smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1C ZINC000134768918 704831933 /nfs/dbraw/zinc/83/19/33/704831933.db2.gz WLXSGAWFPAQUTI-UHFFFAOYSA-N 0 2 366.370 3.354 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(Cl)cc2C)c1C ZINC000152994265 704982115 /nfs/dbraw/zinc/98/21/15/704982115.db2.gz XBBIXXAMMQRWHV-UHFFFAOYSA-N 0 2 355.803 3.369 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC000780363202 724459128 /nfs/dbraw/zinc/45/91/28/724459128.db2.gz MHFHXPMLDBUIIW-UHFFFAOYSA-N 0 2 358.322 3.342 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(C)cc1C ZINC000794612917 723535339 /nfs/dbraw/zinc/53/53/39/723535339.db2.gz KSIQGJJACUWTNO-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC000798246477 723917994 /nfs/dbraw/zinc/91/79/94/723917994.db2.gz FSDIHFGUNLYXAD-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H](c1ccccc1)C(F)F ZINC000814284906 726953684 /nfs/dbraw/zinc/95/36/84/726953684.db2.gz CXNJAQOQVQGDEU-GFCCVEGCSA-N 0 2 360.313 3.019 20 5 FGBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757924 731631251 /nfs/dbraw/zinc/63/12/51/731631251.db2.gz QPNOYDDFESBQOM-WZRBSPASSA-N 0 2 359.348 3.045 20 5 FGBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757924 731631252 /nfs/dbraw/zinc/63/12/52/731631252.db2.gz QPNOYDDFESBQOM-WZRBSPASSA-N 0 2 359.348 3.045 20 5 FGBDLN CCC(F)(F)CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000859323157 732310616 /nfs/dbraw/zinc/31/06/16/732310616.db2.gz VBZOLWFWQHLWGI-UHFFFAOYSA-N 0 2 363.169 3.225 20 5 FGBDLN Cc1csc(C[C@@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000899545774 742966769 /nfs/dbraw/zinc/96/67/69/742966769.db2.gz XJUPRAHJICYWIC-LBPRGKRZSA-N 0 2 361.423 3.160 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000579832812 505628785 /nfs/dbraw/zinc/62/87/85/505628785.db2.gz VBFVJAPERVNLKS-LLVKDONJSA-N 0 2 364.427 3.126 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060443568 493933842 /nfs/dbraw/zinc/93/38/42/493933842.db2.gz VPTFRBQMSFCYSN-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN COc1c(F)cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1F ZINC000060443665 493933856 /nfs/dbraw/zinc/93/38/56/493933856.db2.gz VDNYYCSILIRYHK-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1C ZINC000060443051 493933881 /nfs/dbraw/zinc/93/38/81/493933881.db2.gz VZQPYZBCGWXDCT-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000088359279 494229625 /nfs/dbraw/zinc/22/96/25/494229625.db2.gz FRKCPXUXIFKXRE-UHFFFAOYSA-N 0 2 355.329 3.090 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000066248429 494294462 /nfs/dbraw/zinc/29/44/62/494294462.db2.gz HRIJGGQMYQZZFL-UHFFFAOYSA-N 0 2 358.807 3.135 20 5 FGBDLN CN(Cc1csc(Br)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067147903 494484891 /nfs/dbraw/zinc/48/48/91/494484891.db2.gz FJMMQHFARRDGIQ-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)n1 ZINC000092546219 494664610 /nfs/dbraw/zinc/66/46/10/494664610.db2.gz SLSPKLLMABJQBU-UHFFFAOYSA-N 0 2 366.377 3.414 20 5 FGBDLN O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547406 494666315 /nfs/dbraw/zinc/66/63/15/494666315.db2.gz DNEALCYLNUOXTJ-UHFFFAOYSA-N 0 2 357.297 3.276 20 5 FGBDLN Cn1cc(Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)cn1 ZINC000092549963 494666513 /nfs/dbraw/zinc/66/65/13/494666513.db2.gz UIIBGZJATUJDPE-UHFFFAOYSA-N 0 2 353.338 3.030 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000121276504 494677803 /nfs/dbraw/zinc/67/78/03/494677803.db2.gz XXQHFTIRGSSTKU-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN CC(C)(C)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000126446891 494753247 /nfs/dbraw/zinc/75/32/47/494753247.db2.gz JHCUHBRCFUWPCO-UHFFFAOYSA-N 0 2 359.404 3.289 20 5 FGBDLN Cc1nc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)co1 ZINC000026540307 494830304 /nfs/dbraw/zinc/83/03/04/494830304.db2.gz OCDXPFVXDSCUTK-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000119022282 495073212 /nfs/dbraw/zinc/07/32/12/495073212.db2.gz LFXZJVDSAMPQJC-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN CCOCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000119275118 495131290 /nfs/dbraw/zinc/13/12/90/495131290.db2.gz DDGZIYSJJOMPAU-UHFFFAOYSA-N 0 2 356.425 3.302 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000176589359 495710649 /nfs/dbraw/zinc/71/06/49/495710649.db2.gz FBQBKEMJPIEALM-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000174101446 495821653 /nfs/dbraw/zinc/82/16/53/495821653.db2.gz DSJPUANYGMBTIL-UHFFFAOYSA-N 0 2 361.301 3.048 20 5 FGBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000180348862 495961331 /nfs/dbraw/zinc/96/13/31/495961331.db2.gz