nfs/dbraw/zinc/50/11/06/598501106.db2.gz MPGDESRFOXDWIF-UHFFFAOYSA-N -1 3 367.344 2.882 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC3(CCC3)c3c2cccc3F)c(-c2nn[n-]n2)c1 ZINC000738369714 598501108 /nfs/dbraw/zinc/50/11/08/598501108.db2.gz MPGDESRFOXDWIF-UHFFFAOYSA-N -1 3 367.344 2.882 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000738366094 598536739 /nfs/dbraw/zinc/53/67/39/598536739.db2.gz BYVXXDUSTLHNOQ-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000738366094 598536741 /nfs/dbraw/zinc/53/67/41/598536741.db2.gz BYVXXDUSTLHNOQ-UHFFFAOYSA-N -1 3 353.367 2.997 20 5 FFBDHM CCN1CCc2ccc(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])cc21 ZINC000736567657 598550706 /nfs/dbraw/zinc/55/07/06/598550706.db2.gz CXCXLTNJXUFPAI-UHFFFAOYSA-N -1 3 351.370 2.901 20 5 FFBDHM CCN1CCc2ccc(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])cc21 ZINC000736567657 598550707 /nfs/dbraw/zinc/55/07/07/598550707.db2.gz CXCXLTNJXUFPAI-UHFFFAOYSA-N -1 3 351.370 2.901 20 5 FFBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738150685 598568885 /nfs/dbraw/zinc/56/88/85/598568885.db2.gz BLTZTBKAZKBSGM-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738150685 598568887 /nfs/dbraw/zinc/56/88/87/598568887.db2.gz BLTZTBKAZKBSGM-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736827710 598632408 /nfs/dbraw/zinc/63/24/08/598632408.db2.gz AKVCQEBHYYNYMG-UHFFFAOYSA-N -1 3 371.332 2.578 20 5 FFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736827710 598632410 /nfs/dbraw/zinc/63/24/10/598632410.db2.gz AKVCQEBHYYNYMG-UHFFFAOYSA-N -1 3 371.332 2.578 20 5 FFBDHM CC(C)c1ccccc1OCCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735931664 598681082 /nfs/dbraw/zinc/68/10/82/598681082.db2.gz BHYMXOASKYTOJG-UHFFFAOYSA-N -1 3 369.385 2.784 20 5 FFBDHM CC(C)c1ccccc1OCCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735931664 598681083 /nfs/dbraw/zinc/68/10/83/598681083.db2.gz BHYMXOASKYTOJG-UHFFFAOYSA-N -1 3 369.385 2.784 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823639507 599580990 /nfs/dbraw/zinc/58/09/90/599580990.db2.gz BJPTVUZACMTLLR-AWEZNQCLSA-N -1 3 350.382 2.844 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823639507 599580991 /nfs/dbraw/zinc/58/09/91/599580991.db2.gz BJPTVUZACMTLLR-AWEZNQCLSA-N -1 3 350.382 2.844 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826293433 607415934 /nfs/dbraw/zinc/41/59/34/607415934.db2.gz PAUMPKYTXDNPRY-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826293433 607415936 /nfs/dbraw/zinc/41/59/36/607415936.db2.gz PAUMPKYTXDNPRY-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM CCCN(CCc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821099235 606240097 /nfs/dbraw/zinc/24/00/97/606240097.db2.gz CONLJRQCBJOFJY-UHFFFAOYSA-N -1 3 353.386 2.629 20 5 FFBDHM CCCN(CCc1ccccn1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821099235 606240100 /nfs/dbraw/zinc/24/01/00/606240100.db2.gz CONLJRQCBJOFJY-UHFFFAOYSA-N -1 3 353.386 2.629 20 5 FFBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000821123441 606280100 /nfs/dbraw/zinc/28/01/00/606280100.db2.gz SRTSBAJVYHKEBQ-UHFFFAOYSA-N -1 3 373.398 2.911 20 5 FFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)Oc1cccc(C)c1 ZINC000820907068 606427515 /nfs/dbraw/zinc/42/75/15/606427515.db2.gz AMWRGEBKIISAOQ-ZDUSSCGKSA-N -1 3 369.385 2.748 20 5 FFBDHM CC[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)Oc1cccc(C)c1 ZINC000820907068 606427517 /nfs/dbraw/zinc/42/75/17/606427517.db2.gz AMWRGEBKIISAOQ-ZDUSSCGKSA-N -1 3 369.385 2.748 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229338 606438920 /nfs/dbraw/zinc/43/89/20/606438920.db2.gz RYLDEFPLVRWMQQ-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229338 606438922 /nfs/dbraw/zinc/43/89/22/606438922.db2.gz RYLDEFPLVRWMQQ-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820803706 606474918 /nfs/dbraw/zinc/47/49/18/606474918.db2.gz GBWKRTDXDGUNJU-SJKOYZFVSA-N -1 3 366.381 2.741 20 5 FFBDHM C[C@@H]1CO[C@@H](c2ccccc2)CN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820803706 606474920 /nfs/dbraw/zinc/47/49/20/606474920.db2.gz GBWKRTDXDGUNJU-SJKOYZFVSA-N -1 3 366.381 2.741 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2sccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822229528 606543227 /nfs/dbraw/zinc/54/32/27/606543227.db2.gz WNAIRUWGHBMZNB-VIFPVBQESA-N -1 3 358.383 2.636 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822229528 606543229 /nfs/dbraw/zinc/54/32/29/606543229.db2.gz WNAIRUWGHBMZNB-VIFPVBQESA-N -1 3 358.383 2.636 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823422007 606568142 /nfs/dbraw/zinc/56/81/42/606568142.db2.gz MXBQUXVBQBFAEU-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823422007 606568144 /nfs/dbraw/zinc/56/81/44/606568144.db2.gz MXBQUXVBQBFAEU-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000823645961 606590559 /nfs/dbraw/zinc/59/05/59/606590559.db2.gz XXJHGUCZZCFXEB-UHFFFAOYSA-N -1 3 363.280 2.955 20 5 FFBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000823645961 606590561 /nfs/dbraw/zinc/59/05/61/606590561.db2.gz XXJHGUCZZCFXEB-UHFFFAOYSA-N -1 3 363.280 2.955 20 5 FFBDHM Cc1cccc(CC2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)c1 ZINC000822299560 606944894 /nfs/dbraw/zinc/94/48/94/606944894.db2.gz MXEWRQMUVKDYFM-UHFFFAOYSA-N -1 3 350.382 2.762 20 5 FFBDHM Cc1cccc(CC2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)c1 ZINC000822299560 606944896 /nfs/dbraw/zinc/94/48/96/606944896.db2.gz MXEWRQMUVKDYFM-UHFFFAOYSA-N -1 3 350.382 2.762 20 5 FFBDHM C[C@H](O)C[C@@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820474487 607045969 /nfs/dbraw/zinc/04/59/69/607045969.db2.gz RTYGEOBDXLYQFO-WFASDCNBSA-N -1 3 368.397 2.742 20 5 FFBDHM C[C@H](O)C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000820474487 607045971 /nfs/dbraw/zinc/04/59/71/607045971.db2.gz RTYGEOBDXLYQFO-WFASDCNBSA-N -1 3 368.397 2.742 20 5 FFBDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1[N+](=O)[O-] ZINC000822226425 607190094 /nfs/dbraw/zinc/19/00/94/607190094.db2.gz RNCBIYLLYXFOSY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1[N+](=O)[O-] ZINC000822226425 607190095 /nfs/dbraw/zinc/19/00/95/607190095.db2.gz RNCBIYLLYXFOSY-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822270876 607190887 /nfs/dbraw/zinc/19/08/87/607190887.db2.gz BFKPAKGJDNVVST-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822270876 607190888 /nfs/dbraw/zinc/19/08/88/607190888.db2.gz BFKPAKGJDNVVST-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM CC(=CC(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942544 608141748 /nfs/dbraw/zinc/14/17/48/608141748.db2.gz FWMNOPIFZCQATD-FMIVXFBMSA-N -1 3 365.349 2.922 20 5 FFBDHM CC(=CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942544 608141749 /nfs/dbraw/zinc/14/17/49/608141749.db2.gz FWMNOPIFZCQATD-FMIVXFBMSA-N -1 3 365.349 2.922 20 5 FFBDHM CC1(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)CCCC1 ZINC000824784634 608161099 /nfs/dbraw/zinc/16/10/99/608161099.db2.gz XPNDVMBFBJEZRY-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM CC1(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)CCCC1 ZINC000824784634 608161101 /nfs/dbraw/zinc/16/11/01/608161101.db2.gz XPNDVMBFBJEZRY-UHFFFAOYSA-N -1 3 350.766 2.947 20 5 FFBDHM CO[C@H]1CCC[C@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826145946 608414614 /nfs/dbraw/zinc/41/46/14/608414614.db2.gz NWIMZBYPRNHYAB-BONVTDFDSA-N -1 3 369.385 2.550 20 5 FFBDHM CO[C@H]1CCC[C@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826145946 608414615 /nfs/dbraw/zinc/41/46/15/608414615.db2.gz NWIMZBYPRNHYAB-BONVTDFDSA-N -1 3 369.385 2.550 20 5 FFBDHM Cc1nc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc2s1 ZINC000826329240 609316925 /nfs/dbraw/zinc/31/69/25/609316925.db2.gz VQHOVTKGCSATIW-UHFFFAOYSA-N -1 3 354.355 2.832 20 5 FFBDHM Cc1nc2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc2s1 ZINC000826329240 609316928 /nfs/dbraw/zinc/31/69/28/609316928.db2.gz VQHOVTKGCSATIW-UHFFFAOYSA-N -1 3 354.355 2.832 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826212425 609334197 /nfs/dbraw/zinc/33/41/97/609334197.db2.gz PRJNWVZKFKCVHC-JTQLQIEISA-N -1 3 372.360 2.773 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826212425 609334198 /nfs/dbraw/zinc/33/41/98/609334198.db2.gz PRJNWVZKFKCVHC-JTQLQIEISA-N -1 3 372.360 2.773 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826186106 609483647 /nfs/dbraw/zinc/48/36/47/609483647.db2.gz FITXCKXJUZSOTC-XQRVVYSFSA-N -1 3 352.354 2.909 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826186106 609483649 /nfs/dbraw/zinc/48/36/49/609483649.db2.gz FITXCKXJUZSOTC-XQRVVYSFSA-N -1 3 352.354 2.909 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826186105 609483813 /nfs/dbraw/zinc/48/38/13/609483813.db2.gz FITXCKXJUZSOTC-GQCTYLIASA-N -1 3 352.354 2.909 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1NCC=Cc1ccccc1[N+](=O)[O-] ZINC000826186105 609483815 /nfs/dbraw/zinc/48/38/15/609483815.db2.gz FITXCKXJUZSOTC-GQCTYLIASA-N -1 3 352.354 2.909 20 5 FFBDHM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000125599187 728685314 /nfs/dbraw/zinc/68/53/14/728685314.db2.gz HVUBYFIFMAHZTJ-UHFFFAOYSA-N -1 3 363.182 2.602 20 5 FFBDHM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000175112152 729087535 /nfs/dbraw/zinc/08/75/35/729087535.db2.gz KKEVFCCJJAAEDT-ZDUSSCGKSA-N -1 3 365.367 2.933 20 5 FFBDHM C[C@@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC000858780621 730433597 /nfs/dbraw/zinc/43/35/97/730433597.db2.gz RJQZKVMYJNVHTJ-GHMZBOCLSA-N -1 3 352.391 2.895 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCOC2)c(Cl)c1 ZINC000867736467 731218662 /nfs/dbraw/zinc/21/86/62/731218662.db2.gz MIEJWKXEAHJDQJ-NHYWBVRUSA-N -1 3 374.846 2.732 20 5 FFBDHM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000764221231 737003108 /nfs/dbraw/zinc/00/31/08/737003108.db2.gz MIAOQTJDSUPIJR-ZETCQYMHSA-N -1 3 361.745 2.716 20 5 FFBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000914468724 737580115 /nfs/dbraw/zinc/58/01/15/737580115.db2.gz MQCVBESRTBGFPT-FLIBITNWSA-N -1 3 361.379 2.618 20 5 FFBDHM O=C([N-][C@@H](CO)c1cccc(F)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778421925 738381560 /nfs/dbraw/zinc/38/15/60/738381560.db2.gz IYGLSLBNELXUTH-AWEZNQCLSA-N -1 3 354.284 2.676 20 5 FFBDHM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000853514553 750079686 /nfs/dbraw/zinc/07/96/86/750079686.db2.gz ORZNQXYWCYBPAT-MNOVXSKESA-N -1 3 352.391 2.943 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc(CN(C)C)cs2)c1F ZINC000854902434 750387504 /nfs/dbraw/zinc/38/75/04/750387504.db2.gz MHFSPLGEVWXDFM-UHFFFAOYSA-N -1 3 356.354 2.952 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826293578 947853854 /nfs/dbraw/zinc/85/38/54/947853854.db2.gz UODZCXMQLUSSPH-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826293578 947853860 /nfs/dbraw/zinc/85/38/60/947853860.db2.gz UODZCXMQLUSSPH-LBPRGKRZSA-N -1 3 367.365 2.930 20 5 FFBDHM O=C(Nc1ccc(OCc2cccnc2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000728609871 969063853 /nfs/dbraw/zinc/06/38/53/969063853.db2.gz ATKKZDWKJHQCNJ-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000156299201 984296621 /nfs/dbraw/zinc/29/66/21/984296621.db2.gz BXSCQRHDPOVUBQ-UHFFFAOYSA-N -1 3 359.357 2.970 20 5 FFBDHM CC1CCC(N2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000844211069 997728439 /nfs/dbraw/zinc/72/84/39/997728439.db2.gz GALWGHQMFJUCLS-UHFFFAOYSA-N -1 3 361.442 2.923 20 5 FFBDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC001144385018 998445844 /nfs/dbraw/zinc/44/58/44/998445844.db2.gz OSGJCAKOGWFOPP-UHFFFAOYSA-N -1 3 350.762 2.717 20 5 FFBDHM CO[C@@H](CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001599054800 999221822 /nfs/dbraw/zinc/22/18/22/999221822.db2.gz ZHUSYSSCSPXWKR-KRWDZBQOSA-N -1 3 360.366 2.536 20 5 FFBDHM O=C(Nc1ccc(OCc2cccnc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770423754 1000780063 /nfs/dbraw/zinc/78/00/63/1000780063.db2.gz CNLWNHMGPHBDDB-UHFFFAOYSA-N -1 3 366.333 2.922 20 5 FFBDHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000786031159 1001520556 /nfs/dbraw/zinc/52/05/56/1001520556.db2.gz OQDCRXNPJRSDRY-QMMMGPOBSA-N -1 3 361.285 2.992 20 5 FFBDHM COc1cc(CN[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000789899008 1002230841 /nfs/dbraw/zinc/23/08/41/1002230841.db2.gz RUAAHWDLUFEUBU-LBPRGKRZSA-N -1 3 360.366 2.745 20 5 FFBDHM COc1cc(CN[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000789899004 1002230858 /nfs/dbraw/zinc/23/08/58/1002230858.db2.gz RUAAHWDLUFEUBU-GFCCVEGCSA-N -1 3 360.366 2.745 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc(C(=O)OC)c2Cl)n1 ZINC001129447489 1003644041 /nfs/dbraw/zinc/64/40/41/1003644041.db2.gz KUFFETIRTZSMEP-UHFFFAOYSA-N -1 3 352.734 2.504 20 5 FFBDHM COCC1(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CCCC1 ZINC001191370863 1003801778 /nfs/dbraw/zinc/80/17/78/1003801778.db2.gz FFLXXXUHJQJXAN-UHFFFAOYSA-N -1 3 360.407 2.527 20 5 FFBDHM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001201231087 1005180659 /nfs/dbraw/zinc/18/06/59/1005180659.db2.gz CVUNSPIWRMPZEA-UHFFFAOYSA-N -1 3 358.398 2.804 20 5 FFBDHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000801150407 1020786847 /nfs/dbraw/zinc/78/68/47/1020786847.db2.gz SVGWJZKMTQUACX-UHFFFAOYSA-N -1 3 352.350 2.558 20 5 FFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000778796095 1022383994 /nfs/dbraw/zinc/38/39/94/1022383994.db2.gz VVZRDFKPIVKMIE-GFCCVEGCSA-N -1 3 358.350 2.643 20 5 FFBDHM COc1cc(OC[C@H]2C[C@H](O)C2)c2c(=O)c3c(O)ccc([O-])c3oc2c1 ZINC001218425299 1033149000 /nfs/dbraw/zinc/14/90/00/1033149000.db2.gz LUFPQAOKUAHQAL-MGCOHNPYSA-N -1 3 358.346 2.516 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2cc(F)c(F)c(F)c2F)no1 ZINC001212935966 1027436676 /nfs/dbraw/zinc/43/66/76/1027436676.db2.gz XQAUZNFVYJSMEK-UHFFFAOYSA-N -1 3 356.191 2.969 20 5 FFBDHM O=c1[n-]cnc2c1CN(c1c3cccc(Cl)c3ncc1[N+](=O)[O-])CC2 ZINC001163083927 1028789101 /nfs/dbraw/zinc/78/91/01/1028789101.db2.gz NLODFHWXPSXTTO-UHFFFAOYSA-N -1 3 357.757 2.855 20 5 FFBDHM CNC(=O)Nc1cc(NCc2ccc([O-])c(OC)c2[N+](=O)[O-])ccc1F ZINC001205749867 1031971772 /nfs/dbraw/zinc/97/17/72/1031971772.db2.gz FFRREQFOOYRRHL-UHFFFAOYSA-N -1 3 364.333 2.812 20 5 FFBDHM C[C@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225665433 1034360009 /nfs/dbraw/zinc/36/00/09/1034360009.db2.gz ZFUGCLORXPJPGD-QWRGUYRKSA-N -1 3 353.375 2.862 20 5 FFBDHM O=[N+]([O-])c1c([O-])ccnc1OC[C@@H]1Cc2cccc(Br)c2O1 ZINC001225667007 1034360260 /nfs/dbraw/zinc/36/02/60/1034360260.db2.gz NHOBARZQUBPMRG-VIFPVBQESA-N -1 3 367.155 2.840 20 5 FFBDHM O=c1nc2nc(Cl)ccc2c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[n-]1 ZINC001226550522 1034728552 /nfs/dbraw/zinc/72/85/52/1034728552.db2.gz RGQSZGAJOXWFDD-NSHDSACASA-N -1 3 358.741 2.838 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@H]2[C@@H]3C[C@H]2CN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228685378 