ROVMKZIZEFBELY-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ncc(-c2ccccc2)o1 ZINC000156028339 496136852 /nfs/dbraw/zinc/13/68/52/496136852.db2.gz ABEXMOCQKAXYCN-NSHDSACASA-N 0 2 353.334 3.446 20 5 FGBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1-c1ccccc1Cl ZINC000183919243 496161225 /nfs/dbraw/zinc/16/12/25/496161225.db2.gz ADQJKRUXEKCMMH-UHFFFAOYSA-N 0 2 373.756 3.095 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(F)c(F)c3)ccc2c1 ZINC000156172341 496176990 /nfs/dbraw/zinc/17/69/90/496176990.db2.gz ZNFKUKJSVGQMOJ-UHFFFAOYSA-N 0 2 365.317 3.222 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c1C ZINC000161702259 496224153 /nfs/dbraw/zinc/22/41/53/496224153.db2.gz OWZSDTUJURKRGK-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CCCC2)nn1C ZINC000181108831 496274259 /nfs/dbraw/zinc/27/42/59/496274259.db2.gz NGJJUWZUDROCIL-UHFFFAOYSA-N 0 2 364.427 3.095 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c1C ZINC000162398956 496348346 /nfs/dbraw/zinc/34/83/46/496348346.db2.gz NSFKWYHWBBOWQP-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN CN(CCOc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184612455 496464500 /nfs/dbraw/zinc/46/45/00/496464500.db2.gz FYQTTXUSTBHQMA-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN Cc1cccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000175639863 496477681 /nfs/dbraw/zinc/47/76/81/496477681.db2.gz SLLUTBUHXLRPMP-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1cccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000175639863 496477684 /nfs/dbraw/zinc/47/76/84/496477684.db2.gz SLLUTBUHXLRPMP-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN COCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184806937 496539001 /nfs/dbraw/zinc/53/90/01/496539001.db2.gz PGQSCYFRCYWHCT-UHFFFAOYSA-N 0 2 373.390 3.090 20 5 FGBDLN C[C@H]1CN(c2ccccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000164286530 496601786 /nfs/dbraw/zinc/60/17/86/496601786.db2.gz YFLCAVCSULYGOO-STQMWFEESA-N 0 2 371.393 3.166 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000182116176 496675137 /nfs/dbraw/zinc/67/51/37/496675137.db2.gz FGHSLWOFWRJVAU-DYVFJYSZSA-N 0 2 374.393 3.402 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(C)cc1C ZINC000279940021 497595552 /nfs/dbraw/zinc/59/55/52/497595552.db2.gz MDOMYJDZVWMKCE-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](n2cnc3ccccc32)C1 ZINC000364392988 497936476 /nfs/dbraw/zinc/93/64/76/497936476.db2.gz ICPBFPNKMJAOFE-AWEZNQCLSA-N 0 2 366.377 3.127 20 5 FGBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000331499774 498351228 /nfs/dbraw/zinc/35/12/28/498351228.db2.gz HDCWYUHLYOJHPA-DYVFJYSZSA-N 0 2 356.378 3.211 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)[C@@H]1C[C@@H]1C ZINC000294221741 498623963 /nfs/dbraw/zinc/62/39/63/498623963.db2.gz QUVJHMMYMJTHJZ-MEDUHNTESA-N 0 2 369.377 3.314 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000376062781 499579774 /nfs/dbraw/zinc/57/97/74/499579774.db2.gz VNNICLCTDACVEP-RDTXWAMCSA-N 0 2 374.368 3.168 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)sc1C ZINC000414433384 499791650 /nfs/dbraw/zinc/79/16/50/499791650.db2.gz BRNVEUFZRKWLPJ-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nn1C(C)C ZINC000421189154 499987965 /nfs/dbraw/zinc/98/79/65/499987965.db2.gz ZTWNWLAVCVOZSB-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416252786 499995660 /nfs/dbraw/zinc/99/56/60/499995660.db2.gz BIBXCTXBTHKSHM-ZDUSSCGKSA-N 0 2 362.332 3.426 20 5 FGBDLN CC1(C)CCc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000421258690 500004725 /nfs/dbraw/zinc/00/47/25/500004725.db2.gz MNARTCZOJMHQBP-UHFFFAOYSA-N 0 2 353.425 3.076 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000427775300 500431021 /nfs/dbraw/zinc/43/10/21/500431021.db2.gz BKSIKHKUTAEJAO-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN CCCOc1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000436998872 500590859 /nfs/dbraw/zinc/59/08/59/500590859.db2.gz QHNRTQNERBTQAS-UHFFFAOYSA-N 0 2 356.378 3.288 20 5 FGBDLN CCc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000433499485 500705113 /nfs/dbraw/zinc/70/51/13/500705113.db2.gz ZIWCZONXNKHVEZ-UHFFFAOYSA-N 0 2 350.396 3.226 20 5 FGBDLN CC[C@H](C)[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000443933157 500779779 /nfs/dbraw/zinc/77/97/79/500779779.db2.gz DUBTZASLQKPZMA-GWCFXTLKSA-N 0 2 368.377 3.034 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000434970690 500917423 /nfs/dbraw/zinc/91/74/23/500917423.db2.gz CNZKFMSHOXLUJS-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cs1 ZINC000440302858 500995270 /nfs/dbraw/zinc/99/52/70/500995270.db2.gz