1036254435 /nfs/dbraw/zinc/25/44/35/1036254435.db2.gz GRQPTSIGFKJPTC-HBYGRHMLSA-N -1 3 365.386 2.638 20 5 FFBDHM O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3)C2)cc1[O-] ZINC001231222177 1037503049 /nfs/dbraw/zinc/50/30/49/1037503049.db2.gz YNYUKCIOOJCSFS-ZDUSSCGKSA-N -1 3 359.338 2.862 20 5 FFBDHM COC(=O)c1cc2[nH]c(-c3cc([N+](=O)[O-])c(OC)cc3[O-])nc2cc1OC ZINC001251778389 1039298018 /nfs/dbraw/zinc/29/80/18/1039298018.db2.gz GHXLWTNPINOWSH-UHFFFAOYSA-N -1 3 373.321 2.648 20 5 FFBDHM Cc1nc[n-]c(=O)c1CCC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001321883857 1045856283 /nfs/dbraw/zinc/85/62/83/1045856283.db2.gz YVCVBGHYEAMMON-UHFFFAOYSA-N -1 3 351.746 2.728 20 5 FFBDHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]C1CC2(CC2(F)F)C1 ZINC001333164275 1048739553 /nfs/dbraw/zinc/73/95/53/1048739553.db2.gz ZQCYJYHOXOEYGA-UHFFFAOYSA-N -1 3 369.349 2.609 20 5 FFBDHM CC(C)c1nc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC001329784829 1048910862 /nfs/dbraw/zinc/91/08/62/1048910862.db2.gz OJFTXYVLVHNSRL-UHFFFAOYSA-N -1 3 354.164 2.851 20 5 FFBDHM COc1ccc(CNC[C@H](CCC(=O)[O-])C(F)(F)F)cc1[N+](=O)[O-] ZINC001329964185 1048986227 /nfs/dbraw/zinc/98/62/27/1048986227.db2.gz JNYGDPVFMXTSLN-JTQLQIEISA-N -1 3 350.293 2.736 20 5 FFBDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC001309077334 1052550981 /nfs/dbraw/zinc/55/09/81/1052550981.db2.gz POOUBMNIBKNPIW-SNVBAGLBSA-N -1 3 355.803 2.991 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)c([N+](=O)[O-])s1 ZINC001309217721 1052576783 /nfs/dbraw/zinc/57/67/83/1052576783.db2.gz OZWNHNIYOMBCCO-GFCCVEGCSA-N -1 3 362.473 2.574 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](OC(C)C)C2(C)C)c(F)cc1[N+](=O)[O-] ZINC001309381299 1052609115 /nfs/dbraw/zinc/60/91/15/1052609115.db2.gz LTFNWSORCNHNNC-HUUCEWRRSA-N -1 3 374.434 2.913 20 5 FFBDHM O=C(Nc1cccc(CN2CCC(O)CC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC001544893949 1071708335 /nfs/dbraw/zinc/70/83/35/1071708335.db2.gz ZQAZEXDODBDLIV-UHFFFAOYSA-N -1 3 371.393 2.509 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2cc(F)c(C=O)cc2F)cc([N+](=O)[O-])c1 ZINC001444661462 1058318897 /nfs/dbraw/zinc/31/88/97/1058318897.db2.gz HIGPZFXFXKICMU-UHFFFAOYSA-N -1 3 364.260 2.724 20 5 FFBDHM C[C@](CO)(NC(=O)c1cc([O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001454712974 1059614957 /nfs/dbraw/zinc/61/49/57/1059614957.db2.gz UBDHWQBYPAUUNK-MRXNPFEDSA-N -1 3 350.758 2.591 20 5 FFBDHM COc1ccc(Cl)cc1NC(=O)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001458229657 1060544953 /nfs/dbraw/zinc/54/49/53/1060544953.db2.gz LYCISFHWWWOMEJ-UHFFFAOYSA-N -1 3 366.761 2.798 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(O)c2)c(F)cc1[N+](=O)[O-] ZINC001475190513 1060988350 /nfs/dbraw/zinc/98/83/50/1060988350.db2.gz IJQDUJYKQRTYRI-SNVBAGLBSA-N -1 3 354.359 2.787 20 5 FFBDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F)C1CC1 ZINC001463886765 1062315251 /nfs/dbraw/zinc/31/52/51/1062315251.db2.gz ZDTJGOPXVJUXCG-ZUZCIYMTSA-N -1 3 360.407 2.524 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@H]1F ZINC001464348888 1062560614 /nfs/dbraw/zinc/56/06/14/1062560614.db2.gz NIMIARRHXPGAKW-CZUORRHYSA-N -1 3 350.371 2.899 20 5 FFBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)s1 ZINC001525688591 1063385732 /nfs/dbraw/zinc/38/57/32/1063385732.db2.gz WMEILUOUIMVMPM-UHFFFAOYSA-N -1 3 360.800 2.966 20 5 FFBDHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001470777718 1064448898 /nfs/dbraw/zinc/44/88/98/1064448898.db2.gz MANFZIOZHUQHMR-IFXJQAMLSA-N -1 3 369.421 2.941 20 5 FFBDHM CCC(CC)(CCO)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576719022 1078265207 /nfs/dbraw/zinc/26/52/07/1078265207.db2.gz VAKBGTHNCCLVAV-UHFFFAOYSA-N -1 3 352.370 2.515 20 5 FFBDHM CCC(CC)(CCO)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576719022 1078265210 /nfs/dbraw/zinc/26/52/10/1078265210.db2.gz VAKBGTHNCCLVAV-UHFFFAOYSA-N -1 3 352.370 2.515 20 5 FFBDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001579882836 1078707435 /nfs/dbraw/zinc/70/74/35/1078707435.db2.gz QHQUXOFDSHJLIE-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001579882836 1078707441 /nfs/dbraw/zinc/70/74/41/1078707441.db2.gz QHQUXOFDSHJLIE-SNVBAGLBSA-N -1 3 369.337 2.702 20 5 FFBDHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001580434616 1078803293 /nfs/dbraw/zinc/80/32/93/1078803293.db2.gz KYEBFYTZABWEKP-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001580434616 1078803297 /nfs/dbraw/zinc/80/32/97/1078803297.db2.gz KYEBFYTZABWEKP-VIFPVBQESA-N -1 3 372.772 2.919 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001581213903 1078939544 /nfs/dbraw/zinc/93/95/44/1078939544.db2.gz QDUPBMVUOWZDPW-UHFFFAOYSA-N -1 3 350.382 2.908 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C)c1CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001581213903 1078939548 /nfs/dbraw/zinc/93/95/48/1078939548.db2.gz QDUPBMVUOWZDPW-UHFFFAOYSA-N -1 3 350.382 2.908 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC(F)(F)C(F)F)cc(-c3nnn[n-]3)c2c1 ZINC001582804038 1079109549 /nfs/dbraw/zinc/10/95/49/1079109549.db2.gz GJBBIDVSCIFJTQ-UHFFFAOYSA-N -1 3 371.254 2.635 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NCC(F)(F)C(F)F)cc(-c3nn[n-]n3)c2c1 ZINC001582804038 1079109553 /nfs/dbraw/zinc/10/95/53/1079109553.db2.gz GJBBIDVSCIFJTQ-UHFFFAOYSA-N -1 3 371.254 2.635 20 5 FFBDHM COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001560690756 1076292118 /nfs/dbraw/zinc/29/21/18/1076292118.db2.gz FIZBBJBOZVGPEV-INIZCTEOSA-N -1 3 360.366 2.655 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3O[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC001561621057 1076399572 /nfs/dbraw/zinc/39/95/72/1076399572.db2.gz FYNJKEDTKMNVSF-HWPZZCPQSA-N -1 3 366.370 2.843 20 5 FFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001574296288 1077951051 /nfs/dbraw/zinc/95/10/51/1077951051.db2.gz CPEFWRUSGIUDAM-UHFFFAOYSA-N -1 3 373.398 2.909 20 5 FFBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001574296288 1077951055 /nfs/dbraw/zinc/95/10/55/1077951055.db2.gz CPEFWRUSGIUDAM-UHFFFAOYSA-N -1 3 373.398 2.909 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Cl)c(C(=O)OC)c2)n1 ZINC001586280044 1079589169 /nfs/dbraw/zinc/58/91/69/1079589169.db2.gz RQNXMNZCKSZBCQ-UHFFFAOYSA-N -1 3 370.724 2.643 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC001589017553 1080307985 /nfs/dbraw/zinc/30/79/85/1080307985.db2.gz FJZAYYQUNWAJGH-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC001589017553 1080307990 /nfs/dbraw/zinc/30/79/90/1080307990.db2.gz FJZAYYQUNWAJGH-MRVPVSSYSA-N -1 3 374.307 2.795 20 5 FFBDHM CC(C)(C)C1CC(C(=O)OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])C1 ZINC001589095820 1080351612 /nfs/dbraw/zinc/35/16/12/1080351612.db2.gz GXQNPHFYZHORTQ-UHFFFAOYSA-N -1 3 359.386 2.890 20 5 FFBDHM CC(C)(C)C1CC(C(=O)OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])C1 ZINC001589095820 1080351615 /nfs/dbraw/zinc/35/16/15/1080351615.db2.gz GXQNPHFYZHORTQ-UHFFFAOYSA-N -1 3 359.386 2.890 20 5 FFBDHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589316784 1080479109 /nfs/dbraw/zinc/47/91/09/1080479109.db2.gz BLZZZSLAJNTQLI-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC001589316784 1080479110 /nfs/dbraw/zinc/47/91/10/1080479110.db2.gz BLZZZSLAJNTQLI-UHFFFAOYSA-N -1 3 367.369 2.832 20 5 FFBDHM CC(C)COC1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001589640178 1080645761 /nfs/dbraw/zinc/64/57/61/1080645761.db2.gz CULBPVIDTNHFPC-UHFFFAOYSA-N -1 3 364.381 2.555 20 5 FFBDHM CC(C)COC1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001589640178 1080645765 /nfs/dbraw/zinc/64/57/65/1080645765.db2.gz CULBPVIDTNHFPC-UHFFFAOYSA-N -1 3 364.381 2.555 20 5 FFBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC001589980563 1080918887 /nfs/dbraw/zinc/91/88/87/1080918887.db2.gz CSAZSILSUXWQMX-SECBINFHSA-N -1 3 350.342 2.824 20 5 FFBDHM C[C@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001589990840 1080925451 /nfs/dbraw/zinc/92/54/51/1080925451.db2.gz LGZIDEHFGQYSJB-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001589990840 1080925456 /nfs/dbraw/zinc/92/54/56/1080925456.db2.gz LGZIDEHFGQYSJB-JTQLQIEISA-N -1 3 362.353 2.891 20 5 FFBDHM C[C@](O)(CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001589990993 1080926637 /nfs/dbraw/zinc/92/66/37/1080926637.db2.gz NEJRLDNFJMKEEW-INIZCTEOSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@](O)(CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001589990993 1080926641 /nfs/dbraw/zinc/92/66/41/1080926641.db2.gz NEJRLDNFJMKEEW-INIZCTEOSA-N -1 3 374.788 2.748 20 5 FFBDHM C[C@@]1(NCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001590148819 1081050652 /nfs/dbraw/zinc/05/06/52/1081050652.db2.gz UPROEDKVEGSGRK-GOSISDBHSA-N -1 3 366.381 2.562 20 5 FFBDHM C[C@@]1(NCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCOc2ccccc21 ZINC001590148819 1081050660 /nfs/dbraw/zinc/05/06/60/1081050660.db2.gz UPROEDKVEGSGRK-GOSISDBHSA-N -1 3 366.381 2.562 20 5 FFBDHM CC1=C(C)C[C@H](C(=O)OCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001590160354 1081060294 /nfs/dbraw/zinc/06/02/94/1081060294.db2.gz RQQMJUGCKSVWEO-CYBMUJFWSA-N -1 3 357.370 2.955 20 5 FFBDHM CC1=C(C)C[C@H](C(=O)OCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001590160354 1081060298 /nfs/dbraw/zinc/06/02/98/1081060298.db2.gz RQQMJUGCKSVWEO-CYBMUJFWSA-N -1 3 357.370 2.955 20 5 FFBDHM C[C@H]1[C@H](c2ccccc2)CCN1c1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590180540 1081073392 /nfs/dbraw/zinc/07/33/92/1081073392.db2.gz HGFCDXMXGFYEPR-SMDDNHRTSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@H]1[C@H](c2ccccc2)CCN1c1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590180540 1081073395 /nfs/dbraw/zinc/07/33/95/1081073395.db2.gz HGFCDXMXGFYEPR-SMDDNHRTSA-N -1 3 351.370 2.552 20 5 FFBDHM C[C@@H]1C[C@H](c2cccnc2)N(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001590213879 1081095942 /nfs/dbraw/zinc/09/59/42/1081095942.db2.gz FRBVOLWQDKDJEE-IAQYHMDHSA-N -1 3 351.370 2.757 20 5 FFBDHM C[C@@H]1C[C@H](c2cccnc2)N(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001590213879 1081095945 /nfs/dbraw/zinc/09/59/45/1081095945.db2.gz FRBVOLWQDKDJEE-IAQYHMDHSA-N -1 3 351.370 2.757 20 5 FFBDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000104756308 250185456 /nfs/dbraw/zinc/18/54/56/250185456.db2.gz CLISKKXHSYQAJX-UHFFFAOYSA-N -1 3 369.468 2.968 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)cc1C ZINC000106891195 250295962 /nfs/dbraw/zinc/29/59/62/250295962.db2.gz JXMMKJSWBRFXBN-AWEZNQCLSA-N -1 3 367.471 2.507 20 5 FFBDHM C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272677366 252097413 /nfs/dbraw/zinc/09/74/13/252097413.db2.gz MLWPHGYPEXNQPQ-CYBMUJFWSA-N -1 3 370.409 2.651 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000068838760 221319513 /nfs/dbraw/zinc/31/95/13/221319513.db2.gz QQUOFKUOKSBIDQ-UHFFFAOYSA-N -1 3 373.390 2.630 20 5 FFBDHM CCCOc1cc([N-]C(=O)c2ncn(C)n2)c([N+](=O)[O-])cc1OCCC ZINC000291214846 257391971 /nfs/dbraw/zinc/39/19/71/257391971.db2.gz ROLZAXPATNUCOE-UHFFFAOYSA-N -1 3 363.374 2.553 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000331125422 258177868 /nfs/dbraw/zinc/17/78/68/258177868.db2.gz YOEUWRGQWFIQLD-UONOGXRCSA-N -1 3 356.444 2.694 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000065794814 506366512 /nfs/dbraw/zinc/36/65/12/506366512.db2.gz VVRGCXZFCJGIIN-UHFFFAOYSA-N -1 3 370.814 2.778 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000409900417 512163591 /nfs/dbraw/zinc/16/35/91/512163591.db2.gz ANNAXGYAFQWHSS-OAHLLOKOSA-N -1 3 354.428 2.531 20 5 FFBDHM C[C@H]1[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000377347245 512226185 /nfs/dbraw/zinc/22/61/85/512226185.db2.gz QVJKBELFWPQPOR-SUMWQHHRSA-N -1 3 355.394 2.693 20 5 FFBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000058481384 507426516 /nfs/dbraw/zinc/42/65/16/507426516.db2.gz NRYTUKDTSYZJPT-UHFFFAOYSA-N -1 3 361.832 2.830 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)cc1C ZINC000060443100 507545166 /nfs/dbraw/zinc/54/51/66/507545166.db2.gz ZVCCAVRVXZRPOZ-WFASDCNBSA-N -1 3 369.487 2.610 20 5 FFBDHM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nc[nH]n2)cc1 ZINC000030638392 507811831 /nfs/dbraw/zinc/81/18/31/507811831.db2.gz WXBSMECDGGOHID-UHFFFAOYSA-N -1 3 355.310 2.766 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1c2ccccc2C[C@H]1C ZINC000111368011 508094466 /nfs/dbraw/zinc/09/44/66/508094466.db2.gz KOAHZQBXWQEEFH-PIGZYNQJSA-N -1 3 362.407 2.815 20 5 FFBDHM O=C(Nc1nc2c(s1)C(=O)CCC2)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000102157644 508268239 /nfs/dbraw/zinc/26/82/39/508268239.db2.gz ZMSDLGAHYGIQTL-UHFFFAOYSA-N -1 3 357.351 2.699 20 5 FFBDHM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(CN(C)C)c1 ZINC000114054183 508292463 /nfs/dbraw/zinc/29/24/63/508292463.db2.gz MFPHUXGRVSDYCL-UHFFFAOYSA-N -1 3 367.402 2.905 20 5 FFBDHM COC(=O)Cc1csc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000106465574 508401039 /nfs/dbraw/zinc/40/10/39/508401039.db2.gz XMNOQMGQCKVFQK-UHFFFAOYSA-N -1 3 355.759 2.673 20 5 FFBDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000134169585 508502557 /nfs/dbraw/zinc/50/25/57/508502557.db2.gz OBFRGAQPMDTPJP-LLVKDONJSA-N -1 3 366.370 2.674 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000128923016 508660616 /nfs/dbraw/zinc/66/06/16/508660616.db2.gz WWYMSIDNMRDBJI-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COC(=O)c1cc([N-]C(=O)c2noc3c2CCCCC3)cc([N+](=O)[O-])c1 ZINC000153906792 508674388 /nfs/dbraw/zinc/67/43/88/508674388.db2.gz NYUZSIWRSALZFV-UHFFFAOYSA-N -1 3 359.338 2.891 20 5 FFBDHM C[C@H](C[C@H](O)c1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000123928013 508759216 /nfs/dbraw/zinc/75/92/16/508759216.db2.gz NQJDYCPYAWHCJQ-ABAIWWIYSA-N -1 3 368.386 2.524 20 5 FFBDHM COc1ccc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)cc1F ZINC000159373079 508832535 /nfs/dbraw/zinc/83/25/35/508832535.db2.gz IAXMVQKXUFTJHD-UHFFFAOYSA-N -1 3 363.330 2.841 20 5 FFBDHM COCc1cccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000119690017 508844810 /nfs/dbraw/zinc/84/48/10/508844810.db2.gz QUZFPHJRHOFGIP-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2n2cccn2)cc1[N+](=O)[O-] ZINC000124919005 508905468 /nfs/dbraw/zinc/90/54/68/508905468.db2.gz FXMPZRHUBUVVHB-NWDGAFQWSA-N -1 3 370.456 2.623 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)c(F)c1 ZINC000155410999 508995562 /nfs/dbraw/zinc/99/55/62/508995562.db2.gz KTBKTVNHSUMIFU-AWEZNQCLSA-N -1 3 366.370 2.926 20 5 FFBDHM COc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000191952557 509260616 /nfs/dbraw/zinc/26/06/16/509260616.db2.gz DEXVRCKYYGIHLV-UHFFFAOYSA-N -1 3 373.409 2.513 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000186028366 509488480 /nfs/dbraw/zinc/48/84/80/509488480.db2.gz HLZGUUCEJOUZBH-OAHLLOKOSA-N -1 3 372.349 2.539 20 5 FFBDHM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173605158 