AIPRQSSMRZRMRK-SNVBAGLBSA-N 0 2 365.411 3.127 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3nnc(-c4ccccc4)o3)no2)cc1O ZINC000446013125 501062387 /nfs/dbraw/zinc/06/23/87/501062387.db2.gz VUVWCGLRKGSMRB-UHFFFAOYSA-N 0 2 351.278 3.067 20 5 FGBDLN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436674967 501185490 /nfs/dbraw/zinc/18/54/90/501185490.db2.gz SGTZPRMJRMFYCS-INIZCTEOSA-N 0 2 372.377 3.295 20 5 FGBDLN O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccc([N+](=O)[O-])cc1O ZINC000436867271 501224198 /nfs/dbraw/zinc/22/41/98/501224198.db2.gz BHPADXAHGYFHQR-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000451096927 501245446 /nfs/dbraw/zinc/24/54/46/501245446.db2.gz QLDJSBSUQVWGEN-UHFFFAOYSA-N 0 2 367.814 3.241 20 5 FGBDLN Cn1c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2nc1C(F)F ZINC000467501335 501809210 /nfs/dbraw/zinc/80/92/10/501809210.db2.gz JQWOORMBWULSGC-UHFFFAOYSA-N 0 2 362.292 3.377 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CCCCC2)n[nH]1 ZINC000474434568 501835198 /nfs/dbraw/zinc/83/51/98/501835198.db2.gz XYDPATJUNPDLFQ-UHFFFAOYSA-N 0 2 364.427 3.475 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000464540472 502022241 /nfs/dbraw/zinc/02/22/41/502022241.db2.gz KFZCCNIWCJHRMH-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCC(C)C ZINC000486028970 502024038 /nfs/dbraw/zinc/02/40/38/502024038.db2.gz SCQQTIGAACMKCZ-XQRVVYSFSA-N 0 2 361.354 3.010 20 5 FGBDLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1Br ZINC000486052273 502030830 /nfs/dbraw/zinc/03/08/30/502030830.db2.gz NCATWYDMNLNIPO-HYXAFXHYSA-N 0 2 352.144 3.037 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000478682311 502056392 /nfs/dbraw/zinc/05/63/92/502056392.db2.gz PHBKNIFESBBIQM-SNVBAGLBSA-N 0 2 350.400 3.008 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000478703681 502063325 /nfs/dbraw/zinc/06/33/25/502063325.db2.gz MNKWVWALQKDRJN-JTQLQIEISA-N 0 2 364.427 3.316 20 5 FGBDLN CN(CCOc1cccc(Cl)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000468824019 502195702 /nfs/dbraw/zinc/19/57/02/502195702.db2.gz FOTZDQJCOOIGAZ-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN COc1c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cccc1[N+](=O)[O-] ZINC000476067274 502375186 /nfs/dbraw/zinc/37/51/86/502375186.db2.gz JTHBVZOQRWXQDK-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN CCc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1[N+](=O)[O-] ZINC000472532910 502379494 /nfs/dbraw/zinc/37/94/94/502379494.db2.gz LFPRLCAJBHKCQJ-UHFFFAOYSA-N 0 2 355.329 3.334 20 5 FGBDLN COc1cc2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1OC ZINC000483439811 502393311 /nfs/dbraw/zinc/39/33/11/502393311.db2.gz MRKGBJURLZWYPT-UHFFFAOYSA-N 0 2 357.322 3.051 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000469743685 502528706 /nfs/dbraw/zinc/52/87/06/502528706.db2.gz VKZRKWIZEIWHFJ-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN CC[C@@H](C(=O)c1ccc(OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477087193 502673358 /nfs/dbraw/zinc/67/33/58/502673358.db2.gz NJVARFATBGPJRF-INIZCTEOSA-N 0 2 363.391 3.039 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000470459359 502783915 /nfs/dbraw/zinc/78/39/15/502783915.db2.gz QUZRIQXRFZUIFZ-UHFFFAOYSA-N 0 2 374.777 3.397 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000505359111 502893562 /nfs/dbraw/zinc/89/35/62/502893562.db2.gz HDMZDASIJKBHQF-LLVKDONJSA-N 0 2 370.340 3.116 20 5 FGBDLN CCOc1cc(Cl)ccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000505967953 503022792 /nfs/dbraw/zinc/02/27/92/503022792.db2.gz MLADLPOSOBMBCB-UHFFFAOYSA-N 0 2 350.758 3.283 20 5 FGBDLN CC(C)n1c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc2ccccc21 ZINC000498250535 503142535 /nfs/dbraw/zinc/14/25/35/503142535.db2.gz DMAVZBCHXIOHGR-UHFFFAOYSA-N 0 2 354.366 3.161 20 5 FGBDLN Cc1nc2cc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000510762380 503187816 /nfs/dbraw/zinc/18/78/16/503187816.db2.gz IPIXJARYEAOFFK-UHFFFAOYSA-N 0 2 366.377 3.223 20 5 FGBDLN COc1ccc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000507011995 503211948 /nfs/dbraw/zinc/21/19/48/503211948.db2.gz FDPRTNXGMDOGDI-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cnn1CC(C)C ZINC000491591495 503322568 /nfs/dbraw/zinc/32/25/68/503322568.db2.gz LTBBCFNBKWIKKW-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1F ZINC000507573328 503325209 /nfs/dbraw/zinc/32/52/09/503325209.db2.gz ZKDTUELRQFAZCK-UHFFFAOYSA-N 0 2 352.343 3.046 20 5 FGBDLN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000508544484 503517903 /nfs/dbraw/zinc/51/79/03/503517903.db2.gz YFFXAJYQKOSNKX-SNVBAGLBSA-N 