509671524 /nfs/dbraw/zinc/67/15/24/509671524.db2.gz YMDYKOUTRQSGSA-NSHDSACASA-N -1 3 371.846 2.886 20 5 FFBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1F ZINC000173731857 509743747 /nfs/dbraw/zinc/74/37/47/509743747.db2.gz QLOLIBJHZSLWBZ-JTQLQIEISA-N -1 3 372.349 2.619 20 5 FFBDHM CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180190409 509801167 /nfs/dbraw/zinc/80/11/67/509801167.db2.gz XCOGMTDXVNYDPH-UHFFFAOYSA-N -1 3 357.410 2.941 20 5 FFBDHM Cc1sc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000173976333 509884622 /nfs/dbraw/zinc/88/46/22/509884622.db2.gz LFCUHVSMXOEPCQ-UHFFFAOYSA-N -1 3 369.424 2.897 20 5 FFBDHM O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187190259 510113143 /nfs/dbraw/zinc/11/31/43/510113143.db2.gz NCFFEJIOJNGKJN-UHFFFAOYSA-N -1 3 361.264 2.616 20 5 FFBDHM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nn1-c1cccc(F)c1 ZINC000180966666 510214631 /nfs/dbraw/zinc/21/46/31/510214631.db2.gz GGBIMRZBFPGOMP-UHFFFAOYSA-N -1 3 357.301 2.581 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](CCO)c2ccco2)c1 ZINC000184274052 510232492 /nfs/dbraw/zinc/23/24/92/510232492.db2.gz GZENVBRPRBJNNO-SNVBAGLBSA-N -1 3 374.802 2.552 20 5 FFBDHM COc1cc(OC)cc(N(C)C(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000191087063 510497939 /nfs/dbraw/zinc/49/79/39/510497939.db2.gz UULDBZANVVDWBW-UHFFFAOYSA-N -1 3 356.338 2.765 20 5 FFBDHM Cc1ccc(C(=O)NCCC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c([O-])c1 ZINC000184795062 510518617 /nfs/dbraw/zinc/51/86/17/510518617.db2.gz CEBZXTXEEMMTGB-UHFFFAOYSA-N -1 3 371.393 2.984 20 5 FFBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000175438263 510648407 /nfs/dbraw/zinc/64/84/07/510648407.db2.gz ZUSZPYHZDSRDMF-SJORKVTESA-N -1 3 362.407 2.544 20 5 FFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)ccc2F)n1 ZINC000191563079 510724786 /nfs/dbraw/zinc/72/47/86/510724786.db2.gz ATZQAYIDEHYIII-UHFFFAOYSA-N -1 3 357.139 2.965 20 5 FFBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000292097254 511462887 /nfs/dbraw/zinc/46/28/87/511462887.db2.gz TYXPKDIMJKJYEI-UHFFFAOYSA-N -1 3 353.400 2.631 20 5 FFBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000302968865 511722048 /nfs/dbraw/zinc/72/20/48/511722048.db2.gz HXERPBCZMAQJET-AWEZNQCLSA-N -1 3 367.427 2.549 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C ZINC000308413397 511767498 /nfs/dbraw/zinc/76/74/98/511767498.db2.gz FWDJBGXBOWPGJI-MEDUHNTESA-N -1 3 370.427 2.629 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000323948307 511832813 /nfs/dbraw/zinc/83/28/13/511832813.db2.gz WCXVXRHXEAFPAG-OAHLLOKOSA-N -1 3 369.421 2.895 20 5 FFBDHM CCOc1cc2c(cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000275020370 512018139 /nfs/dbraw/zinc/01/81/39/512018139.db2.gz ZRIIQCKXAHERHF-VIFPVBQESA-N -1 3 359.338 2.670 20 5 FFBDHM CC(=O)N1Cc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc2C1 ZINC000370267421 512850062 /nfs/dbraw/zinc/85/00/62/512850062.db2.gz YLQCTAPOCYTLHM-UHFFFAOYSA-N -1 3 365.349 2.586 20 5 FFBDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000389803781 512902395 /nfs/dbraw/zinc/90/23/95/512902395.db2.gz UIPZXLIYCHKAIB-IUODEOHRSA-N -1 3 356.382 2.620 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(F)c1 ZINC000435229904 513539160 /nfs/dbraw/zinc/53/91/60/513539160.db2.gz MPMQFEOXNSWFPN-XOKHGSTOSA-N -1 3 362.382 2.741 20 5 FFBDHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451333351 513682330 /nfs/dbraw/zinc/68/23/30/513682330.db2.gz XZWFRHFGMIDSKE-GFCCVEGCSA-N -1 3 370.287 2.862 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC1(C2CCC2)CCC1 ZINC000416500040 513802968 /nfs/dbraw/zinc/80/29/68/513802968.db2.gz AZVZTOPIBABMNM-UHFFFAOYSA-N -1 3 354.428 2.852 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1F ZINC000416526437 513818074 /nfs/dbraw/zinc/81/80/74/513818074.db2.gz CTDYFOMMYWGSFV-GXTWGEPZSA-N -1 3 366.370 2.577 20 5 FFBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431163124 513842261 /nfs/dbraw/zinc/84/22/61/513842261.db2.gz MCWPUPBPHUUQQP-UHFFFAOYSA-N -1 3 360.313 2.997 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])c1 ZINC000443092216 513868978 /nfs/dbraw/zinc/86/89/78/513868978.db2.gz JFVVLWCGOPVCQU-UHFFFAOYSA-N -1 3 359.407 2.906 20 5 FFBDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436775812 513976310 /nfs/dbraw/zinc/97/63/10/513976310.db2.gz RRNCUQJEDDKGGZ-HIFRSBDPSA-N -1 3 355.394 2.866 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000451803952 513991045 /nfs/dbraw/zinc/99/10/45/513991045.db2.gz SNLVCIZLRTZJBW-NSHDSACASA-N -1 3 360.457 2.592 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000451815010 513998653 /nfs/dbraw/zinc/99/86/53/513998653.db2.gz GXXLWNJYDMGYSO-UKRRQHHQSA-N -1 3 356.444 2.633 20 5 FFBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CC12CCSCC2 ZINC000449836483 514380533 /nfs/dbraw/zinc/38/05/33/514380533.db2.gz UVQZYZPDTVCTAS-CYBMUJFWSA-N -1 3 358.423 2.879 20 5 FFBDHM CCOC[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417599286 514431526 /nfs/dbraw/zinc/43/15/26/514431526.db2.gz DHBJSISRHUPZMI-INIZCTEOSA-N -1 3 373.409 2.942 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC000433462517 514499529 /nfs/dbraw/zinc/49/95/29/514499529.db2.gz ZRQWZZIRAPJWOX-UONOGXRCSA-N -1 3 354.428 2.851 20 5 FFBDHM COc1ccc2c(c1)N(C(=O)c1n[n-]c3ccc([N+](=O)[O-])cc31)C[C@@H](C)O2 ZINC000461324924 514569418 /nfs/dbraw/zinc/56/94/18/514569418.db2.gz SMSLLIATXMKNRN-SNVBAGLBSA-N -1 3 368.349 2.907 20 5 FFBDHM COCc1ccccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000497783099 514636627 /nfs/dbraw/zinc/63/66/27/514636627.db2.gz VOBHMGXYQJKGER-UHFFFAOYSA-N -1 3 364.423 2.837 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCO[C@H]2C2CC2)cc1C ZINC000466588675 514700963 /nfs/dbraw/zinc/70/09/63/514700963.db2.gz WTSYYEQDWGMOOU-IRXDYDNUSA-N -1 3 368.455 2.695 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1C ZINC000466588674 514701212 /nfs/dbraw/zinc/70/12/12/514701212.db2.gz WTSYYEQDWGMOOU-IAGOWNOFSA-N -1 3 368.455 2.695 20 5 FFBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO[C@@H]1C1CC1 ZINC000466590303 514702315 /nfs/dbraw/zinc/70/23/15/514702315.db2.gz ZKHWJDOIRGGKQT-HUUCEWRRSA-N -1 3 374.846 2.732 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)o1 ZINC000479952763 514789928 /nfs/dbraw/zinc/78/99/28/514789928.db2.gz XDEDHXKNLPBTLL-AWEZNQCLSA-N -1 3 368.411 2.861 20 5 FFBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000466927562 514829463 /nfs/dbraw/zinc/82/94/63/514829463.db2.gz ZOIPIWHSXKPRDJ-UHFFFAOYSA-N -1 3 362.835 2.733 20 5 FFBDHM COCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(C)o1 ZINC000467055141 514879701 /nfs/dbraw/zinc/87/97/01/514879701.db2.gz ANQNSXLCAZLEAV-NSHDSACASA-N -1 3 374.440 2.922 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000467081159 514890653 /nfs/dbraw/zinc/89/06/53/514890653.db2.gz KZJURDDBSRJEQU-SECBINFHSA-N -1 3 356.425 2.580 20 5 FFBDHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000462133009 514903878 /nfs/dbraw/zinc/90/38/78/514903878.db2.gz XGPLWHJLXFCIIB-UHFFFAOYSA-N -1 3 362.407 2.767 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1n[n-]c(C(F)(F)F)n1 ZINC000480286383 514908952 /nfs/dbraw/zinc/90/89/52/514908952.db2.gz HGMFMSZOFIDSLJ-UHFFFAOYSA-N -1 3 367.085 2.501 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000480286383 514908960 /nfs/dbraw/zinc/90/89/60/514908960.db2.gz HGMFMSZOFIDSLJ-UHFFFAOYSA-N -1 3 367.085 2.501 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cnc1NCc1nnc(C(F)(F)F)[n-]1 ZINC000480286383 514908945 /nfs/dbraw/zinc/90/89/45/514908945.db2.gz HGMFMSZOFIDSLJ-UHFFFAOYSA-N -1 3 367.085 2.501 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nnc(C(C)C)s2)c1C ZINC000480827978 515096462 /nfs/dbraw/zinc/09/64/62/515096462.db2.gz YYRABHNIQWQYDS-UHFFFAOYSA-N -1 3 370.456 2.665 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@](C)(O)C2CCCCC2)c1[N+](=O)[O-] ZINC000480847871 515107739 /nfs/dbraw/zinc/10/77/39/515107739.db2.gz BMQLNUIPLCEZCE-KRWDZBQOSA-N -1 3 370.471 2.821 20 5 FFBDHM O=C(CNc1ccccc1[N+](=O)[O-])N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000467805833 515128743 /nfs/dbraw/zinc/12/87/43/515128743.db2.gz OQJBETNVYBIKQM-UHFFFAOYSA-N -1 3 373.319 2.736 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2cccc(F)c2)c1C ZINC000480933411 515141098 /nfs/dbraw/zinc/14/10/98/515141098.db2.gz KIOKMXODFFZANI-UHFFFAOYSA-N -1 3 352.387 2.872 20 5 FFBDHM CNC(=O)c1ccc(Cl)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000485742527 515167730 /nfs/dbraw/zinc/16/77/30/515167730.db2.gz NRFJQZWIHKRWRT-UHFFFAOYSA-N -1 3 373.756 2.736 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2)c1C ZINC000481021453 515174654 /nfs/dbraw/zinc/17/46/54/515174654.db2.gz RTEOAIGRLURCBE-CYBMUJFWSA-N -1 3 364.423 2.957 20 5 FFBDHM Cc1ccn2cc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)nc2c1 ZINC000499070552 515188148 /nfs/dbraw/zinc/18/81/48/515188148.db2.gz AJGWNSOWVDXWIW-UHFFFAOYSA-N -1 3 362.349 2.615 20 5 FFBDHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000462711716 515205975 /nfs/dbraw/zinc/20/59/75/515205975.db2.gz LRNNKSXUAVRAIN-AWEZNQCLSA-N -1 3 364.423 2.957 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000499703827 515419479 /nfs/dbraw/zinc/41/94/79/515419479.db2.gz GKBHFRPUODNQGL-SNVBAGLBSA-N -1 3 364.370 2.707 20 5 FFBDHM CCC1CCC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CC1 ZINC000468784037 515517950 /nfs/dbraw/zinc/51/79/50/515517950.db2.gz CCFMJJTZFOYBQR-UHFFFAOYSA-N -1 3 370.427 2.629 20 5 FFBDHM CC[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000500103104 515591655 /nfs/dbraw/zinc/59/16/55/515591655.db2.gz QMGUTZWQAWCWCI-OAHLLOKOSA-N -1 3 369.487 2.754 20 5 FFBDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469051355 515646835 /nfs/dbraw/zinc/64/68/35/515646835.db2.gz VGCJWIROOCKMPI-RISCZKNCSA-N -1 3 370.427 2.629 20 5 FFBDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000469051443 515647327 /nfs/dbraw/zinc/64/73/27/515647327.db2.gz VGCJWIROOCKMPI-SMDDNHRTSA-N -1 3 370.427 2.629 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCOc2ccccc2)c1[N+](=O)[O-] ZINC000478154481 515719390 /nfs/dbraw/zinc/71/93/90/515719390.db2.gz RHKUZMHGYTUCFD-UHFFFAOYSA-N -1 3 364.423 2.959 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c([N+](=O)[O-])c1 ZINC000511397946 515891065 /nfs/dbraw/zinc/89/10/65/515891065.db2.gz NCXCRDLZOQNVMX-UHFFFAOYSA-N -1 3 368.333 2.614 20 5 FFBDHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506475734 515893946 /nfs/dbraw/zinc/89/39/46/515893946.db2.gz YSLDHNOSCXBGMM-INIZCTEOSA-N -1 3 355.394 2.695 20 5 FFBDHM O=C(NCc1ccc([O-])c(F)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460530609 516182492 /nfs/dbraw/zinc/18/24/92/516182492.db2.gz IMQHMCCJCMNYBB-UHFFFAOYSA-N -1 3 361.329 2.544 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCO[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000507466163 516217341 /nfs/dbraw/zinc/21/73/41/516217341.db2.gz BKTDYYZWWBAXAH-UKRRQHHQSA-N -1 3 356.444 2.777 20 5 FFBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1Oc2ccccc2[C@H]1C ZINC000531213726 516351651 /nfs/dbraw/zinc/35/16/51/516351651.db2.gz KVXJGMOTQVQWRI-PEBVRCNWSA-N -1 3 362.407 2.826 20 5 FFBDHM Cc1nc(C)c(-c2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)s1 ZINC000540117710 516445359 /nfs/dbraw/zinc/44/53/59/516445359.db2.gz PIAIQTSDVFIQBA-UHFFFAOYSA-N -1 3 364.412 2.777 20 5 FFBDHM COc1cc(C)ccc1C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000547745501 516536481 /nfs/dbraw/zinc/53/64/81/516536481.db2.gz RCBQKQDMWGXJKC-UHFFFAOYSA-N -1 3 352.350 2.976 20 5 FFBDHM CC(C)CSCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000535902210 516550574 /nfs/dbraw/zinc/55/05/74/516550574.db2.gz XEMPVVNOOYUFKK-UHFFFAOYSA-N -1 3 350.437 2.792 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000544104203 516584015 /nfs/dbraw/zinc/58/40/15/516584015.db2.gz DWTCHLJEAXTWFG-UHFFFAOYSA-N -1 3 362.363 2.828 20 5 FFBDHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000524021334 516628842 /nfs/dbraw/zinc/62/88/42/516628842.db2.gz VGVDMXDADOLJCG-XHDPSFHLSA-N -1 3 374.434 2.854 20 5 FFBDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000561559441 516651571 /nfs/dbraw/zinc/65/15/71/516651571.db2.gz KPHNFQIEPRKDBY-MGPLVRAMSA-N -1 3 366.370 2.676 20 5 FFBDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000524334618 516696475 /nfs/dbraw/zinc/69/64/75/516696475.db2.gz FAACPRBJSYIGQA-AWEZNQCLSA-N -1 3 364.423 2.903 20 5 FFBDHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000558434241 516740452 /nfs/dbraw/zinc/74/04/52/516740452.db2.gz IGCFNPGOSXJGKT-CQSZACIVSA-N -1 3 370.452 2.694 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544445348 516763651 /nfs/dbraw/zinc/76/36/51/516763651.db2.gz KUVIJVSXXKQBSW-QMMMGPOBSA-N -1 3 364.333 2.684 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000544445348 516763659 /nfs/dbraw/zinc/76/36/59/516763659.db2.gz KUVIJVSXXKQBSW-QMMMGPOBSA-N -1 3 364.333 2.684 20 5 FFBDHM CSC1C(=O)Nc2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cc21 ZINC000545089481 517048094 /nfs/dbraw/zinc/04/80/94/517048094.db2.gz WNOGKSUUZBTKBG-GFCCVEGCSA-N -1 3 357.351 2.996 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c1[N+](=O)[O-] ZINC000519668201 517113652 /nfs/dbraw/zinc/11/36/52/517113652.db2.gz RFVHZVYGSISHNR-ZDUSSCGKSA-N -1 3 362.407 2.666 20 5 FFBDHM O=C([O-])c1cnc(NC2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000520818571 517523761 /nfs/dbraw/zinc/52/37/61/517523761.db2.gz SUQJYNXFBPJXRQ-UHFFFAOYSA-N -1 3 370.409 2.807 20 5 FFBDHM CCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC000516343768 517669052 /nfs/dbraw/zinc/66/90/52/517669052.db2.gz TXXAYRSQFIGELK-UHFFFAOYSA-N -1 3 358.354 2.995 20 5 FFBDHM CC(C)(C(=O)Nc1cc(Br)ccc1[O-])n1cc([N+](=O)[O-])cn1 ZINC000533965422 517685229 /nfs/dbraw/zinc/68/52/29/517685229.db2.gz OLQKXEQLJSYHTP-UHFFFAOYSA-N -1 3 369.175 2.633 20 5 FFBDHM CC(C)c1[nH]nc(C(=O)[N-]c2nc3c(s2)CSCC3)c1[N+](=O)[O-] ZINC000557504387 518042728 /nfs/dbraw/zinc/04/27/28/518042728.db2.gz RYALLJFOTABCEM-UHFFFAOYSA-N -1 3 353.429 2.939 20 5 FFBDHM O=C(CSCc1cccnc1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000522358513 518087346 /nfs/dbraw/zinc/08/73/46/518087346.db2.gz YNYZRGXBDRIBLP-UHFFFAOYSA-N -1 3 369.406 2.674 20 5 FFBDHM COc1ccc(CN2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000517381674 518134510 /nfs/dbraw/zinc/13/45/10/518134510.db2.gz NTKSKHXNOJIOFM-IBGZPJMESA-N -1 3 356.378 2.832 20 5 FFBDHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000517410009 518141139 /nfs/dbraw/zinc/14/11/39/518141139.db2.gz GTFJYPYPBOWJOY-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM CNc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1[N+](=O)[O-] ZINC000531122014 518145372 /nfs/dbraw/zinc/14/53/72/518145372.db2.gz HVTAJOUMMXAGHT-UHFFFAOYSA-N -1 3 374.307 2.952 20 5 FFBDHM