0 2 357.391 3.271 20 5 FGBDLN Cc1cnn(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2F)c1 ZINC000512770864 503628710 /nfs/dbraw/zinc/62/87/10/503628710.db2.gz PMSMRQVTLKLIOC-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C3CC3)ccn2)c(Cl)c1 ZINC000517637638 503792183 /nfs/dbraw/zinc/79/21/83/503792183.db2.gz XNKARFPXKOYHFD-UHFFFAOYSA-N 0 2 353.787 3.321 20 5 FGBDLN COc1cccc(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000547795527 504228646 /nfs/dbraw/zinc/22/86/46/504228646.db2.gz STYWPNMSFYVCAU-CQSZACIVSA-N 0 2 356.378 3.156 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541737341 504237917 /nfs/dbraw/zinc/23/79/17/504237917.db2.gz MUPDEFNRNODLAH-QAPCUYQASA-N 0 2 374.368 3.432 20 5 FGBDLN COc1ccccc1CC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000538832192 504386304 /nfs/dbraw/zinc/38/63/04/504386304.db2.gz XMXKEAAYMWNSPT-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000535621518 504487345 /nfs/dbraw/zinc/48/73/45/504487345.db2.gz PHGDALNNLLUNAS-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN O=C(NCCOc1cccc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000539415710 504563605 /nfs/dbraw/zinc/56/36/05/504563605.db2.gz LEGRDPIQAZRSDD-UHFFFAOYSA-N 0 2 352.346 3.262 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C)c3c[nH]nc32)c1 ZINC000542726216 504588872 /nfs/dbraw/zinc/58/88/72/504588872.db2.gz AEXQBZUOLRDSAT-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN O=C(Nc1ccc(Nc2ncccn2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557043288 505051657 /nfs/dbraw/zinc/05/16/57/505051657.db2.gz HSMPOQAYDRUJJG-UHFFFAOYSA-N 0 2 351.322 3.086 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000560928310 505212111 /nfs/dbraw/zinc/21/21/11/505212111.db2.gz RMXBCJKPGALZHS-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN O=c1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c2ccccc2[nH]1 ZINC000558393411 505375209 /nfs/dbraw/zinc/37/52/09/505375209.db2.gz NUGKRGYLURRQCM-UHFFFAOYSA-N 0 2 350.290 3.271 20 5 FGBDLN O=C(Nc1ccc(Oc2cccnc2)nc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552396240 505481637 /nfs/dbraw/zinc/48/16/37/505481637.db2.gz JBBCKCDMUQEAOU-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552484815 505501422 /nfs/dbraw/zinc/50/14/22/505501422.db2.gz SSLNZAFMVJHKTN-UHFFFAOYSA-N 0 2 358.228 3.157 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552564483 505514763 /nfs/dbraw/zinc/51/47/63/505514763.db2.gz KVLLYWSWAYOFPC-TVQRCGJNSA-N 0 2 352.268 3.004 20 5 FGBDLN Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2o1 ZINC000582923796 506489981 /nfs/dbraw/zinc/48/99/81/506489981.db2.gz UGTQKVGYTRSXEH-UHFFFAOYSA-N 0 2 367.770 3.499 20 5 FGBDLN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000612428729 506575240 /nfs/dbraw/zinc/57/52/40/506575240.db2.gz WWHBBCOXDDTRTR-CQSZACIVSA-N 0 2 355.394 3.171 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2C)n1 ZINC000608927094 506744087 /nfs/dbraw/zinc/74/40/87/506744087.db2.gz GLIJUMKNWPOMOK-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 ZINC000608926527 506744413 /nfs/dbraw/zinc/74/44/13/506744413.db2.gz OUJIMDPXQNCIHF-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC[C@@H](C)Oc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000590777269 506948104 /nfs/dbraw/zinc/94/81/04/506948104.db2.gz FIALRNJEWRJYMK-BREXMAIKSA-N 0 2 361.354 3.152 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000597441828 506954610 /nfs/dbraw/zinc/95/46/10/506954610.db2.gz HUCSSYDORFPUIG-UHFFFAOYSA-N 0 2 370.287 3.104 20 5 FGBDLN Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1O ZINC000613324535 507031923 /nfs/dbraw/zinc/03/19/23/507031923.db2.gz YOLUFLQWFWFBKQ-UHFFFAOYSA-N 0 2 373.390 3.266 20 5 FGBDLN COc1cccc([C@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000598223182 507326760 /nfs/dbraw/zinc/32/67/60/507326760.db2.gz AFWKWUNUDKFHLL-LJQANCHMSA-N 0 2 356.378 3.113 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000586800982 507676419 /nfs/dbraw/zinc/67/64/19/507676419.db2.gz FIPQOUNPKSHACX-LBPRGKRZSA-N 0 2 362.769 3.247 20 5 FGBDLN COCCN(Cc1ccc(C)cc1C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611534581 507726722 /nfs/dbraw/zinc/72/67/22/507726722.db2.gz CKLUCTLCRMXDOR-UHFFFAOYSA-N 0 2 358.394 3.206 20 5 FGBDLN Cc1cc(N2C[C@H](C(=O)[O-])CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595972315 507753419 /nfs/dbraw/zinc/75/34/19/507753419.db2.gz AGKYIEPUIZFBET-GXTWGEPZSA-N 0 2 356.382 3.050 20 5 FGBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Br)n1 ZINC000092547526 700437377 /nfs/dbraw/zinc/43/73/77/700437377.db2.gz UUQHNCAYEIHIAB-UHFFFAOYSA-N 0 2 352.144 3.019 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2O)ccc1Cl ZINC000172515997 705421508 /nfs/dbraw/zinc/42/15/08/705421508.db2.gz LHZOWAHRZSCNBC-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3ncsc3c2)c1F ZINC000177843572 705642377 /nfs/dbraw/zinc/64/23/77/705642377.db2.gz FJDDTWRRAGOLJQ-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(F)F)c1 ZINC000619467052 714839606 /nfs/dbraw/zinc/83/96/06/714839606.db2.gz LFVKWKOYRCPGJJ-UHFFFAOYSA-N 0 2 358.322 3.342 20 5 FGBDLN O=C(OCCCCF)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000803525901 724454541 /nfs/dbraw/zinc/45/45/41/724454541.db2.gz XNMVZDQVHKZNRR-UHFFFAOYSA-N 0 2 357.725 3.046 20 5 FGBDLN O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(F)c(O)c(F)c1 ZINC000759544854 723008124 /nfs/dbraw/zinc/00/81/24/723008124.db2.gz HCWGQCBQEPDYSA-UHFFFAOYSA-N 0 2 350.233 3.077 20 5 FGBDLN COc1cc(SC)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000773274694 723781077 /nfs/dbraw/zinc/78/10/77/723781077.db2.gz SCNFBNNJPDXARR-UHFFFAOYSA-N 0 2 360.438 3.188 20 5 FGBDLN COc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000775294835 723978387 /nfs/dbraw/zinc/97/83/87/723978387.db2.gz HCJDKBUCMSAHNS-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1C(F)(F)F ZINC000799649469 724075733 /nfs/dbraw/zinc/07/57/33/724075733.db2.gz BRTCRVXJLBJDAD-UHFFFAOYSA-N 0 2 373.359 3.241 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)C=Cc3ccccc3F)c2c1 ZINC000800040679 724133753 /nfs/dbraw/zinc/13/37/53/724133753.db2.gz DTLSQYSJRHOPQB-FPLPWBNLSA-N 0 2 362.342 3.023 20 5 FGBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000866282908 733332165 /nfs/dbraw/zinc/33/21/65/733332165.db2.gz PODCKPZRTVVOHG-CYBMUJFWSA-N 0 2 367.274 3.180 20 5 FGBDLN O=C([O-])[C@@H]1CSCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901891003 743668266 /nfs/dbraw/zinc/66/82/66/743668266.db2.gz PNKNVWDUWNQTDP-VIFPVBQESA-N 0 2 365.238 3.151 20 5 FGBDLN O=C([O-])[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901891003 743668269 /nfs/dbraw/zinc/66/82/69/743668269.db2.gz PNKNVWDUWNQTDP-VIFPVBQESA-N 0 2 365.238 3.151 20 5 FGBDLN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1OC ZINC000568060774 505606117 /nfs/dbraw/zinc/60/61/17/505606117.db2.gz NXQQKAQJMZKWLO-JSGCOSHPSA-N 0 2 366.414 3.077 20 5 FGBDLN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1OC ZINC000568060774 505606120 /nfs/dbraw/zinc/60/61/20/505606120.db2.gz NXQQKAQJMZKWLO-JSGCOSHPSA-N 0 2 366.414 3.077 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000032143697 493975951 /nfs/dbraw/zinc/97/59/51/493975951.db2.gz GHPSYRCSPINEBP-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)ccc1[N+](=O)[O-] ZINC000580216855 505706517 /nfs/dbraw/zinc/70/65/17/505706517.db2.gz JRFYATROTXVVLJ-UHFFFAOYSA-N 0 2 371.440 3.293 20 5 FGBDLN CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000014097610 494303170 /nfs/dbraw/zinc/30/31/70/494303170.db2.gz HVPBLWCQFIRICA-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN COc1ccc2cc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2c1 ZINC000073310658 494356008 /nfs/dbraw/zinc/35/60/08/494356008.db2.gz WZIBUGBFJBTUEM-UHFFFAOYSA-N 0 2 352.346 3.392 20 5 FGBDLN O=C(NCCCSc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018022892 494421398 /nfs/dbraw/zinc/42/13/98/494421398.db2.gz FLFVZSUIJDDULW-UHFFFAOYSA-N 0 2 350.371 3.352 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2cnn(C(C)C)c2n1 ZINC000092546366 494664474 /nfs/dbraw/zinc/66/44/74/494664474.db2.gz XMVXBINHZOQGAT-UHFFFAOYSA-N 0 2 355.354 3.187 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000092546708 494664625 /nfs/dbraw/zinc/66/46/25/494664625.db2.gz RUGIFQJTWXQTTP-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000121603185 494817629 /nfs/dbraw/zinc/81/76/29/494817629.db2.gz NPLKLKIUYMAVJN-LBPRGKRZSA-N 0 2 362.769 3.247 20 5 FGBDLN O=C(NCc1cc(F)cc(Br)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132334774 494859174 /nfs/dbraw/zinc/85/91/74/494859174.db2.gz XAIGLBCLGGNWFU-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN CN(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000109424262 494872296 /nfs/dbraw/zinc/87/22/96/494872296.db2.gz GFNHHJKRCAJPAU-UHFFFAOYSA-N 0 2 355.803 3.115 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)cc2cccnc21 ZINC000132792984 494925584 /nfs/dbraw/zinc/92/55/84/494925584.db2.gz QKFNDSSLHMVXAG-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129838135 495303190 /nfs/dbraw/zinc/30/31/90/495303190.db2.gz RHFUVNAPSZSTRG-BXKDBHETSA-N 0 2 350.733 3.379 20 5 FGBDLN CC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131233188 495509808 /nfs/dbraw/zinc/50/98/08/495509808.db2.gz