CNc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1[N+](=O)[O-] ZINC000531122014 518145378 /nfs/dbraw/zinc/14/53/78/518145378.db2.gz HVTAJOUMMXAGHT-UHFFFAOYSA-N -1 3 374.307 2.952 20 5 FFBDHM CNc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1[N+](=O)[O-] ZINC000531122014 518145382 /nfs/dbraw/zinc/14/53/82/518145382.db2.gz HVTAJOUMMXAGHT-UHFFFAOYSA-N -1 3 374.307 2.952 20 5 FFBDHM CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000575409716 518213722 /nfs/dbraw/zinc/21/37/22/518213722.db2.gz WXBXONQFBHWJEM-INIZCTEOSA-N -1 3 355.394 2.656 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1C ZINC000563912562 518226128 /nfs/dbraw/zinc/22/61/28/518226128.db2.gz VJMZCHIOKDVDJB-GFCCVEGCSA-N -1 3 352.334 2.831 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000567210662 518406660 /nfs/dbraw/zinc/40/66/60/518406660.db2.gz LPYRRGRAWKBXCQ-SNVBAGLBSA-N -1 3 368.349 3.000 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)nc21 ZINC000567210662 518406662 /nfs/dbraw/zinc/40/66/62/518406662.db2.gz LPYRRGRAWKBXCQ-SNVBAGLBSA-N -1 3 368.349 3.000 20 5 FFBDHM O=[N+]([O-])c1ccc(Cc2noc(CCCc3ccc([O-])c(F)c3)n2)nc1 ZINC000579525744 518722158 /nfs/dbraw/zinc/72/21/58/518722158.db2.gz NGTQSGYVHSDRCH-UHFFFAOYSA-N -1 3 358.329 2.984 20 5 FFBDHM CCc1ccc([C@H](CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000565037583 518754965 /nfs/dbraw/zinc/75/49/65/518754965.db2.gz BSWMPVMHSAZOTR-INIZCTEOSA-N -1 3 372.425 2.696 20 5 FFBDHM C[N-]S(=O)(=O)c1ccc(CNc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000590079626 519145762 /nfs/dbraw/zinc/14/57/62/519145762.db2.gz DBZDKJLBBGNSRJ-UHFFFAOYSA-N -1 3 361.832 2.830 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c1C ZINC000583775654 519428097 /nfs/dbraw/zinc/42/80/97/519428097.db2.gz XQZFRGYUHWZBFC-ZDUSSCGKSA-N -1 3 362.407 2.666 20 5 FFBDHM Cc1[n-][nH]c(=O)c1CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000572150972 519468790 /nfs/dbraw/zinc/46/87/90/519468790.db2.gz JRWVLLNHQQLYAL-OAHLLOKOSA-N -1 3 366.377 2.750 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)c(Cl)c1 ZINC000594472846 519982732 /nfs/dbraw/zinc/98/27/32/519982732.db2.gz GRJRXJXGOYQYQV-ZFWWWQNUSA-N -1 3 374.846 2.874 20 5 FFBDHM COc1ccc(F)cc1S(=O)(=O)[N-]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000592037737 520147263 /nfs/dbraw/zinc/14/72/63/520147263.db2.gz NFPIVYNQKMYQEU-UHFFFAOYSA-N -1 3 368.386 2.956 20 5 FFBDHM Cn1c([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1C1CC1 ZINC000597896725 520312467 /nfs/dbraw/zinc/31/24/67/520312467.db2.gz CVYDHEUDZSMVLR-UHFFFAOYSA-N -1 3 355.276 2.872 20 5 FFBDHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595362280 520431224 /nfs/dbraw/zinc/43/12/24/520431224.db2.gz XNVOAGSFXNZGBJ-GFCCVEGCSA-N -1 3 363.233 2.824 20 5 FFBDHM CCOCCOCc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000604104306 520449654 /nfs/dbraw/zinc/44/96/54/520449654.db2.gz VBCUICQJGPQKCV-UHFFFAOYSA-N -1 3 361.354 2.501 20 5 FFBDHM CN(CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000598195818 520487662 /nfs/dbraw/zinc/48/76/62/520487662.db2.gz TZVUBEBSPIMWHD-QGZVFWFLSA-N -1 3 369.421 2.689 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cc(=O)[nH]c2ccccc12 ZINC000610211735 520582019 /nfs/dbraw/zinc/58/20/19/520582019.db2.gz QCXDHFMNMFQNKL-UHFFFAOYSA-N -1 3 373.390 2.636 20 5 FFBDHM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@H]21 ZINC000610266069 520612911 /nfs/dbraw/zinc/61/29/11/520612911.db2.gz MHAFYNFPMQIRAK-ZLKJLUDKSA-N -1 3 374.846 2.730 20 5 FFBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000610269598 520616601 /nfs/dbraw/zinc/61/66/01/520616601.db2.gz UYYOZJIQAQYTEO-HUUCEWRRSA-N -1 3 354.428 2.611 20 5 FFBDHM COc1cccc([C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])N(C)C)c1 ZINC000592967125 520663181 /nfs/dbraw/zinc/66/31/81/520663181.db2.gz OTQGTBBXHVUAJT-SFHVURJKSA-N -1 3 373.409 2.945 20 5 FFBDHM CCOC(=O)c1ncc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000617870566 520765928 /nfs/dbraw/zinc/76/59/28/520765928.db2.gz YSHSBZHJTAIQHJ-VIFPVBQESA-N -1 3 364.383 2.614 20 5 FFBDHM CCOC(=O)c1nc(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000617870566 520765938 /nfs/dbraw/zinc/76/59/38/520765938.db2.gz YSHSBZHJTAIQHJ-VIFPVBQESA-N -1 3 364.383 2.614 20 5 FFBDHM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000598733885 520815816 /nfs/dbraw/zinc/81/58/16/520815816.db2.gz ARPCSERCJCBJQZ-JTQLQIEISA-N -1 3 370.818 2.695 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)c(Cl)c1 ZINC000618068364 520864392 /nfs/dbraw/zinc/86/43/92/520864392.db2.gz WMIVEQNUCOBRIS-ZDUSSCGKSA-N -1 3 373.862 2.543 20 5 FFBDHM COc1cc(OC)cc(N2CC[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596157359 520944004 /nfs/dbraw/zinc/94/40/04/520944004.db2.gz UDWHQZYUPWTKIP-GFCCVEGCSA-N -1 3 374.397 2.651 20 5 FFBDHM O=c1[n-]ccc(NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c1[N+](=O)[O-] ZINC000599138030 521049755 /nfs/dbraw/zinc/04/97/55/521049755.db2.gz DOGTURGCABRTNN-CYBMUJFWSA-N -1 3 364.789 2.666 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)nc1 ZINC000593548588 521066977 /nfs/dbraw/zinc/06/69/77/521066977.db2.gz PIOXVZYQQFIFAM-ZBFHGGJFSA-N -1 3 361.423 2.680 20 5 FFBDHM O=[N+]([O-])c1ccc2[nH]nc(NC([O-])=C(C[C@@H]3CCCO3)C(F)(F)F)c2c1 ZINC000593560660 521078986 /nfs/dbraw/zinc/07/89/86/521078986.db2.gz WBNFYRAERDSOML-GXSJLCMTSA-N -1 3 372.303 2.579 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)nc1 ZINC000593586979 521093006 /nfs/dbraw/zinc/09/30/06/521093006.db2.gz VSIGWKFEKDGSQD-LSDHHAIUSA-N -1 3 361.423 2.995 20 5 FFBDHM CCC([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)(C1CC1)C1CC1 ZINC000599397912 521197786 /nfs/dbraw/zinc/19/77/86/521197786.db2.gz VEOWWOVPZGSFBM-UHFFFAOYSA-N -1 3 354.428 2.851 20 5 FFBDHM CC[C@@H](C)n1nc([N-]c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])cc1C ZINC000537192086 562587615 /nfs/dbraw/zinc/58/76/15/562587615.db2.gz OSDHHNGHJZJCBG-SNVBAGLBSA-N -1 3 367.431 2.722 20 5 FFBDHM COc1cc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1C ZINC000737044703 599045043 /nfs/dbraw/zinc/04/50/43/599045043.db2.gz CUBSXESISORCML-UHFFFAOYSA-N -1 3 354.370 2.747 20 5 FFBDHM COc1cc(CCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])ccc1C ZINC000737044703 599045046 /nfs/dbraw/zinc/04/50/46/599045046.db2.gz CUBSXESISORCML-UHFFFAOYSA-N -1 3 354.370 2.747 20 5 FFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1c(C)nn(C)c1C ZINC000820926396 599085365 /nfs/dbraw/zinc/08/53/65/599085365.db2.gz SSTKUUAIKQNDBO-CYBMUJFWSA-N -1 3 356.390 2.688 20 5 FFBDHM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1c(C)nn(C)c1C ZINC000820926396 599085368 /nfs/dbraw/zinc/08/53/68/599085368.db2.gz SSTKUUAIKQNDBO-CYBMUJFWSA-N -1 3 356.390 2.688 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737368399 599183543 /nfs/dbraw/zinc/18/35/43/599183543.db2.gz INDCAUTVEJEVOH-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737368399 599183546 /nfs/dbraw/zinc/18/35/46/599183546.db2.gz INDCAUTVEJEVOH-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@H]1CCc2ccccc2C1 ZINC000738357566 599231971 /nfs/dbraw/zinc/23/19/71/599231971.db2.gz FNMCGEQWRILGLU-LBPRGKRZSA-N -1 3 350.382 2.992 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@H]1CCc2ccccc2C1 ZINC000738357566 599231972 /nfs/dbraw/zinc/23/19/72/599231972.db2.gz FNMCGEQWRILGLU-LBPRGKRZSA-N -1 3 350.382 2.992 20 5 FFBDHM Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822248321 599236793 /nfs/dbraw/zinc/23/67/93/599236793.db2.gz AQNVTQIJSRWJFH-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822248321 599236795 /nfs/dbraw/zinc/23/67/95/599236795.db2.gz AQNVTQIJSRWJFH-NSHDSACASA-N -1 3 367.369 2.966 20 5 FFBDHM CCN(Cc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821222437 607305484 /nfs/dbraw/zinc/30/54/84/607305484.db2.gz RVEKCDHHAPZTMC-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM CCN(Cc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821222437 607305485 /nfs/dbraw/zinc/30/54/85/607305485.db2.gz RVEKCDHHAPZTMC-UHFFFAOYSA-N -1 3 354.370 2.810 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737282635 598333165 /nfs/dbraw/zinc/33/31/65/598333165.db2.gz IJAYETBJMLPEMN-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737282635 598333167 /nfs/dbraw/zinc/33/31/67/598333167.db2.gz IJAYETBJMLPEMN-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1csc(CCCCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n1 ZINC000737452906 598422029 /nfs/dbraw/zinc/42/20/29/598422029.db2.gz QONNDCZVIFDIBQ-UHFFFAOYSA-N -1 3 359.415 2.975 20 5 FFBDHM Cc1csc(CCCCNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n1 ZINC000737452906 598422031 /nfs/dbraw/zinc/42/20/31/598422031.db2.gz QONNDCZVIFDIBQ-UHFFFAOYSA-N -1 3 359.415 2.975 20 5 FFBDHM CCn1c(C)cc2c1CCC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736720648 598500297 /nfs/dbraw/zinc/50/02/97/598500297.db2.gz VUXXSBWYKPXWTG-AWEZNQCLSA-N -1 3 368.401 2.789 20 5 FFBDHM CCn1c(C)cc2c1CCC[C@@H]2Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736720648 598500299 /nfs/dbraw/zinc/50/02/99/598500299.db2.gz VUXXSBWYKPXWTG-AWEZNQCLSA-N -1 3 368.401 2.789 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCCCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738374305 598521575 /nfs/dbraw/zinc/52/15/75/598521575.db2.gz NDKHJZCCQAHEHL-UHFFFAOYSA-N -1 3 353.386 2.995 20 5 FFBDHM O=[N+]([O-])c1cnc(NCCCCCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738374305 598521576 /nfs/dbraw/zinc/52/15/76/598521576.db2.gz NDKHJZCCQAHEHL-UHFFFAOYSA-N -1 3 353.386 2.995 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000738367968 598680362 /nfs/dbraw/zinc/68/03/62/598680362.db2.gz ADJDDJYBMNAENF-NSHDSACASA-N -1 3 371.788 2.817 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC[C@H](c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000738367968 598680363 /nfs/dbraw/zinc/68/03/63/598680363.db2.gz ADJDDJYBMNAENF-NSHDSACASA-N -1 3 371.788 2.817 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCc3ccccc3N2)c(-c2nnn[n-]2)c1 ZINC000738369570 598810539 /nfs/dbraw/zinc/81/05/39/598810539.db2.gz IYGFOIVVQGCVLW-LBPRGKRZSA-N -1 3 351.370 2.614 20 5 FFBDHM O=[N+]([O-])c1ccc(NC[C@@H]2CCc3ccccc3N2)c(-c2nn[n-]n2)c1 ZINC000738369570 598810540 /nfs/dbraw/zinc/81/05/40/598810540.db2.gz IYGFOIVVQGCVLW-LBPRGKRZSA-N -1 3 351.370 2.614 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Cc3ccc(F)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000738371946 599472871 /nfs/dbraw/zinc/47/28/71/599472871.db2.gz ZQCTVDVWKGJRRW-ZDUSSCGKSA-N -1 3 368.372 2.983 20 5 FFBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](Cc3ccc(F)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000738371946 599472873 /nfs/dbraw/zinc/47/28/73/599472873.db2.gz ZQCTVDVWKGJRRW-ZDUSSCGKSA-N -1 3 368.372 2.983 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738357937 599473379 /nfs/dbraw/zinc/47/33/79/599473379.db2.gz IZYXZSFNLRAMLS-CYBMUJFWSA-N -1 3 368.372 2.983 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000738357937 599473382 /nfs/dbraw/zinc/47/33/82/599473382.db2.gz IZYXZSFNLRAMLS-CYBMUJFWSA-N -1 3 368.372 2.983 20 5 FFBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738231625 599499615 /nfs/dbraw/zinc/49/96/15/599499615.db2.gz DRTLXZVSUSHTKN-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738231625 599499617 /nfs/dbraw/zinc/49/96/17/599499617.db2.gz DRTLXZVSUSHTKN-UHFFFAOYSA-N -1 3 359.729 2.785 20 5 FFBDHM Cc1cccc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822284714 599518661 /nfs/dbraw/zinc/51/86/61/599518661.db2.gz XIZXZJCUSLOZHF-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cccc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822284714 599518662 /nfs/dbraw/zinc/51/86/62/599518662.db2.gz XIZXZJCUSLOZHF-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000826245812 607431179 /nfs/dbraw/zinc/43/11/79/607431179.db2.gz IPSOYUYIAFJJOZ-NSHDSACASA-N -1 3 364.365 2.675 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000826245812 607431180 /nfs/dbraw/zinc/43/11/80/607431180.db2.gz IPSOYUYIAFJJOZ-NSHDSACASA-N -1 3 364.365 2.675 20 5 FFBDHM CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825830570 607441884 /nfs/dbraw/zinc/44/18/84/607441884.db2.gz WUPBWXMNNTXVAN-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825830570 607441886 /nfs/dbraw/zinc/44/18/86/607441886.db2.gz WUPBWXMNNTXVAN-UHFFFAOYSA-N -1 3 358.745 2.705 20 5 FFBDHM O=[N+]([O-])c1ccc(N(Cc2cccc(O)c2)CC2CC2)c(-c2nnn[n-]2)c1 ZINC000823639743 607495328 /nfs/dbraw/zinc/49/53/28/607495328.db2.gz GUABEIQBGVUYGO-UHFFFAOYSA-N -1 3 366.381 2.897 20 5 FFBDHM O=[N+]([O-])c1ccc(N(Cc2cccc(O)c2)CC2CC2)c(-c2nn[n-]n2)c1 ZINC000823639743 607495329 /nfs/dbraw/zinc/49/53/29/607495329.db2.gz GUABEIQBGVUYGO-UHFFFAOYSA-N -1 3 366.381 2.897 20 5 FFBDHM COc1ccc(-c2ccc(CN[C@H]3CCN(C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000739877716 602877456 /nfs/dbraw/zinc/87/74/56/602877456.db2.gz UJUZSPZAXQTYQR-NSHDSACASA-N -1 3 361.354 2.705 20 5 FFBDHM O=[N+]([O-])c1cc(N[C@@H](CCCO)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000826498373 607636312 /nfs/dbraw/zinc/63/63/12/607636312.db2.gz SAKZZUHFXUMMHI-HNNXBMFYSA-N -1 3 354.370 2.701 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826278114 607675612 /nfs/dbraw/zinc/67/56/12/607675612.db2.gz RITWSBXLPWFGHS-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000826278114 607675613 /nfs/dbraw/zinc/67/56/13/607675613.db2.gz RITWSBXLPWFGHS-UHFFFAOYSA-N -1 3 352.354 2.573 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000826245887 607702041 /nfs/dbraw/zinc/70/20/41/607702041.db2.gz KZXSIVXXTRQVDE-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000826245887 607702042 /nfs/dbraw/zinc/70/20/42/607702042.db2.gz KZXSIVXXTRQVDE-UHFFFAOYSA-N -1 3 366.381 2.748 20 5 FFBDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000834103166 605818953 /nfs/dbraw/zinc/81/89/53/605818953.db2.gz AAFNIYLQKORALE-GVDBMIGSSA-N -1 3 363.414 2.625 20 5 FFBDHM CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821609777 606315858 /nfs/dbraw/zinc/31/58/58/606315858.db2.gz LKTZKOPAHMKBSN-UHFFFAOYSA-N -1 3 365.353 2.548 20 5 FFBDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820555559 606324822 /nfs/dbraw/zinc/32/48/22/606324822.db2.gz MVHWMYKADLBFOL-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000820555559 606324823 /nfs/dbraw/zinc/32/48/23/606324823.db2.gz MVHWMYKADLBFOL-JTQLQIEISA-N -1 3 370.394 2.894 20 5 FFBDHM Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822248837 606661509 /nfs/dbraw/zinc/66/15/09/606661509.db2.gz PRPBNPOFSHCAFL-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM Cc1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822248837 606661510 /nfs/dbraw/zinc/66/15/10/606661510.db2.gz PRPBNPOFSHCAFL-UHFFFAOYSA-N -1 3 360.280 2.614 20 5 FFBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC000821362284 606880334 /nfs/dbraw/zinc/88/03/34/606880334.db2.gz ZHYXREDFBCBCPA-HUUCEWRRSA-N -1 3 358.402 2.559 20 5 FFBDHM