PKJJBRAGHRQUMO-UHFFFAOYSA-N 0 2 354.771 3.252 20 5 FGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCCc2cc(OC(F)F)ccc21 ZINC000185433395 495575352 /nfs/dbraw/zinc/57/53/52/495575352.db2.gz LZYYJWMYAJIDIS-UHFFFAOYSA-N 0 2 364.304 3.495 20 5 FGBDLN CC(C)Oc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)ccn1 ZINC000185546949 495616602 /nfs/dbraw/zinc/61/66/02/495616602.db2.gz FEYWAOWWOOJSIT-UHFFFAOYSA-N 0 2 371.393 3.287 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000173632254 495623423 /nfs/dbraw/zinc/62/34/23/495623423.db2.gz NDTVDFVAFCPOCS-INIZCTEOSA-N 0 2 355.394 3.041 20 5 FGBDLN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000185584050 495632511 /nfs/dbraw/zinc/63/25/11/495632511.db2.gz KCDNEXRMWWSGKO-CXAGYDPISA-N 0 2 356.378 3.198 20 5 FGBDLN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cc([N+](=O)[O-])ccc1O)CCC2 ZINC000179547030 495635348 /nfs/dbraw/zinc/63/53/48/495635348.db2.gz WKBABROOBUWADX-ZDUSSCGKSA-N 0 2 361.423 3.469 20 5 FGBDLN CCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ncccc12 ZINC000185682757 495678100 /nfs/dbraw/zinc/67/81/00/495678100.db2.gz BYNVRIRTTHICEJ-UHFFFAOYSA-N 0 2 353.334 3.500 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)cc1C ZINC000171014013 495689694 /nfs/dbraw/zinc/68/96/94/495689694.db2.gz LRGNHCCMUOZJMA-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000176598830 495714010 /nfs/dbraw/zinc/71/40/10/495714010.db2.gz WNZHFTZTRCXJLY-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)c(F)c(O)c1F ZINC000186020139 495823955 /nfs/dbraw/zinc/82/39/55/495823955.db2.gz WPWOKTQQRZPMKC-UHFFFAOYSA-N 0 2 360.675 3.301 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(CC2CC2)c2ccccc21 ZINC000180108319 495861296 /nfs/dbraw/zinc/86/12/96/495861296.db2.gz RPTJGPDXCZCOMV-UHFFFAOYSA-N 0 2 353.378 3.177 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 ZINC000180131429 495871461 /nfs/dbraw/zinc/87/14/61/495871461.db2.gz CASZXUBIXORBHH-GFCCVEGCSA-N 0 2 360.391 3.240 20 5 FGBDLN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000180174738 495892425 /nfs/dbraw/zinc/89/24/25/495892425.db2.gz CHKRQBJCWHBBKE-ZDUSSCGKSA-N 0 2 361.423 3.469 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000152180321 496073089 /nfs/dbraw/zinc/07/30/89/496073089.db2.gz DXYIEYYGWCJIHY-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN O=C(Cc1cc(F)ccc1Br)Nc1cc([N+](=O)[O-])ccc1O ZINC000180768213 496138339 /nfs/dbraw/zinc/13/83/39/496138339.db2.gz JPAGBINSSFICIC-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183911758 496158063 /nfs/dbraw/zinc/15/80/63/496158063.db2.gz SDQCPMIVQMUMRC-UHFFFAOYSA-N 0 2 368.349 3.312 20 5 FGBDLN COc1cc(F)ccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000161555326 496196614 /nfs/dbraw/zinc/19/66/14/496196614.db2.gz HKJYPTVJYDZMTE-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1F ZINC000187069792 496279246 /nfs/dbraw/zinc/27/92/46/496279246.db2.gz YCAKDZOSDPXLKY-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000156690168 496312426 /nfs/dbraw/zinc/31/24/26/496312426.db2.gz VYRNVGDZXPOPQF-UHFFFAOYSA-N 0 2 360.276 3.221 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C)c1 ZINC000163094405 496462736 /nfs/dbraw/zinc/46/27/36/496462736.db2.gz YYNSXPASUUHZMO-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C ZINC000172905182 496485086 /nfs/dbraw/zinc/48/50/86/496485086.db2.gz LMPHXYAHZWHHFS-UHFFFAOYSA-N 0 2 372.834 3.191 20 5 FGBDLN O=C(c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157512240 496492303 /nfs/dbraw/zinc/49/23/03/496492303.db2.gz KBZMINLPZUPKIJ-UHFFFAOYSA-N 0 2 354.362 3.036 20 5 FGBDLN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158193957 496647231 /nfs/dbraw/zinc/64/72/31/496647231.db2.gz CIIVURGRJMTOLT-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189814949 497253808 /nfs/dbraw/zinc/25/38/08/497253808.db2.gz HSWJANYKCFEIFH-UHFFFAOYSA-N 0 2 354.362 3.009 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)c1 ZINC000194652558 497731192 /nfs/dbraw/zinc/73/11/92/497731192.db2.gz XFTQSOJDFTVGSD-UHFFFAOYSA-N 0 2 355.375 3.458 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2ccccn2)cn1 ZINC000362096909 498464457 /nfs/dbraw/zinc/46/44/57/498464457.db2.gz HANQVVRYTUVULE-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000290429297 498549270 /nfs/dbraw/zinc/54/92/70/498549270.db2.gz ALSIHFFZVMUXJY-UHFFFAOYSA-N 0 2 360.395 3.088 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000298034288 498644945 /nfs/dbraw/zinc/64/49/45/498644945.db2.gz DWGAZTCFTIQEAT-WFASDCNBSA-N 0 2 362.407 3.090 20 5 FGBDLN COc1cncc(S(=O)(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000570065374 506082575 /nfs/dbraw/zinc/08/25/75/506082575.db2.gz XSEBRANALWRSIN-UHFFFAOYSA-N 0 2 365.411 3.097 20 5 FGBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000295239411 498951856 /nfs/dbraw/zinc/95/18/56/498951856.db2.gz URYIJJIXLCVOII-LBPRGKRZSA-N 0 2 366.370 3.039 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000291969249 499113390 /nfs/dbraw/zinc/11/33/90/499113390.db2.gz VZPXLFGVCOHMPY-ZDUSSCGKSA-N 0 2 372.381 3.318 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC2(CCOCC2)c2ccccc21 ZINC000376011197 499575997 /nfs/dbraw/zinc/57/59/97/499575997.db2.gz WILSBYMRPKTMQC-UHFFFAOYSA-N 0 2 354.362 3.009 20 5 FGBDLN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000376052177 499579102 /nfs/dbraw/zinc/57/91/02/499579102.db2.gz AZCFUZLOPURTMG-LLVKDONJSA-N 0 2 361.423 3.257 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000410401774 499660520 /nfs/dbraw/zinc/66/05/20/499660520.db2.gz HBQMMQBWVNMQRB-UHFFFAOYSA-N 0 2 358.322 3.073 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(CC)c1 ZINC000410407918 499660683 /nfs/dbraw/zinc/66/06/83/499660683.db2.gz ZMKRJGGKBOVQRJ-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000579418317 506168623 /nfs/dbraw/zinc/16/86/23/506168623.db2.gz BYJQTHIWRTZQEG-UHFFFAOYSA-N 0 2 366.443 3.352 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1[N+](=O)[O-] ZINC000427763633 500429348 /nfs/dbraw/zinc/42/93/48/500429348.db2.gz KENVMDIIHZHUNB-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C1CC1 ZINC000442235276 500574031 /nfs/dbraw/zinc/57/40/31/500574031.db2.gz HXVHQEPUGPAZMP-LLVKDONJSA-N 0 2 364.427 3.441 20 5 FGBDLN O=C(NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436958354 500579116 /nfs/dbraw/zinc/57/91/16/500579116.db2.gz GYWVJKHFLSLPDH-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)c1 ZINC000442357813 500582769 /nfs/dbraw/zinc/58/27/69/500582769.db2.gz ZWKPYYPSSDDFQM-UHFFFAOYSA-N 0 2 366.370 3.324 20 5 FGBDLN COc1ccc(-c2nnc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)s2)cc1 ZINC000436973131 500583931 /nfs/dbraw/zinc/58/39/31/500583931.db2.gz RQZRILAACBZHHH-UHFFFAOYSA-N 0 2 372.362 3.080 20 5 FGBDLN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000442963032 500654084 /nfs/dbraw/zinc/65/40/84/500654084.db2.gz DGADYQPGSBMXJL-NQCMUKECSA-N 0 2 360.410 3.110 20 5 FGBDLN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(CC)CC ZINC000434346959 500829294 /nfs/dbraw/zinc/82/92/94/500829294.db2.gz PUEHQSQXKNNSKT-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1n[nH]c2c1cccc2Cl ZINC000434977431 500918098 /nfs/dbraw/zinc/91/80/98/500918098.db2.gz QICXZXXUKJUFAS-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCC4)nc3)no2)cc1O ZINC000445205025 500954210 /nfs/dbraw/zinc/95/42/10/500954210.db2.gz SWYPUYJNXUDLOT-UHFFFAOYSA-N 0 2 353.338 3.013 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C ZINC000435729999 501019293 /nfs/dbraw/zinc/01/92/93/501019293.db2.gz CNMDKWUWTZMFDA-UHFFFAOYSA-N 0 2 356.425 3.391 20 5 FGBDLN O=C(NCCc1ccc(Br)s1)c1cc([N+](=O)[O-])ccc1O ZINC000436670084 501184250 /nfs/dbraw/zinc/18/42/50/501184250.db2.gz PIRYZPLDPCUXGB-UHFFFAOYSA-N 0 2 371.212 3.097 20 5 FGBDLN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000436820621 501216422 /nfs/dbraw/zinc/21/64/22/501216422.db2.gz HUOLAPAYVHWIQY-CQSZACIVSA-N 0 2 350.758 3.071 20 5 FGBDLN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436893052 501228608 /nfs/dbraw/zinc/22/86/08/501228608.db2.gz MESRQVJGCAADCY-UHFFFAOYSA-N 0 2 360.366 3.028 20 5 FGBDLN CCCn1ncc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C1CC1 ZINC000451092607 501244988 /nfs/dbraw/zinc/24/49/88/501244988.db2.gz MFMIEUCWHMILGI-UHFFFAOYSA-N 0 2 364.427 3.188 20 5 FGBDLN COc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000451098125 501245460 /nfs/dbraw/zinc/24/54/60/501245460.db2.gz VNKKQZPFDNLWGD-UHFFFAOYSA-N 0 2 365.411 3.225 20 5 FGBDLN COc1cc(C)ccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000481607726 501829955 /nfs/dbraw/zinc/82/99/55/501829955.db2.gz DAYIPUHKVNEHGB-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)c(Br)c2)[nH]1 ZINC000486026276 502022685 /nfs/dbraw/zinc/02/26/85/502022685.db2.gz DFHUROHWEZPDOY-RQOWECAXSA-N 0 2 372.562 3.382 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2OCCC3)c1C ZINC000464542849 502023188 /nfs/dbraw/zinc/02/31/88/502023188.db2.gz BIVORCAOSHXWAG-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCC(C)C ZINC000486028969 502024180 /nfs/dbraw/zinc/02/41/80/502024180.db2.gz SCQQTIGAACMKCZ-GQCTYLIASA-N 0 2 361.354 3.010 20 5 FGBDLN CCCc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000486121303 502053901 /nfs/dbraw/zinc/05/39/01/502053901.db2.gz AEFDEJAKDDLZDP-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnc(CC(C)C)nc1 