CCO[C@@H]1C[C@@H](N(C)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC000821362284 606880336 /nfs/dbraw/zinc/88/03/36/606880336.db2.gz ZHYXREDFBCBCPA-HUUCEWRRSA-N -1 3 358.402 2.559 20 5 FFBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000826499096 607875976 /nfs/dbraw/zinc/87/59/76/607875976.db2.gz VTPAMKPWMIJJMH-CQSZACIVSA-N -1 3 361.745 2.541 20 5 FFBDHM O=[N+]([O-])c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826499096 607875977 /nfs/dbraw/zinc/87/59/77/607875977.db2.gz VTPAMKPWMIJJMH-CQSZACIVSA-N -1 3 361.745 2.541 20 5 FFBDHM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826470232 607951990 /nfs/dbraw/zinc/95/19/90/607951990.db2.gz IVTMBPVXRXTMOB-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470232 607951991 /nfs/dbraw/zinc/95/19/91/607951991.db2.gz IVTMBPVXRXTMOB-UHFFFAOYSA-N -1 3 370.756 2.631 20 5 FFBDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826186018 608155363 /nfs/dbraw/zinc/15/53/63/608155363.db2.gz APPLMABSAUGWPL-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000826186018 608155365 /nfs/dbraw/zinc/15/53/65/608155365.db2.gz APPLMABSAUGWPL-UHFFFAOYSA-N -1 3 374.744 2.689 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000826450462 608164294 /nfs/dbraw/zinc/16/42/94/608164294.db2.gz NPWFBHFAGFEARK-GDGBQDQQSA-N -1 3 362.777 2.803 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000826450462 608164295 /nfs/dbraw/zinc/16/42/95/608164295.db2.gz NPWFBHFAGFEARK-GDGBQDQQSA-N -1 3 362.777 2.803 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000826498994 608238572 /nfs/dbraw/zinc/23/85/72/608238572.db2.gz RFXBGPOKFFRMNN-CXAGYDPISA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2)[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000826498994 608238573 /nfs/dbraw/zinc/23/85/73/608238573.db2.gz RFXBGPOKFFRMNN-CXAGYDPISA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000826497474 608238795 /nfs/dbraw/zinc/23/87/95/608238795.db2.gz ITCNIUFMGRMPAF-WMLDXEAASA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000826497474 608238796 /nfs/dbraw/zinc/23/87/96/608238796.db2.gz ITCNIUFMGRMPAF-WMLDXEAASA-N -1 3 366.381 2.965 20 5 FFBDHM O=[N+]([O-])c1cc2cnn(Cc3cc(-c4nnn[n-]4)ccc3F)c2c(Cl)c1 ZINC000826497902 608469508 /nfs/dbraw/zinc/46/95/08/608469508.db2.gz YDMSNOQSSBSPIB-UHFFFAOYSA-N -1 3 373.735 2.965 20 5 FFBDHM O=[N+]([O-])c1cc2cnn(Cc3cc(-c4nn[n-]n4)ccc3F)c2c(Cl)c1 ZINC000826497902 608469509 /nfs/dbraw/zinc/46/95/09/608469509.db2.gz YDMSNOQSSBSPIB-UHFFFAOYSA-N -1 3 373.735 2.965 20 5 FFBDHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n1 ZINC000154309618 728801596 /nfs/dbraw/zinc/80/15/96/728801596.db2.gz GPJISFJUCWVQGN-SECBINFHSA-N -1 3 359.404 2.847 20 5 FFBDHM CCc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 ZINC000092992587 728472874 /nfs/dbraw/zinc/47/28/74/728472874.db2.gz QCJJQEUKOXEGOZ-UHFFFAOYSA-N -1 3 359.404 2.540 20 5 FFBDHM C[C@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC000858780624 730433606 /nfs/dbraw/zinc/43/36/06/730433606.db2.gz RJQZKVMYJNVHTJ-WDEREUQCSA-N -1 3 352.391 2.895 20 5 FFBDHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000749808801 735751041 /nfs/dbraw/zinc/75/10/41/735751041.db2.gz BZZRFYPPLUTNNW-LLVKDONJSA-N -1 3 364.379 2.884 20 5 FFBDHM Cn1ncc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1C(F)(F)F ZINC000917631393 737768990 /nfs/dbraw/zinc/76/89/90/737768990.db2.gz PNZDCDWSGKXHMF-UHFFFAOYSA-N -1 3 350.203 2.878 20 5 FFBDHM COc1cccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1F ZINC000777651791 738310419 /nfs/dbraw/zinc/31/04/19/738310419.db2.gz WLPJLPKRAZNFSE-UHFFFAOYSA-N -1 3 374.321 2.691 20 5 FFBDHM COC(=O)[C@@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000843683855 747875811 /nfs/dbraw/zinc/87/58/11/747875811.db2.gz VAZFJZWYVZHUSC-GFCCVEGCSA-N -1 3 358.341 2.781 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@]1(C)C[C@]1(F)Cl ZINC000845984278 748374058 /nfs/dbraw/zinc/37/40/58/748374058.db2.gz WIETUMBQWAVFCM-CHWSQXEVSA-N -1 3 350.799 2.886 20 5 FFBDHM CC(C)(C)OC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000853821964 750174116 /nfs/dbraw/zinc/17/41/16/750174116.db2.gz BJXKMVPDIPHQFM-UHFFFAOYSA-N -1 3 352.391 2.945 20 5 FFBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000056108816 845350605 /nfs/dbraw/zinc/35/06/05/845350605.db2.gz FDVHNIQUXMNFGU-SNVBAGLBSA-N -1 3 351.340 2.543 20 5 FFBDHM C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1Cc1ccccc1 ZINC000382042772 970976456 /nfs/dbraw/zinc/97/64/56/970976456.db2.gz UUXBQRSPWUMLCH-CJNGLKHVSA-N -1 3 355.394 2.693 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC=C(c3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500955 948417144 /nfs/dbraw/zinc/41/71/44/948417144.db2.gz STPLFUAWLQXSHA-UHFFFAOYSA-N -1 3 367.344 2.603 20 5 FFBDHM O=[N+]([O-])c1cnc(N2CC=C(c3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500955 948417151 /nfs/dbraw/zinc/41/71/51/948417151.db2.gz STPLFUAWLQXSHA-UHFFFAOYSA-N -1 3 367.344 2.603 20 5 FFBDHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001275482815 948496726 /nfs/dbraw/zinc/49/67/26/948496726.db2.gz BZJYTGKJSNWDQV-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001275482815 948496727 /nfs/dbraw/zinc/49/67/27/948496727.db2.gz BZJYTGKJSNWDQV-UHFFFAOYSA-N -1 3 362.708 2.820 20 5 FFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001576166696 949589589 /nfs/dbraw/zinc/58/95/89/949589589.db2.gz NRFJIYBGAPEQOH-BMIGLBTASA-N -1 3 364.381 2.921 20 5 FFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001576166696 949589604 /nfs/dbraw/zinc/58/96/04/949589604.db2.gz NRFJIYBGAPEQOH-BMIGLBTASA-N -1 3 364.381 2.921 20 5 FFBDHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001176859161 1013787931 /nfs/dbraw/zinc/78/79/31/1013787931.db2.gz YSBHKKKEQKFYSR-UHFFFAOYSA-N -1 3 358.329 2.571 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](O)c2cc(C)cc(C)c2)c([N+](=O)[O-])s1 ZINC001211639119 969388821 /nfs/dbraw/zinc/38/88/21/969388821.db2.gz VOCUPGMYZLTUNV-CYBMUJFWSA-N -1 3 370.452 2.593 20 5 FFBDHM NC(=O)c1ccc(COC(=O)c2cc3sccc3c([O-])c2)c([N+](=O)[O-])c1 ZINC000786140058 1001536345 /nfs/dbraw/zinc/53/63/45/1001536345.db2.gz NEJAGLCPCBRDDN-UHFFFAOYSA-N -1 3 372.358 2.971 20 5 FFBDHM COc1ccc([S@](C)(=O)=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001134003949 1006085949 /nfs/dbraw/zinc/08/59/49/1006085949.db2.gz AAEYTGKMBIILHT-SANMLTNESA-N -1 3 374.378 2.777 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c(F)cc1[N+](=O)[O-] ZINC001189011269 1006846439 /nfs/dbraw/zinc/84/64/39/1006846439.db2.gz UDIOTDPDIDEFMD-LBPRGKRZSA-N -1 3 360.407 2.670 20 5 FFBDHM CN(C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001135563651 1007039178 /nfs/dbraw/zinc/03/91/78/1007039178.db2.gz HBOHKCCHVDQECT-HNNXBMFYSA-N -1 3 363.801 2.987 20 5 FFBDHM Cc1ncccc1-c1noc(-c2n[n-]c([N+](=O)[O-])c2Br)n1 ZINC001212837853 1009473611 /nfs/dbraw/zinc/47/36/11/1009473611.db2.gz CDLCRRGBWAIUOT-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1ncccc1-c1noc(-c2[n-]nc([N+](=O)[O-])c2Br)n1 ZINC001212837853 1009473612 /nfs/dbraw/zinc/47/36/12/1009473612.db2.gz CDLCRRGBWAIUOT-UHFFFAOYSA-N -1 3 351.120 2.501 20 5 FFBDHM Cc1cc(C)c(-c2noc(-c3n[n-]c([N+](=O)[O-])c3Br)n2)cn1 ZINC001212838448 1009484019 /nfs/dbraw/zinc/48/40/19/1009484019.db2.gz RJZDAGKRSYKCEG-UHFFFAOYSA-N -1 3 365.147 2.809 20 5 FFBDHM Cc1cc(C)c(-c2noc(-c3[n-]nc([N+](=O)[O-])c3Br)n2)cn1 ZINC001212838448 1009484026 /nfs/dbraw/zinc/48/40/26/1009484026.db2.gz RJZDAGKRSYKCEG-UHFFFAOYSA-N -1 3 365.147 2.809 20 5 FFBDHM COc1c([O-])ccc(CN2CCC[C@@H]2C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001180886102 1009871022 /nfs/dbraw/zinc/87/10/22/1009871022.db2.gz WQRKHOXIQUZXMS-GFCCVEGCSA-N -1 3 352.387 2.615 20 5 FFBDHM Cc1c([O-])ccc2c(CN3CCc4ncc([N+](=O)[O-])cc4C3)cc(=O)oc12 ZINC000754213633 1023440527 /nfs/dbraw/zinc/44/05/27/1023440527.db2.gz DPYRRHMFSOSCCI-UHFFFAOYSA-N -1 3 367.361 2.669 20 5 FFBDHM CCN1CCN(c2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC000780329521 1023575442 /nfs/dbraw/zinc/57/54/42/1023575442.db2.gz OOQWFDILMADXET-UHFFFAOYSA-N -1 3 370.409 2.695 20 5 FFBDHM O=c1[n-]cc([N+](=O)[O-])cc1-c1nc(-c2ccncc2Br)no1 ZINC001212936910 1027441277 /nfs/dbraw/zinc/44/12/77/1027441277.db2.gz DBCKHCFZKRDBIQ-UHFFFAOYSA-N -1 3 364.115 2.570 20 5 FFBDHM Cc1cc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163642918 1029004434 /nfs/dbraw/zinc/00/44/34/1029004434.db2.gz LVGLIPKYHKPJKE-ZDUSSCGKSA-N -1 3 366.381 2.783 20 5 FFBDHM O=[N+]([O-])c1ccccc1N1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225663282 1034357159 /nfs/dbraw/zinc/35/71/59/1034357159.db2.gz BTNWRZMOWUMYGH-UHFFFAOYSA-N -1 3 360.326 2.651 20 5 FFBDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](Oc3nccc([O-])c3[N+](=O)[O-])[C@@H]2C1 ZINC001225664477 1034357771 /nfs/dbraw/zinc/35/77/71/1034357771.db2.gz OXPZSTKUSPRIIJ-DMDPSCGWSA-N -1 3 365.386 2.720 20 5 FFBDHM C[C@H]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001225665434 1034358950 /nfs/dbraw/zinc/35/89/50/1034358950.db2.gz ZFUGCLORXPJPGD-WDEREUQCSA-N -1 3 353.375 2.862 20 5 FFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC23CN(C(=O)OC(C)(C)C)C3)c1[N+](=O)[O-] ZINC001228686599 1036258046 /nfs/dbraw/zinc/25/80/46/1036258046.db2.gz OZPNZCFGQKTFAD-GFCCVEGCSA-N -1 3 365.386 2.782 20 5 FFBDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001228714014 1036281757 /nfs/dbraw/zinc/28/17/57/1036281757.db2.gz OYXZRSXPTXHMAP-SNVBAGLBSA-N -1 3 363.395 2.919 20 5 FFBDHM CCOC(=O)[C@H]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)CO1 ZINC001233497810 1036661368 /nfs/dbraw/zinc/66/13/68/1036661368.db2.gz IFZFGDJXPYPALK-AMIZOPFISA-N -1 3 369.761 2.614 20 5 FFBDHM COC(=O)c1nc[n-]c(=O)c1O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001233759912 1036751028 /nfs/dbraw/zinc/75/10/28/1036751028.db2.gz RYHUMNQSIFSFAZ-LLVKDONJSA-N -1 3 373.243 2.559 20 5 FFBDHM CC1(C)Cc2nc([N-]C(=O)c3c(F)cccc3[N+](=O)[O-])sc2C(=O)N1 ZINC001537804527 1070263576 /nfs/dbraw/zinc/26/35/76/1070263576.db2.gz RNZMWRPRCMOXMQ-UHFFFAOYSA-N -1 3 364.358 2.507 20 5 FFBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCCC(F)F)c1 ZINC001213655417 1040763259 /nfs/dbraw/zinc/76/32/59/1040763259.db2.gz DCHYNPCRTGPJQS-UHFFFAOYSA-N -1 3 373.175 2.681 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCc2cccnc21 ZINC001309773306 1043517858 /nfs/dbraw/zinc/51/78/58/1043517858.db2.gz NFJQLAIJXYTJBF-LLVKDONJSA-N -1 3 367.814 2.652 20 5 FFBDHM Cc1ccc(CN2CCCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC001327206662 1047234966 /nfs/dbraw/zinc/23/49/66/1047234966.db2.gz RUEOKCYBHGIANH-UHFFFAOYSA-N -1 3 370.409 2.709 20 5 FFBDHM Cc1ccc(CN2CCCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC001328606694 1048378008 /nfs/dbraw/zinc/37/80/08/1048378008.db2.gz OQXYTNWPPAZMRD-UHFFFAOYSA-N -1 3 370.409 2.709 20 5 FFBDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cnn1-c1cccc(C)c1 ZINC001307149321 1049355794 /nfs/dbraw/zinc/35/57/94/1049355794.db2.gz GGUGASUDHOKABU-UHFFFAOYSA-N -1 3 352.354 2.635 20 5 FFBDHM O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCC(c2nnn[n-]2)CC1 ZINC001307189958 1052264311 /nfs/dbraw/zinc/26/43/11/1052264311.db2.gz RHFHRHYBXBKJJN-UHFFFAOYSA-N -1 3 359.777 2.694 20 5 FFBDHM O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCC(c2nn[n-]n2)CC1 ZINC001307189958 1052264323 /nfs/dbraw/zinc/26/43/23/1052264323.db2.gz RHFHRHYBXBKJJN-UHFFFAOYSA-N -1 3 359.777 2.694 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)c([N+](=O)[O-])s1 ZINC001309233895 1052579924 /nfs/dbraw/zinc/57/99/24/1052579924.db2.gz MIKJFHOZSSXCRK-SECBINFHSA-N -1 3 374.415 2.850 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1cccc([N+](=O)[O-])c1 ZINC001309317526 1052597487 /nfs/dbraw/zinc/59/74/87/1052597487.db2.gz AEPMEPLAJMUXNM-LLVKDONJSA-N -1 3 357.338 2.698 20 5 FFBDHM Cn1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c(C(F)(F)F)n1 ZINC001349536287 1055324776 /nfs/dbraw/zinc/32/47/76/1055324776.db2.gz JDRWXFPLOFPOOF-UHFFFAOYSA-N -1 3 350.203 2.878 20 5 FFBDHM O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC001457892964 1060465502 /nfs/dbraw/zinc/46/55/02/1060465502.db2.gz HIQXMUYXHCTGDR-UHFFFAOYSA-N -1 3 351.322 2.768 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c(F)c1F ZINC001475256208 1061021665 /nfs/dbraw/zinc/02/16/65/1061021665.db2.gz NCEQUGNDYLBIAY-UHFFFAOYSA-N -1 3 356.350 2.702 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)c([N+](=O)[O-])s1 ZINC001475539804 1061131361 /nfs/dbraw/zinc/13/13/61/1061131361.db2.gz LMJRCIYQPNYMFD-AAEUAGOBSA-N -1 3 360.457 2.591 20 5 FFBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc2c1OCC2 ZINC001475717133 1061231042 /nfs/dbraw/zinc/23/10/42/1061231042.db2.gz XMPIUYDISGGJQQ-UHFFFAOYSA-N -1 3 368.798 2.662 20 5 FFBDHM COc1c(C(=O)[N-]c2nc(C)n(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC001522561620 1062211746 /nfs/dbraw/zinc/21/17/46/1062211746.db2.gz CROINBVNGXBFDR-UHFFFAOYSA-N -1 3 353.338 2.745 20 5 FFBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001464623660 1062723397 /nfs/dbraw/zinc/72/33/97/1062723397.db2.gz QFIBXGINVJFOPZ-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001464623660 1062723410 /nfs/dbraw/zinc/72/34/10/1062723410.db2.gz QFIBXGINVJFOPZ-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2F)C2CC2)nc1 ZINC001475033749 1065681323 /nfs/dbraw/zinc/68/13/23/1065681323.db2.gz VQHLIDAEHSWNHD-HNNXBMFYSA-N -1 3 369.349 2.698 20 5 FFBDHM CCOC1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC1 ZINC001578319900 1078463064 /nfs/dbraw/zinc/46/30/64/1078463064.db2.gz ZVXWPSDEXDSAPN-UHFFFAOYSA-N -1 3 350.354 2.675 20 5 FFBDHM CCOC1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC001578319900 1078463065 /nfs/dbraw/zinc/46/30/65/1078463065.db2.gz ZVXWPSDEXDSAPN-UHFFFAOYSA-N -1 3 350.354 2.675 20 5 FFBDHM CSc1ccccc1CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001580236305 1078771585 /nfs/dbraw/zinc/77/15/85/1078771585.db2.gz BIMZQTKRVUJUKA-UHFFFAOYSA-N -1 3 371.426 2.715 20 5 FFBDHM CSc1ccccc1CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001580236305 1078771593 /nfs/dbraw/zinc/77/15/93/1078771593.db2.gz BIMZQTKRVUJUKA-UHFFFAOYSA-N -1 3 371.426 2.715 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001580608951 1078834084 /nfs/dbraw/zinc/83/40/84/1078834084.db2.gz OAEXYFBOYQZTDS-UHFFFAOYSA-N -1 3 366.381 2.664 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001580608951 1078834091 /nfs/dbraw/zinc/83/40/91/1078834091.db2.gz OAEXYFBOYQZTDS-UHFFFAOYSA-N -1 3 366.381 2.664 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nnn[n-]2)cc1NCC[C@@H]1OCCc2ccccc21 ZINC001582804080 1079110343 /nfs/dbraw/zinc/11/03/43/1079110343.db2.gz HZYLLRITEZWMEU-KRWDZBQOSA-N -1 3 366.381 2.891 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nn[n-]n2)cc1NCC[C@@H]1OCCc2ccccc21 ZINC001582804080 1079110352 /nfs/dbraw/zinc/11/03/52/1079110352.db2.gz HZYLLRITEZWMEU-KRWDZBQOSA-N -1 3 366.381 2.891 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1Oc1cccc(-c2nnco2)c1 ZINC001582803578 1079110363 /nfs/dbraw/zinc/11/03/63/1079110363.db2.gz MONWXRKNNSPQCO-UHFFFAOYSA-N -1 3 369.272 2.756 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[C@@H]4C[C@@H]43)cc(-c3nnn[n-]3)c2c1 ZINC001582804178 1079110419 /nfs/dbraw/zinc/11/04/19/1079110419.db2.gz LZPVGLOVFAPOQE-PUYPPJJSSA-N -1 3 351.370 2.924 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCC[C@@H]4C[C@@H]43)cc(-c3nn[n-]n3)c2c1 ZINC001582804178 1079110422 /nfs/dbraw/zinc/11/04/22/1079110422.db2.gz LZPVGLOVFAPOQE-PUYPPJJSSA-N -1 3 351.370 2.924 20 5 FFBDHM O=C(NC[C@H]1CCN1C1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001557850691 1075900270 /nfs/dbraw/zinc/90/02/70/1075900270.db2.gz VJEATLZTCCDUEH-GFCCVEGCSA-N -1 3 353.806 2.701 20 5 FFBDHM C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001559223307 1076136491 /nfs/dbraw/zinc/13/64/91/1076136491.db2.gz GCNGTUODAOKGEL-RKDXNWHRSA-N -1 3 365.777 2.819 20 5 FFBDHM CN1c2cc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])ccc2OCC(C)(C)C1=O ZINC001559286989 1076146209 /nfs/dbraw/zinc/14/62/09/1076146209.db2.gz YPFPBCPPRMDNCX-UHFFFAOYSA-N -1 3 358.354 2.820 20 5 FFBDHM COc1ccccc1NC(=O)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001559295508 1076147399 /nfs/dbraw/zinc/14/73/99/1076147399.db2.gz YTZDPYQLEHPDQO-LBPRGKRZSA-N -1 3 372.381 2.559 20 5 FFBDHM COc1c([O-])ccc(CNc2ccc(-n3nncc3C)cc2)c1[N+](=O)[O-] ZINC001560903657 1076308375 /nfs/dbraw/zinc/30/83/75/1076308375.db2.gz ZWRVLSIXDRCDHW-UHFFFAOYSA-N -1 3 355.354 2.810 20 5 FFBDHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@]2(C)c2ccccc2)c([N+](=O)[O-])s1 ZINC001561315593 1076361026 /nfs/dbraw/zinc/36/10/26/1076361026.db2.gz DHXRQNBITSSGBO-HIFRSBDPSA-N -1 3 352.437 2.973 20 5 FFBDHM CC(=O)Nc1ccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001588878981 1080229987 /nfs/dbraw/zinc/22/99/87/1080229987.db2.gz QWJNUSRMNQNPNO-UHFFFAOYSA-N -1 3 358.289 2.665 20 5 FFBDHM CC(=O)Nc1ccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001588878981 1080229990 /nfs/dbraw/zinc/22/99/90/1080229990.db2.gz QWJNUSRMNQNPNO-UHFFFAOYSA-N -1 3 358.289 2.665 20 5 FFBDHM CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)c(C)c1 ZINC001588917601 1080263499 /nfs/dbraw/zinc/26/34/99/1080263499.db2.gz UXMFEQXACMXOLZ-UHFFFAOYSA-N -1 3 354.326 2.660 20 5 FFBDHM CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)c(C)c1 ZINC001588917601 1080263508 /nfs/dbraw/zinc/26/35/08/1080263508.db2.gz UXMFEQXACMXOLZ-UHFFFAOYSA-N -1 3 354.326 2.660 20 5 FFBDHM CC(C)n1ncc2c1C[C@H](Nc1c(-c3nnn[n-]3)cccc1[N+](=O)[O-])CC2 ZINC001589784607 1080738024 /nfs/dbraw/zinc/73/80/24/1080738024.db2.gz IPTPJLXIXLNNIG-GFCCVEGCSA-N -1 3 368.401 2.522 20 5 FFBDHM CC(C)n1ncc2c1C[C@H](Nc1c(-c3nn[n-]n3)cccc1[N+](=O)[O-])CC2 ZINC001589784607 1080738031 /nfs/dbraw/zinc/73/80/31/1080738031.db2.gz IPTPJLXIXLNNIG-GFCCVEGCSA-N -1 3 368.401 2.522 20 5 FFBDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001589889512 1080835342 /nfs/dbraw/zinc/83/53/42/1080835342.db2.gz JPQXRMJVHPMBRV-LBPRGKRZSA-N -1 3 366.381 2.617 20 5 FFBDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001589889512 1080835346 /nfs/dbraw/zinc/83/53/46/1080835346.db2.gz JPQXRMJVHPMBRV-LBPRGKRZSA-N -1 3 366.381 2.617 20 5 FFBDHM C[C@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589937226 1080881757 /nfs/dbraw/zinc/88/17/57/1080881757.db2.gz NSDBPZXUBQATSP-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001589937226 1080881762 /nfs/dbraw/zinc/88/17/62/1080881762.db2.gz NSDBPZXUBQATSP-VIFPVBQESA-N -1 3 371.332 2.797 20 5 FFBDHM C[C@@](O)(CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001589991534 1080926301 /nfs/dbraw/zinc/92/63/01/1080926301.db2.gz RVNWZQZMXYSBLE-MRXNPFEDSA-N -1 3 374.788 2.748 20 5 FFBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1C(F)(F)F ZINC001590108984 1081018362 /nfs/dbraw/zinc/01/83/62/1081018362.db2.gz LIXHJADMYGMYQN-JTQLQIEISA-N -1 3 371.323 2.585 20 5 FFBDHM CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@@H]1C(F)(F)F ZINC001590108984 1081018368 /nfs/dbraw/zinc/01/83/68/1081018368.db2.gz LIXHJADMYGMYQN-JTQLQIEISA-N -1 3 371.323 2.585 20 5 FFBDHM C[C@@]1(c2ccccc2)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001590153183 1081053755 /nfs/dbraw/zinc/05/37/55/1081053755.db2.gz IZSRQHWTSYKCLM-SFHVURJKSA-N -1 3 366.381 2.527 20 5 FFBDHM C[C@@]1(c2ccccc2)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001590153183 1081053763 /nfs/dbraw/zinc/05/37/63/1081053763.db2.gz IZSRQHWTSYKCLM-SFHVURJKSA-N -1 3 366.381 2.527 20 5 FFBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000017333117 249324587 /nfs/dbraw/zinc/32/45/87/249324587.db2.gz SIWBKPVKXHAMFP-UHFFFAOYSA-N -1 3 361.832 2.700 20 5 FFBDHM Cc1cc([N+](=O)[O-])ccc1CN[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] ZINC000277435116 256198025 /nfs/dbraw/zinc/19/80/25/256198025.db2.gz UHDYLPAOFRKQQO-KRWDZBQOSA-N -1 3 372.377 2.580 20 5 FFBDHM CCCN1C(=O)CCc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC000278001581 256265459 /nfs/dbraw/zinc/26/54/59/256265459.db2.gz HNOWWVQYFGXQRI-UHFFFAOYSA-N -1 3 370.365 2.637 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cnc(Cl)s2)c1C ZINC000289831230 257301849 /nfs/dbraw/zinc/30/18/49/257301849.db2.gz LHVWATDKHCQKAF-UHFFFAOYSA-N -1 3 361.832 2.800 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000331126449 258177966 /nfs/dbraw/zinc/17/79/66/258177966.db2.gz OSLQTCDMFGBNKP-CQSZACIVSA-N -1 3 356.444 2.695 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000032407602 506249927 /nfs/dbraw/zinc/24/99/27/506249927.db2.gz ABLKOSVXQXKORR-UHFFFAOYSA-N -1 3 372.443 2.621 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(F)c(C)c1 ZINC000032410576 506250216 /nfs/dbraw/zinc/25/02/16/506250216.db2.gz ZWUZAJRNVUTQDO-UHFFFAOYSA-N -1 3 354.359 2.529 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)Cc1ccccc1C ZINC000055265778 506713494 /nfs/dbraw/zinc/71/34/94/506713494.db2.gz BJVYACGYEVCKJC-ZDUSSCGKSA-N -1 3 364.423 2.821 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000067433868 506878538 /nfs/dbraw/zinc/87/85/38/506878538.db2.gz GBYQXEZSHUJUFH-KBPBESRZSA-N -1 3 366.370 2.577 20 5 FFBDHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000055986356 506904462 /nfs/dbraw/zinc/90/44/62/506904462.db2.gz PJOSBFCDMKMBGL-SECBINFHSA-N -1 3 372.349 2.921 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-]CCCOC2CCCCC2)c([N+](=O)[O-])c1 ZINC000023403240 507351747 /nfs/dbraw/zinc/35/17/47/507351747.db2.gz DTNXAFHTRGQXMT-UHFFFAOYSA-N -1 3 372.443 2.621 20 5 FFBDHM CC(=O)N1CCc2cc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc21 ZINC000028064172 507706670 /nfs/dbraw/zinc/70/66/70/507706670.db2.gz WEOFOBHQVFRRAH-UHFFFAOYSA-N -1 3 365.349 2.632 20 5 FFBDHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000028331373 507720207 /nfs/dbraw/zinc/72/02/07/507720207.db2.gz IGOSXZIGHKOTGR-UHFFFAOYSA-N -1 3 350.396 2.610 20 5 FFBDHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064245281 507787720 /nfs/dbraw/zinc/78/77/20/507787720.db2.gz DLRMRXGHBWJNGN-UHFFFAOYSA-N -1 3 356.425 2.922 20 5 FFBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000030007897 507799765 /nfs/dbraw/zinc/79/97/65/507799765.db2.gz DZLYVWCSOGCMQO-UHFFFAOYSA-N -1 3 370.814 2.914 20 5 FFBDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000080282337 508061692 /nfs/dbraw/zinc/06/16/92/508061692.db2.gz YPBMKOCAPACPLX-UHFFFAOYSA-N -1 3 355.441 2.882 20 5 FFBDHM CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075411220 508106148 /nfs/dbraw/zinc/10/61/48/508106148.db2.gz QENFLJPXCGKQLN-INIZCTEOSA-N -1 3 369.421 2.895 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000101569674 508247924 /nfs/dbraw/zinc/24/79/24/508247924.db2.gz HKUISGFJGOKYAV-UHFFFAOYSA-N -1 3 350.396 2.651 20 5 FFBDHM O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000367231711 512398100 /nfs/dbraw/zinc/39/81/00/512398100.db2.gz QNKPMMDJFVJPNM-HNNXBMFYSA-N -1 3 355.394 2.695 20 5 FFBDHM COc1cccc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000127651249 508481844 /nfs/dbraw/zinc/48/18/44/508481844.db2.gz UBBGPXLCARWCIM-UHFFFAOYSA-N -1 3 366.370 2.710 20 5 FFBDHM COc1cccc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)c1 ZINC000127703504 508488574 /nfs/dbraw/zinc/48/85/74/508488574.db2.gz ZSVPISOWGNCNMX-UHFFFAOYSA-N -1 3 354.409 2.633 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000127860264 508511839 /nfs/dbraw/zinc/51/18/39/508511839.db2.gz GXKUPGPEXWABBE-ZFWWWQNUSA-N -1 3 356.444 2.513 20 5 FFBDHM O=C(CCSc1n[n-]c(-c2ccccn2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000117112623 508580298 /nfs/dbraw/zinc/58/02/98/508580298.db2.gz FVRBURRWFJEHEG-UHFFFAOYSA-N -1 3 370.394 2.896 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000122895129 508603192 /nfs/dbraw/zinc/60/31/92/508603192.db2.gz LUUWNJMVCORIIZ-UHFFFAOYSA-N -1 3 353.425 2.716 20 5 FFBDHM COc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C ZINC000123285421 508664004 /nfs/dbraw/zinc/66/40/04/508664004.db2.gz BDNXQZQYAMUERC-UHFFFAOYSA-N -1 3 356.425 2.760 20 5 FFBDHM CCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000123772623 508736920 /nfs/dbraw/zinc/73/69/20/508736920.db2.gz IHBLRXBUVDARSV-UHFFFAOYSA-N -1 3 374.415 2.981 20 5 FFBDHM CCNC(=O)c1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000154320256 508759652 /nfs/dbraw/zinc/75/96/52/508759652.db2.gz UVELFCBHTKZAOU-UHFFFAOYSA-N -1 3 367.365 2.782 20 5 FFBDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000159401724 508836638 /nfs/dbraw/zinc/83/66/38/508836638.db2.gz ALLHTTOXZLHDSI-UHFFFAOYSA-N -1 3 360.407 2.748 20 5 FFBDHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000125221403 508950323 /nfs/dbraw/zinc/95/03/23/508950323.db2.gz PGBWMICHXCNOLD-CYBMUJFWSA-N -1 3 370.452 2.593 20 5 FFBDHM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2nc3ccccc3s2)c1 ZINC000151313427 508997672 /nfs/dbraw/zinc/99/76/72/508997672.db2.gz AMSGDNHKUOCDSO-UHFFFAOYSA-N -1 3 363.420 2.824 20 5 FFBDHM O=c1[n-]nc(SCc2cc(Cl)ccc2[N+](=O)[O-])n1C[C@@H]1CCCO1 ZINC000266831301 509216318 /nfs/dbraw/zinc/21/63/18/509216318.db2.gz HPFAFRPTPBOGKI-NSHDSACASA-N -1 3 370.818 2.604 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccco2)c(C(F)(F)F)c1 ZINC000162660072 509276267 /nfs/dbraw/zinc/27/62/67/509276267.db2.gz USWRBPKGVIKRJX-UHFFFAOYSA-N -1 3 350.274 2.685 20 5 FFBDHM Cc1ccnc(-c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)n1 ZINC000185669465 509296816 /nfs/dbraw/zinc/29/68/16/509296816.db2.gz DXYUWPUAOYHINA-UHFFFAOYSA-N -1 3 351.322 2.713 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000162818930 509307616 /nfs/dbraw/zinc/30/76/16/509307616.db2.gz CAILFFXRYWQODQ-RISCZKNCSA-N -1 3 374.846 2.793 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cscn2)c(C(F)(F)F)c1 ZINC000163169642 509348302 /nfs/dbraw/zinc/34/83/02/509348302.db2.gz QHGATUFATQVTQO-UHFFFAOYSA-N -1 3 367.330 2.549 20 5 FFBDHM CSc1cccc(C(=O)[N-]c2cc3c(=O)[nH]cnc3cc2F)c1[N+](=O)[O-] ZINC000186026016 509487576 /nfs/dbraw/zinc/48/75/76/509487576.db2.gz PYTMBPDHSSDFQB-UHFFFAOYSA-N -1 3 374.353 2.945 20 5 FFBDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164415166 509500316 /nfs/dbraw/zinc/50/03/16/509500316.db2.gz GIXKJWNKBINEDF-UHFFFAOYSA-N -1 3 361.373 2.644 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c1C ZINC000186172603 509559178 /nfs/dbraw/zinc/55/91/78/509559178.db2.gz BAFNUOFFQJVVAP-AWEZNQCLSA-N -1 3 356.444 2.839 20 5 FFBDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000179874573 509656005 /nfs/dbraw/zinc/65/60/05/509656005.db2.gz XVWMNSYLYXLCIZ-SWLSCSKDSA-N -1 3 374.434 2.996 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1ccccc1 ZINC000170735564 509747060 /nfs/dbraw/zinc/74/70/60/509747060.db2.gz OCUILJGEACHUHT-MRXNPFEDSA-N -1 3 364.423 2.878 20 5 FFBDHM Cc1cccn2cc(C[N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])nc12 ZINC000190101845 509938352 /nfs/dbraw/zinc/93/83/52/509938352.db2.gz KICBZHFVDQVPJY-UHFFFAOYSA-N -1 3 374.422 2.646 20 5 FFBDHM CCO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000193543500 509957269 /nfs/dbraw/zinc/95/72/69/509957269.db2.gz RYRWPMVRGYEXFA-QGZVFWFLSA-N -1 3 364.423 2.792 20 5 FFBDHM O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3cccc([O-])c3)co2)cc1 ZINC000183991922 510076148 /nfs/dbraw/zinc/07/61/48/510076148.db2.gz PECHJJWXSVYEMB-UHFFFAOYSA-N -1 3 360.347 2.929 20 5 FFBDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CCO)c2ccco2)cc1[N+](=O)[O-] ZINC000184275473 510233739 /nfs/dbraw/zinc/23/37/39/510233739.db2.gz KJQPAQLITICRMS-NSHDSACASA-N -1 3 374.802 2.552 20 5 FFBDHM CN1CCOc2ccc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000174701807 510260841 /nfs/dbraw/zinc/26/08/41/510260841.db2.gz OBXHIKWPTWBYHT-UHFFFAOYSA-N -1 3 353.338 2.552 20 5 FFBDHM COc1cc(CNCc2ccnc(OC(F)F)c2)c([N+](=O)[O-])cc1[O-] ZINC000284127875 511615020 /nfs/dbraw/zinc/61/50/20/511615020.db2.gz UILHUBVGDOVKIP-UHFFFAOYSA-N -1 3 355.297 2.595 20 5 FFBDHM CSCCON=C([O-])Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000281183888 511751103 /nfs/dbraw/zinc/75/11/03/511751103.db2.gz YFQAYWQWAPXPRI-UHFFFAOYSA-N -1 3 350.194 2.773 20 5 FFBDHM CSCCO[N-]C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000281183888 511751109 /nfs/dbraw/zinc/75/11/09/511751109.db2.gz YFQAYWQWAPXPRI-UHFFFAOYSA-N -1 3 350.194 2.773 20 5 FFBDHM Cc1cc(N2CCc3nc[n-]c(=O)c3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000293006161 511803882 /nfs/dbraw/zinc/80/38/82/511803882.db2.gz HSSMWKSSTUDTFQ-UHFFFAOYSA-N -1 3 354.288 2.980 20 5 FFBDHM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000327710692 511880951 /nfs/dbraw/zinc/88/09/51/511880951.db2.gz BVZHIUNHMVDEGN-UHFFFAOYSA-N -1 3 370.427 2.630 20 5 FFBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C1CCCC1 ZINC000382823478 512879093 /nfs/dbraw/zinc/87/90/93/512879093.db2.gz RFPCXNJLJFJRLI-CQSZACIVSA-N -1 3 370.427 2.629 20 5 FFBDHM O=C(CCCC1CCOCC1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000409604959 513124884 /nfs/dbraw/zinc/12/48/84/513124884.db2.gz CSYNMQGNVMNYGW-UHFFFAOYSA-N -1 3 358.398 2.942 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000446035904 513168672 /nfs/dbraw/zinc/16/86/72/513168672.db2.gz GOSIZCBQGACXPO-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000446035904 513168679 /nfs/dbraw/zinc/16/86/79/513168679.db2.gz GOSIZCBQGACXPO-UHFFFAOYSA-N -1 3 372.772 2.667 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1nccn1-c1ccccc1 ZINC000429335900 513343478 /nfs/dbraw/zinc/34/34/78/513343478.db2.gz PRDYHQHPXKDFOO-UHFFFAOYSA-N -1 3 372.406 2.567 20 5 FFBDHM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425000799 513361075 /nfs/dbraw/zinc/36/10/75/513361075.db2.gz BZXWBEXKYHXWBQ-HNAYVOBHSA-N -1 3 367.405 2.647 20 5 FFBDHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)OC ZINC000446931094 513362997 /nfs/dbraw/zinc/36/29/97/513362997.db2.gz ZARHODOTSZBUED-AWEZNQCLSA-N -1 3 374.459 2.723 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c2ncccc12 ZINC000429884041 513489334 /nfs/dbraw/zinc/48/93/34/513489334.db2.gz WTXBJEGHFHPTFK-SNVBAGLBSA-N -1 3 371.365 2.857 20 5 FFBDHM COc1cc(CNCc2ccncc2OCC(F)F)c([N+](=O)[O-])cc1[O-] ZINC000441375368 513555668 /nfs/dbraw/zinc/55/56/68/513555668.db2.gz IAVQSOFHXJQZOY-UHFFFAOYSA-N -1 3 369.324 2.638 20 5 FFBDHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000416409517 513756772 /nfs/dbraw/zinc/75/67/72/513756772.db2.gz BOBNQYRXHUGDAI-UHFFFAOYSA-N -1 3 355.441 2.709 20 5 FFBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000416419963 513763472 /nfs/dbraw/zinc/76/34/72/513763472.db2.gz UYWRQWNEZDSGTQ-VIFPVBQESA-N -1 3 370.374 2.788 20 5 FFBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000436199757 513792099 /nfs/dbraw/zinc/79/20/99/513792099.db2.gz QMTLMPJFVBIOHN-CQSZACIVSA-N -1 3 368.386 2.708 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)c1[N+](=O)[O-] ZINC000416630068 513876169 /nfs/dbraw/zinc/87/61/69/513876169.db2.gz IPRMUPPLRWGONJ-UHFFFAOYSA-N -1 3 363.439 2.863 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@](C)(O)CCC(C)C)c1C ZINC000443258153 513912331 /nfs/dbraw/zinc/91/23/31/513912331.db2.gz TWPPXACHBKPVMJ-INIZCTEOSA-N -1 3 358.460 2.677 20 5 FFBDHM COc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1[N+](=O)[O-] ZINC000431642840 513954640 /nfs/dbraw/zinc/95/46/40/513954640.db2.gz IMQVJVYSTZKJLS-AWEZNQCLSA-N -1 3 372.349 2.888 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)cc1C ZINC000451798767 513987239 /nfs/dbraw/zinc/98/72/39/513987239.db2.gz CZAKLZOLKMUKMO-AWEZNQCLSA-N -1 3 368.455 2.839 20 5 FFBDHM O=[N+]([O-])c1cccc(Cl)c1NCC[N-]S(=O)(=O)c1cccs1 ZINC000432343100 514167028 /nfs/dbraw/zinc/16/70/28/514167028.db2.gz RFWFEVBPNLTBSJ-UHFFFAOYSA-N -1 3 361.832 2.700 20 5 FFBDHM CC(=O)N(c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1)[C@@H]1C[C@H]1C ZINC000452159988 514223198 /nfs/dbraw/zinc/22/31/98/514223198.db2.gz SZWDCWDQVQXFAY-QLJPJBMISA-N -1 3 370.365 2.709 20 5 FFBDHM CN(c1ccccc1)c1ccc(CNCCOCC(=O)[O-])cc1[N+](=O)[O-] ZINC000417624400 514440836 /nfs/dbraw/zinc/44/08/36/514440836.db2.gz OIKCLIMQYSVSIP-UHFFFAOYSA-N -1 3 359.382 2.554 20 5 FFBDHM CCOc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ncccc12 ZINC000445217960 514444497 /nfs/dbraw/zinc/44/44/97/514444497.db2.gz QFLPNQGKUUHJGQ-UHFFFAOYSA-N -1 3 354.322 2.895 20 5 FFBDHM Cc1nn(C)c2cc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccc12 ZINC000461342193 514574889 /nfs/dbraw/zinc/57/48/89/514574889.db2.gz HTTFOZUDGVDADC-UHFFFAOYSA-N -1 3 374.422 2.774 20 5 FFBDHM Cc1nc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n(-c2ccccc2)n1 ZINC000479577946 514638150 /nfs/dbraw/zinc/63/81/50/514638150.db2.gz LOHRUDSWVNVPOY-UHFFFAOYSA-N -1 3 363.333 2.904 20 5 FFBDHM CO[C@H]1CCC[C@@H](CC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C1 ZINC000479859178 514746746 /nfs/dbraw/zinc/74/67/46/514746746.db2.gz LVVBVPLCMOIOFH-DOMZBBRYSA-N -1 3 358.398 2.941 20 5 FFBDHM COc1cc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C ZINC000467066910 514884966 /nfs/dbraw/zinc/88/49/66/514884966.db2.gz YOHJLAPRFILKPH-UHFFFAOYSA-N -1 3 370.452 2.803 20 5 FFBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(F)cc1 ZINC000467075829 514889876 /nfs/dbraw/zinc/88/98/76/514889876.db2.gz RDFNRTWMTKOJQP-LBPRGKRZSA-N -1 3 374.415 2.770 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(N(C)C)c2)cc1C ZINC000498570631 514975831 /nfs/dbraw/zinc/97/58/31/514975831.db2.gz NEGKRRJELCRCCJ-UHFFFAOYSA-N -1 3 363.439 2.756 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]CCO[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000467394261 514993856 /nfs/dbraw/zinc/99/38/56/514993856.db2.gz OKPKUBUJOMYLPI-MFKMUULPSA-N -1 3 362.473 2.838 20 5 FFBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1nnn[n-]1 ZINC000485416505 515032433 /nfs/dbraw/zinc/03/24/33/515032433.db2.gz KFYGMRAWDKQFTO-SNVBAGLBSA-N -1 3 357.349 2.549 20 5 FFBDHM C[C@H](CN(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)c1nn[n-]n1 ZINC000485416505 515032438 /nfs/dbraw/zinc/03/24/38/515032438.db2.gz KFYGMRAWDKQFTO-SNVBAGLBSA-N -1 3 357.349 2.549 20 5 FFBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c1[N+](=O)[O-] ZINC000480727376 515061970 /nfs/dbraw/zinc/06/19/70/515061970.db2.gz JDVFNGSCRQSODG-LBPRGKRZSA-N -1 3 356.444 2.836 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000462499824 515088287 /nfs/dbraw/zinc/08/82/87/515088287.db2.gz GRTZKYQVYJBNSA-DZGCQCFKSA-N -1 3 362.407 2.513 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c1C ZINC000480923620 515137355 /nfs/dbraw/zinc/13/73/55/515137355.db2.gz BUBIDLJSZYKSGM-UHFFFAOYSA-N -1 3 356.350 2.968 20 5 FFBDHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000490338348 515179752 /nfs/dbraw/zinc/17/97/52/515179752.db2.gz QOFZWXRAYQFSMM-UHFFFAOYSA-N -1 3 364.301 2.994 20 5 FFBDHM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000490361875 515187489 /nfs/dbraw/zinc/18/74/89/515187489.db2.gz GLYHRXLVUNRCRA-UHFFFAOYSA-N -1 3 357.351 2.896 20 5 FFBDHM CC[C@H](C)c1nc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]1 ZINC000486650415 515579600 /nfs/dbraw/zinc/57/96/00/515579600.db2.gz YTRFRFIRDJWQGT-GXSJLCMTSA-N -1 3 367.431 2.574 20 5 FFBDHM CC[C@H](C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]1 ZINC000486650415 515579609 /nfs/dbraw/zinc/57/96/09/515579609.db2.gz YTRFRFIRDJWQGT-GXSJLCMTSA-N -1 3 367.431 2.574 20 5 FFBDHM COCC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(C)(C)C ZINC000510622049 515611169 /nfs/dbraw/zinc/61/11/69/515611169.db2.gz LRXIGVDGSYPBQD-CQSZACIVSA-N -1 3 358.460 2.941 20 5 FFBDHM COc1cc2c(cc1F)CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000510636379 515619029 /nfs/dbraw/zinc/61/90/29/515619029.db2.gz CQGDHJCNWFNZLZ-NSHDSACASA-N -1 3 372.399 2.770 20 5 FFBDHM O=C(C[N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000464182801 515733021 /nfs/dbraw/zinc/73/30/21/515733021.db2.gz FVMGAVBVLSHMPH-UHFFFAOYSA-N -1 3 368.798 2.551 20 5 FFBDHM COC(=O)c1cccc2nc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])[n-]c21 ZINC000494122010 515739189 /nfs/dbraw/zinc/73/91/89/515739189.db2.gz VQEMMCDTJLOFAK-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])nc21 ZINC000494122010 515739199 /nfs/dbraw/zinc/73/91/99/515739199.db2.gz VQEMMCDTJLOFAK-UHFFFAOYSA-N -1 3 370.321 2.519 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000511014433 515746382 /nfs/dbraw/zinc/74/63/82/515746382.db2.gz NBDGZTHSSGWKEO-QMMMGPOBSA-N -1 3 366.424 2.881 20 5 FFBDHM CCc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000506006422 515749625 /nfs/dbraw/zinc/74/96/25/515749625.db2.gz GOHHMICMESNDIX-UHFFFAOYSA-N -1 3 353.338 2.900 20 5 FFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cn(Cc2cccc(F)c2)nn1 ZINC000469416914 515807211 /nfs/dbraw/zinc/80/72/11/515807211.db2.gz WTTHZGXJCDSDQT-UHFFFAOYSA-N -1 3 359.292 2.765 20 5 FFBDHM CC(C)(NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1[N+](=O)[O-] ZINC000494444250 515847319 /nfs/dbraw/zinc/84/73/19/515847319.db2.gz LFOCRBIWFJCGCW-UHFFFAOYSA-N -1 3 368.349 2.535 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479129463 516069374 /nfs/dbraw/zinc/06/93/74/516069374.db2.gz LLBKFUBLVCOBQK-GFCCVEGCSA-N -1 3 352.334 2.913 20 5 FFBDHM C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507285501 516156820 /nfs/dbraw/zinc/15/68/20/516156820.db2.gz VDXAAVBWHNIRGJ-LIRRHRJNSA-N -1 3 369.421 2.941 20 5 FFBDHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000479346332 516157661 /nfs/dbraw/zinc/15/76/61/516157661.db2.gz PXWRGGIXBRZUAA-QMTHXVAHSA-N -1 3 360.407 2.606 20 5 FFBDHM Cc1cccc(CN(CCN(C)C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000507323254 516173167 /nfs/dbraw/zinc/17/31/67/516173167.db2.gz HEIDFVIZFOLHTD-UHFFFAOYSA-N -1 3 357.410 2.813 20 5 FFBDHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000497417713 516321201 /nfs/dbraw/zinc/32/12/01/516321201.db2.gz MLKHVRGEKOFNFR-CYBMUJFWSA-N -1 3 364.423 2.821 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)c(Br)c1 ZINC000557849186 516469565 /nfs/dbraw/zinc/46/95/65/516469565.db2.gz MDYIMAQQOQVKFH-HTQZYQBOSA-N -1 3 367.196 2.526 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c(Br)c1 ZINC000557849188 516469890 /nfs/dbraw/zinc/46/98/90/516469890.db2.gz MDYIMAQQOQVKFH-SFYZADRCSA-N -1 3 367.196 2.526 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000550918074 516480507 /nfs/dbraw/zinc/48/05/07/516480507.db2.gz IGKZDJUYSJZXIO-UHFFFAOYSA-N -1 3 374.777 2.874 20 5 FFBDHM CCC(CC)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000518705287 516747044 /nfs/dbraw/zinc/74/70/44/516747044.db2.gz QCWJOYTYBXBVTQ-UHFFFAOYSA-N -1 3 351.222 2.824 20 5 FFBDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000525150553 516933184 /nfs/dbraw/zinc/93/31/84/516933184.db2.gz BFVXBAVTMPGPHI-UHFFFAOYSA-N -1 3 352.734 2.709 20 5 FFBDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000525150553 516933188 /nfs/dbraw/zinc/93/31/88/516933188.db2.gz BFVXBAVTMPGPHI-UHFFFAOYSA-N -1 3 352.734 2.709 20 5 FFBDHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC000544840787 516953955 /nfs/dbraw/zinc/95/39/55/516953955.db2.gz BZLOVZIUFVYIJP-UHFFFAOYSA-N -1 3 352.334 2.975 20 5 FFBDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000537183898 517073042 /nfs/dbraw/zinc/07/30/42/517073042.db2.gz SJBNXZFMHPAZAY-HUUCEWRRSA-N -1 3 362.407 2.828 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000548613089 517087205 /nfs/dbraw/zinc/08/72/05/517087205.db2.gz ZZIYKEBVFXIEIZ-GOSISDBHSA-N -1 3 354.366 2.570 20 5 FFBDHM CN1CCc2ccc(C(=O)N=c3cc(-c4cccc([N+](=O)[O-])c4)[n-][nH]3)cc21 ZINC000541585787 517125402 /nfs/dbraw/zinc/12/54/02/517125402.db2.gz IGNQAYZMJJWJJX-UHFFFAOYSA-N -1 3 363.377 2.651 20 5 FFBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[N-]c1nncn1C1CC1 ZINC000552321685 517197035 /nfs/dbraw/zinc/19/70/35/517197035.db2.gz AVKLEKQZLQYWLR-MRVPVSSYSA-N -1 3 351.750 2.581 20 5 FFBDHM COC(=O)Cc1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000542121361 517391029 /nfs/dbraw/zinc/39/10/29/517391029.db2.gz OEZNXBVHNXVWOK-UHFFFAOYSA-N -1 3 370.408 2.519 20 5 FFBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000552824831 517406696 /nfs/dbraw/zinc/40/66/96/517406696.db2.gz QNIXTANJUYSFSF-CYBMUJFWSA-N -1 3 370.814 2.569 20 5 FFBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN2[C@@H](C)CCC[C@@H]2C)cc1C ZINC000552883158 517427555 /nfs/dbraw/zinc/42/75/55/517427555.db2.gz RBMOIROKOFJXGV-GJZGRUSLSA-N -1 3 369.487 2.753 20 5 FFBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1cc(-c2ccccc2)no1 ZINC000546093533 517539956 /nfs/dbraw/zinc/53/99/56/517539956.db2.gz KJKOFIKTOGSSGY-UHFFFAOYSA-N -1 3 373.390 2.869 20 5 FFBDHM CC(C)(C)n1cnc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000543174872 517946414 /nfs/dbraw/zinc/94/64/14/517946414.db2.gz UZELMICQSITPSP-UHFFFAOYSA-N -1 3 368.191 2.956 20 5 FFBDHM CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 ZINC000566925863 518269193 /nfs/dbraw/zinc/26/91/93/518269193.db2.gz JPERCLGJZKQAQF-CQSZACIVSA-N -1 3 363.801 2.987 20 5 FFBDHM C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000567166627 518386125 /nfs/dbraw/zinc/38/61/25/518386125.db2.gz HABUJNIQRWOBCB-WBMJQRKESA-N -1 3 358.398 2.538 20 5 FFBDHM CN1CCC[C@]2(CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)C1 ZINC000578990839 518470220 /nfs/dbraw/zinc/47/02/20/518470220.db2.gz CNQDGHPHVKWHIV-INIZCTEOSA-N -1 3 353.806 2.512 20 5 FFBDHM CCCCN(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000574335646 519106908 /nfs/dbraw/zinc/10/69/08/519106908.db2.gz ONJRBUBUAYKKEE-NSHDSACASA-N -1 3 363.867 2.647 20 5 FFBDHM CCc1[n-][nH]c(=NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000574339445 519107484 /nfs/dbraw/zinc/10/74/84/519107484.db2.gz QYDLCHNWJRNBFN-VIFPVBQESA-N -1 3 352.778 2.670 20 5 FFBDHM COc1cc(CN2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000566368003 519457342 /nfs/dbraw/zinc/45/73/42/519457342.db2.gz PLASXJSMLAEYAH-HZPDHXFCSA-N -1 3 356.378 2.904 20 5 FFBDHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594477778 519987447 /nfs/dbraw/zinc/98/74/47/519987447.db2.gz AOYLMPCSKIOBAA-JTQLQIEISA-N -1 3 350.462 2.694 20 5 FFBDHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000612562135 520023565 /nfs/dbraw/zinc/02/35/65/520023565.db2.gz ZHLQCTKFAFYJCE-UHFFFAOYSA-N -1 3 353.378 2.773 20 5 FFBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2ccccc2C)CC1 ZINC000592066531 520163747 /nfs/dbraw/zinc/16/37/47/520163747.db2.gz BNTILUSZIYNDJB-UHFFFAOYSA-N -1 3 362.407 2.879 20 5 FFBDHM O=C(CCCc1ccccn1)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000609202713 520230202 /nfs/dbraw/zinc/23/02/02/520230202.db2.gz XUUUQQVOPMEUGE-UHFFFAOYSA-N -1 3 351.366 2.763 20 5 FFBDHM COc1cc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000609323135 520278477 /nfs/dbraw/zinc/27/84/77/520278477.db2.gz VBRLIAKKYZFCHX-UHFFFAOYSA-N -1 3 370.358 2.860 20 5 FFBDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000598195830 520486640 /nfs/dbraw/zinc/48/66/40/520486640.db2.gz UHBXDUMVTXMFPS-INIZCTEOSA-N -1 3 369.421 2.689 20 5 FFBDHM CCCn1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000617433982 520495168 /nfs/dbraw/zinc/49/51/68/520495168.db2.gz NKRKTUPFQQHKOH-UHFFFAOYSA-N -1 3 351.428 2.902 20 5 FFBDHM CCOC(=O)Cc1cccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000609998371 520500136 /nfs/dbraw/zinc/50/01/36/520500136.db2.gz KEZWRDWPCPTFMQ-UHFFFAOYSA-N -1 3 368.349 2.829 20 5 FFBDHM Cc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)nn1 ZINC000610353744 520648694 /nfs/dbraw/zinc/64/86/94/520648694.db2.gz BCHRZTZEOWLRMU-UHFFFAOYSA-N -1 3 367.321 2.838 20 5 FFBDHM Cc1ccccc1CN1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000592968844 520665336 /nfs/dbraw/zinc/66/53/36/520665336.db2.gz WXRKLIICNDYILF-UHFFFAOYSA-N -1 3 370.409 2.709 20 5 FFBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000610591758 520756068 /nfs/dbraw/zinc/75/60/68/520756068.db2.gz VRDHCISHPFYILP-UHFFFAOYSA-N -1 3 364.276 2.630 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)[C@@H]1CCCCO1 ZINC000610715872 520811990 /nfs/dbraw/zinc/81/19/90/520811990.db2.gz VWNXKXJNWBHHAX-AWEZNQCLSA-N -1 3 356.444 2.777 20 5 FFBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc3c2CCOC3)cc1[N+](=O)[O-] ZINC000601515565 520820281 /nfs/dbraw/zinc/82/02/81/520820281.db2.gz PBNWHKXOGNXZET-UHFFFAOYSA-N -1 3 368.436 2.516 20 5 FFBDHM COc1cc(CN(CC(=O)[O-])CC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000593290459 520886488 /nfs/dbraw/zinc/88/64/88/520886488.db2.gz FGJWUAVWEZFAJD-UHFFFAOYSA-N -1 3 360.313 2.501 20 5 FFBDHM COC(=O)CCCOc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596128408 520928642 /nfs/dbraw/zinc/92/86/42/520928642.db2.gz HDIBIFLAZZLNSA-UHFFFAOYSA-N -1 3 361.354 2.640 20 5 FFBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000596176404 520953647 /nfs/dbraw/zinc/95/36/47/520953647.db2.gz FVAFXKGPEGDPLB-CYBMUJFWSA-N -1 3 367.308 2.875 20 5 FFBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)nc1 ZINC000593591624 521096407 /nfs/dbraw/zinc/09/64/07/521096407.db2.gz YFQCWRYOTZOCJG-AULYBMBSSA-N -1 3 367.814 2.868 20 5 FFBDHM CCC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCC ZINC000599367150 521177662 /nfs/dbraw/zinc/17/76/62/521177662.db2.gz BDLXXKBPPNEZFO-NSHDSACASA-N -1 3 350.824 2.732 20 5 FFBDHM CSc1ccc([O-])c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000596649452 521188770 /nfs/dbraw/zinc/18/87/70/521188770.db2.gz KAOBSQHIMYXTCM-UHFFFAOYSA-N -1 3 373.434 2.985 20 5 FFBDHM COc1c(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599520277 521275243 /nfs/dbraw/zinc/27/52/43/521275243.db2.gz IKKZRCMDKNLRES-JTQLQIEISA-N -1 3 358.391 2.601 20 5 FFBDHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000482285671 561251973 /nfs/dbraw/zinc/25/19/73/561251973.db2.gz KNKKUOJAMLTPGM-UHFFFAOYSA-N -1 3 369.328 2.636 20 5 FFBDHM Cn1[n-]c(=NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC(F)F ZINC000490945463 561440785 /nfs/dbraw/zinc/44/07/85/561440785.db2.gz TZEGSJRIWORFHT-UHFFFAOYSA-N -1 3 358.326 2.661 20 5 FFBDHM CN(C)C(=O)Cn1ccc([N-]c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n1 ZINC000504037117 561652236 /nfs/dbraw/zinc/65/22/36/561652236.db2.gz UEMLFDPCTGWXEL-UHFFFAOYSA-N -1 3 366.381 2.685 20 5 FFBDHM COc1cccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821873235 599063527 /nfs/dbraw/zinc/06/35/27/599063527.db2.gz TXLQANJIENWUMO-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM COc1cccc(O[C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821873235 599063529 /nfs/dbraw/zinc/06/35/29/599063529.db2.gz TXLQANJIENWUMO-NSHDSACASA-N -1 3 370.369 2.663 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737367870 599180495 /nfs/dbraw/zinc/18/04/95/599180495.db2.gz BMEMLKVMUPBTAR-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737367870 599180497 /nfs/dbraw/zinc/18/04/97/599180497.db2.gz BMEMLKVMUPBTAR-UHFFFAOYSA-N -1 3 358.745 2.989 20 5 FFBDHM CC(C)c1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000820192349 599273984 /nfs/dbraw/zinc/27/39/84/599273984.db2.gz KQVUPTSEJMAMPF-UHFFFAOYSA-N -1 3 353.386 2.948 20 5 FFBDHM CC(C)c1ccc(CCNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000820192349 599273987 /nfs/dbraw/zinc/27/39/87/599273987.db2.gz KQVUPTSEJMAMPF-UHFFFAOYSA-N -1 3 353.386 2.948 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1Cc2ccccc2C(F)(F)C1 ZINC000823629895 607331386 /nfs/dbraw/zinc/33/13/86/607331386.db2.gz LATWWTLYOQLFJE-UHFFFAOYSA-N -1 3 358.308 2.887 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1Cc2ccccc2C(F)(F)C1 ZINC000823629895 607331387 /nfs/dbraw/zinc/33/13/87/607331387.db2.gz LATWWTLYOQLFJE-UHFFFAOYSA-N -1 3 358.308 2.887 20 5 FFBDHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820218885 607331642 /nfs/dbraw/zinc/33/16/42/607331642.db2.gz AYXUORXIPIUZER-GTNSWQLSSA-N -1 3 366.381 2.603 20 5 FFBDHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820218885 607331643 /nfs/dbraw/zinc/33/16/43/607331643.db2.gz AYXUORXIPIUZER-GTNSWQLSSA-N -1 3 366.381 2.603 20 5 FFBDHM CN(C[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736791282 598246380 /nfs/dbraw/zinc/24/63/80/598246380.db2.gz KUOIXJRYAYEQEW-KRWDZBQOSA-N -1 3 366.381 2.525 20 5 FFBDHM CN(C[C@@H]1OCCc2ccccc21)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736791282 598246382 /nfs/dbraw/zinc/24/63/82/598246382.db2.gz KUOIXJRYAYEQEW-KRWDZBQOSA-N -1 3 366.381 2.525 20 5 FFBDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737962134 598498731 /nfs/dbraw/zinc/49/87/31/598498731.db2.gz PLRIDAQLDKWBAS-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000737962134 598498733 /nfs/dbraw/zinc/49/87/33/598498733.db2.gz PLRIDAQLDKWBAS-UHFFFAOYSA-N -1 3 358.745 2.610 20 5 FFBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1 ZINC000823414329 599695389 /nfs/dbraw/zinc/69/53/89/599695389.db2.gz UMDAVPPFOUAKBQ-UHFFFAOYSA-N -1 3 365.758 2.847 20 5 FFBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000826252564 607388427 /nfs/dbraw/zinc/38/84/27/607388427.db2.gz IDIGXMIOJWAYHT-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cccc([N+](=O)[O-])c1C ZINC000826252564 607388429 /nfs/dbraw/zinc/38/84/29/607388429.db2.gz IDIGXMIOJWAYHT-UHFFFAOYSA-N -1 3 353.338 2.749 20 5 FFBDHM Cc1cc(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1[N+](=O)[O-] ZINC000826258657 607420931 /nfs/dbraw/zinc/42/09/31/607420931.db2.gz RFYSTPNEADKSAS-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM Cc1cc(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1[N+](=O)[O-] ZINC000826258657 607420933 /nfs/dbraw/zinc/42/09/33/607420933.db2.gz RFYSTPNEADKSAS-UHFFFAOYSA-N -1 3 364.365 2.502 20 5 FFBDHM CC(=O)c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000824030211 607536735 /nfs/dbraw/zinc/53/67/35/607536735.db2.gz ZNZBKOLKEHIRRY-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2cc(F)ccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000824030211 607536737 /nfs/dbraw/zinc/53/67/37/607536737.db2.gz ZNZBKOLKEHIRRY-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000824030168 607538668 /nfs/dbraw/zinc/53/86/68/607538668.db2.gz XVYKXNGNELWRJC-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM CC(=O)c1ccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000824030168 607538670 /nfs/dbraw/zinc/53/86/70/607538670.db2.gz XVYKXNGNELWRJC-UHFFFAOYSA-N -1 3 357.301 2.696 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc3c(cnn3C(F)F)c2)c(-c2nnn[n-]2)c1 ZINC000826500501 607565486 /nfs/dbraw/zinc/56/54/86/607565486.db2.gz ABIHIYOYEKMGTR-UHFFFAOYSA-N -1 3 373.283 2.658 20 5 FFBDHM O=[N+]([O-])c1cnc(Nc2ccc3c(cnn3C(F)F)c2)c(-c2nn[n-]n2)c1 ZINC000826500501 607565488 /nfs/dbraw/zinc/56/54/88/607565488.db2.gz ABIHIYOYEKMGTR-UHFFFAOYSA-N -1 3 373.283 2.658 20 5 FFBDHM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409793 604949908 /nfs/dbraw/zinc/94/99/08/604949908.db2.gz RXRTTXYNMOXVMV-OLZOCXBDSA-N -1 3 363.414 2.745 20 5 FFBDHM CC(C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccn1 ZINC000824319471 607734733 /nfs/dbraw/zinc/73/47/33/607734733.db2.gz RPQYSQSKYWYYHL-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM CC(C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccn1 ZINC000824319471 607734734 /nfs/dbraw/zinc/73/47/34/607734734.db2.gz RPQYSQSKYWYYHL-UHFFFAOYSA-N -1 3 355.358 2.569 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822928566 606267399 /nfs/dbraw/zinc/26/73/99/606267399.db2.gz KIWJHXJMKCJGLM-BAQGIRSFSA-N -1 3 354.301 2.566 20 5 FFBDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822928566 606267400 /nfs/dbraw/zinc/26/74/00/606267400.db2.gz KIWJHXJMKCJGLM-BAQGIRSFSA-N -1 3 354.301 2.566 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229002 606448808 /nfs/dbraw/zinc/44/88/08/606448808.db2.gz KJNNCYATWBMGOG-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229002 606448809 /nfs/dbraw/zinc/44/88/09/606448809.db2.gz KJNNCYATWBMGOG-NSHDSACASA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822228967 606448829 /nfs/dbraw/zinc/44/88/29/606448829.db2.gz JUAUXGQXGXXLCD-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228967 606448831 /nfs/dbraw/zinc/44/88/31/606448831.db2.gz JUAUXGQXGXXLCD-LLVKDONJSA-N -1 3 352.354 2.574 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229066 606448954 /nfs/dbraw/zinc/44/89/54/606448954.db2.gz LNSRKMCUDMZNQX-GFCCVEGCSA-N -1 3 366.381 2.503 20 5 FFBDHM Cc1ccc([C@@H](C)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229066 606448956 /nfs/dbraw/zinc/44/89/56/606448956.db2.gz LNSRKMCUDMZNQX-GFCCVEGCSA-N -1 3 366.381 2.503 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823187406 606517025 /nfs/dbraw/zinc/51/70/25/606517025.db2.gz KCNZNEFLHVIHLI-UHFFFAOYSA-N -1 3 372.410 2.589 20 5 FFBDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823187406 606517026 /nfs/dbraw/zinc/51/70/26/606517026.db2.gz KCNZNEFLHVIHLI-UHFFFAOYSA-N -1 3 372.410 2.589 20 5 FFBDHM Cc1noc(C2CCC(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)n1 ZINC000822527757 606609783 /nfs/dbraw/zinc/60/97/83/606609783.db2.gz CMRROSKFAWJZNN-UHFFFAOYSA-N -1 3 370.373 2.605 20 5 FFBDHM Cc1noc(C2CCC(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)n1 ZINC000822527757 606609784 /nfs/dbraw/zinc/60/97/84/606609784.db2.gz CMRROSKFAWJZNN-UHFFFAOYSA-N -1 3 370.373 2.605 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCS3)cc(-c3nnn[n-]3)c2c1 ZINC000823645488 606800631 /nfs/dbraw/zinc/80/06/31/606800631.db2.gz RDRGQMUZPXATHD-JTQLQIEISA-N -1 3 357.399 2.631 20 5 FFBDHM O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCS3)cc(-c3nn[n-]n3)c2c1 ZINC000823645488 606800633 /nfs/dbraw/zinc/80/06/33/606800633.db2.gz RDRGQMUZPXATHD-JTQLQIEISA-N -1 3 357.399 2.631 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821727794 606837763 /nfs/dbraw/zinc/83/77/63/606837763.db2.gz OEJZBBNSDGRKIB-UHFFFAOYSA-N -1 3 371.353 2.631 20 5 FFBDHM COc1cc([N+](=O)[O-])ccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821727794 606837764 /nfs/dbraw/zinc/83/77/64/606837764.db2.gz OEJZBBNSDGRKIB-UHFFFAOYSA-N -1 3 371.353 2.631 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822982243 607004509 /nfs/dbraw/zinc/00/45/09/607004509.db2.gz CWKRTOSGAGPMPO-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822982243 607004512 /nfs/dbraw/zinc/00/45/12/607004512.db2.gz CWKRTOSGAGPMPO-UHFFFAOYSA-N -1 3 371.328 2.590 20 5 FFBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823450345 607246411 /nfs/dbraw/zinc/24/64/11/607246411.db2.gz PADJHXOQOFNJSP-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823450345 607246412 /nfs/dbraw/zinc/24/64/12/607246412.db2.gz PADJHXOQOFNJSP-UHFFFAOYSA-N -1 3 363.692 2.787 20 5 FFBDHM CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379517 607799352 /nfs/dbraw/zinc/79/93/52/607799352.db2.gz GYCIFMDTZSCIRD-UHFFFAOYSA-N -1 3 356.317 2.581 20 5 FFBDHM CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379517 607799353 /nfs/dbraw/zinc/79/93/53/607799353.db2.gz GYCIFMDTZSCIRD-UHFFFAOYSA-N -1 3 356.317 2.581 20 5 FFBDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000825782636 607975980 /nfs/dbraw/zinc/97/59/80/607975980.db2.gz JVQAXDYAPHPZFK-UHFFFAOYSA-N -1 3 365.353 2.820 20 5 FFBDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c([N+](=O)[O-])c1 ZINC000825782636 607975981 /nfs/dbraw/zinc/97/59/81/607975981.db2.gz JVQAXDYAPHPZFK-UHFFFAOYSA-N -1 3 365.353 2.820 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826304413 608008978 /nfs/dbraw/zinc/00/89/78/608008978.db2.gz KGNDTTHBTOHZAJ-MDZDMXLPSA-N -1 3 351.322 2.702 20 5 FFBDHM Cc1cccc([N+](=O)[O-])c1OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826304413 608008979 /nfs/dbraw/zinc/00/89/79/608008979.db2.gz KGNDTTHBTOHZAJ-MDZDMXLPSA-N -1 3 351.322 2.702 20 5 FFBDHM Cc1cn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1-c1nnn[n-]1 ZINC000826317342 608025339 /nfs/dbraw/zinc/02/53/39/608025339.db2.gz YXEAMPNXHDDNSN-UHFFFAOYSA-N -1 3 351.326 2.588 20 5 FFBDHM Cc1cn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cc1-c1nn[n-]n1 ZINC000826317342 608025340 /nfs/dbraw/zinc/02/53/40/608025340.db2.gz YXEAMPNXHDDNSN-UHFFFAOYSA-N -1 3 351.326 2.588 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000826497500 608098885 /nfs/dbraw/zinc/09/88/85/608098885.db2.gz JFNVIKINPPNJBF-WXHSDQCUSA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000826497500 608098886 /nfs/dbraw/zinc/09/88/86/608098886.db2.gz JFNVIKINPPNJBF-WXHSDQCUSA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3SCCS[C@H]23)c(-c2nnn[n-]2)c1 ZINC000826499065 608099070 /nfs/dbraw/zinc/09/90/70/608099070.db2.gz UOPSRKYXOGPDIX-JHJVBQTASA-N -1 3 364.456 2.566 20 5 FFBDHM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3SCCS[C@H]23)c(-c2nn[n-]n2)c1 ZINC000826499065 608099071 /nfs/dbraw/zinc/09/90/71/608099071.db2.gz UOPSRKYXOGPDIX-JHJVBQTASA-N -1 3 364.456 2.566 20 5 FFBDHM CCCCSCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000825296498 608163181 /nfs/dbraw/zinc/16/31/81/608163181.db2.gz LXPALPPQEDOROR-UHFFFAOYSA-N -1 3 370.822 2.900 20 5 FFBDHM CCCCSCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000825296498 608163183 /nfs/dbraw/zinc/16/31/83/608163183.db2.gz LXPALPPQEDOROR-UHFFFAOYSA-N -1 3 370.822 2.900 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](CO)c1ccc(Cl)cc1 ZINC000826497379 608240293 /nfs/dbraw/zinc/24/02/93/608240293.db2.gz FNZUWCZKOZOGRO-ZDUSSCGKSA-N -1 3 360.761 2.574 20 5 FFBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](CO)c1ccc(Cl)cc1 ZINC000826497379 608240294 /nfs/dbraw/zinc/24/02/94/608240294.db2.gz FNZUWCZKOZOGRO-ZDUSSCGKSA-N -1 3 360.761 2.574 20 5 FFBDHM C[C@H]1CCN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000824963094 608303417 /nfs/dbraw/zinc/30/34/17/608303417.db2.gz ZJBKLZGVXUVYQW-WDEREUQCSA-N -1 3 353.386 2.805 20 5 FFBDHM C[C@H]1CCN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000824963094 608303419 /nfs/dbraw/zinc/30/34/19/608303419.db2.gz ZJBKLZGVXUVYQW-WDEREUQCSA-N -1 3 353.386 2.805 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccccc2-n2ccnc2)c(-c2nnn[n-]2)c1 ZINC000826498760 608383502 /nfs/dbraw/zinc/38/35/02/608383502.db2.gz IRABNAHESAVUOS-UHFFFAOYSA-N -1 3 362.353 2.573 20 5 FFBDHM O=[N+]([O-])c1ccc(NCc2ccccc2-n2ccnc2)c(-c2nn[n-]n2)c1 ZINC000826498760 608383504 /nfs/dbraw/zinc/38/35/04/608383504.db2.gz IRABNAHESAVUOS-UHFFFAOYSA-N -1 3 362.353 2.573 20 5 FFBDHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824478232 608433080 /nfs/dbraw/zinc/43/30/80/608433080.db2.gz FYLDDBIRRRJKOF-LBPRGKRZSA-N -1 3 366.381 2.585 20 5 FFBDHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824478232 608433082 /nfs/dbraw/zinc/43/30/82/608433082.db2.gz FYLDDBIRRRJKOF-LBPRGKRZSA-N -1 3 366.381 2.585 20 5 FFBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826278251 608479170 /nfs/dbraw/zinc/47/91/70/608479170.db2.gz VSKGMBAYMRSIQT-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000826278251 608479172 /nfs/dbraw/zinc/47/91/72/608479172.db2.gz VSKGMBAYMRSIQT-LLVKDONJSA-N -1 3 367.369 2.966 20 5 FFBDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000825632409 609477274 /nfs/dbraw/zinc/47/72/74/609477274.db2.gz QPKFTWIJYOZCIE-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000825632409 609477275 /nfs/dbraw/zinc/47/72/75/609477275.db2.gz QPKFTWIJYOZCIE-UHFFFAOYSA-N -1 3 370.369 2.794 20 5 FFBDHM CC(C)OCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824309182 609508972 /nfs/dbraw/zinc/50/89/72/609508972.db2.gz ICOSGASSLYADIL-UHFFFAOYSA-N -1 3 368.781 2.572 20 5 FFBDHM CC(C)OCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824309182 609508973 /nfs/dbraw/zinc/50/89/73/609508973.db2.gz ICOSGASSLYADIL-UHFFFAOYSA-N -1 3 368.781 2.572 20 5 FFBDHM CC(C)[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000824337947 609587504 /nfs/dbraw/zinc/58/75/04/609587504.db2.gz KVYWUKJRBABHSQ-CYBMUJFWSA-N -1 3 362.390 2.553 20 5 FFBDHM CC(C)[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000824337947 609587506 /nfs/dbraw/zinc/58/75/06/609587506.db2.gz KVYWUKJRBABHSQ-CYBMUJFWSA-N -1 3 362.390 2.553 20 5 FFBDHM