ZINC000475828812 502303598 /nfs/dbraw/zinc/30/35/98/502303598.db2.gz GPKQHHIVQYLPPU-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000479762265 502369867 /nfs/dbraw/zinc/36/98/67/502369867.db2.gz AZDUPKTZQIGBDO-UHFFFAOYSA-N 0 2 363.255 3.050 20 5 FGBDLN COc1ccc(C[C@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC000483433802 502391277 /nfs/dbraw/zinc/39/12/77/502391277.db2.gz BQPMGVIKLHHVKH-NSHDSACASA-N 0 2 360.366 3.135 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1csc(-c2ncccc2F)n1 ZINC000483441329 502393670 /nfs/dbraw/zinc/39/36/70/502393670.db2.gz QFWWJGNRVKNSMI-UHFFFAOYSA-N 0 2 360.326 3.210 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 ZINC000483665259 502456757 /nfs/dbraw/zinc/45/67/57/502456757.db2.gz GOQHNNSMJZPCJE-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000480216689 502504379 /nfs/dbraw/zinc/50/43/79/502504379.db2.gz KXDJFVKXRDFNII-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(SC)c1 ZINC000509218177 502852040 /nfs/dbraw/zinc/85/20/40/502852040.db2.gz NZFDTHVMEOUBHQ-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509219880 502852987 /nfs/dbraw/zinc/85/29/87/502852987.db2.gz VCKFTNIQBLJSPN-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000498637086 503230051 /nfs/dbraw/zinc/23/00/51/503230051.db2.gz XEOSZWLYKOQQST-UHFFFAOYSA-N 0 2 372.377 3.358 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1F ZINC000507622864 503335008 /nfs/dbraw/zinc/33/50/08/503335008.db2.gz VQHVLVMHOGDOSP-UHFFFAOYSA-N 0 2 366.370 3.354 20 5 FGBDLN CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000515652280 503380126 /nfs/dbraw/zinc/38/01/26/503380126.db2.gz ILBFJDKFHLEPCX-UHFFFAOYSA-N 0 2 371.802 3.231 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000493000939 503399631 /nfs/dbraw/zinc/39/96/31/503399631.db2.gz BQZXUUDYEQHADQ-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN CC(C)OCCOCc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000508532975 503515136 /nfs/dbraw/zinc/51/51/36/503515136.db2.gz HMQGXNURZJFFOE-UHFFFAOYSA-N 0 2 374.393 3.494 20 5 FGBDLN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508708905 503548688 /nfs/dbraw/zinc/54/86/88/503548688.db2.gz GKUMFYBUSNNEMP-INIZCTEOSA-N 0 2 368.349 3.281 20 5 FGBDLN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508708905 503548693 /nfs/dbraw/zinc/54/86/93/503548693.db2.gz GKUMFYBUSNNEMP-INIZCTEOSA-N 0 2 368.349 3.281 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000517002680 503641709 /nfs/dbraw/zinc/64/17/09/503641709.db2.gz XJJPNMADEJGYDI-UHFFFAOYSA-N 0 2 360.313 3.375 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc(C)cc(F)c2)c([N+](=O)[O-])c1 ZINC000537395301 503899794 /nfs/dbraw/zinc/89/97/94/503899794.db2.gz YNTGNXBJLWPMCX-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000544620690 504194067 /nfs/dbraw/zinc/19/40/67/504194067.db2.gz WDCZUVXNZZPPIT-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1C ZINC000544629627 504197087 /nfs/dbraw/zinc/19/70/87/504197087.db2.gz BFXHTSIAYLJHCO-LLVKDONJSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccnc2OC(C)C)c1 ZINC000544640211 504200575 /nfs/dbraw/zinc/20/05/75/504200575.db2.gz RYMSUCVOYQOMFS-UHFFFAOYSA-N 0 2 365.411 3.195 20 5 FGBDLN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000538316157 504202969 /nfs/dbraw/zinc/20/29/69/504202969.db2.gz VWAWFFOPFOPHRA-GFCCVEGCSA-N 0 2 371.393 3.215 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2CNC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000538387284 504229000 /nfs/dbraw/zinc/22/90/00/504229000.db2.gz IXQKHDIGNKSGFU-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)cc1C ZINC000534908260 504276920 /nfs/dbraw/zinc/27/69/20/504276920.db2.gz YTEMMKCJTVPEQN-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]nc1-c1ccccc1 ZINC000535514470 504456377 /nfs/dbraw/zinc/45/63/77/504456377.db2.gz XZZAAVKIFHXROR-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000545485655 504504087 /nfs/dbraw/zinc/50/40/87/504504087.db2.gz QICJJNSPPSIWDY-UHFFFAOYSA-N 0 2 366.312 3.253 20 5 FGBDLN CC(C)[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000539381926 504548876 /nfs/dbraw/zinc/54/88/76/504548876.db2.gz XBJNEZOTMHTBAJ-OAHLLOKOSA-N 0 2 354.366 3.304 20 5 FGBDLN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000536101654 504633898 /nfs/dbraw/zinc/63/38/98/504633898.db2.gz ACRIWBYBIZSNPA-UHFFFAOYSA-N 0 2 352.293 3.174 20 5 FGBDLN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000536103978 504635439 /nfs/dbraw/zinc/63/54/39/504635439.db2.gz XLIRUOKLNHBIGK-NSHDSACASA-N 0 2 354.366 3.161 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000554735763 505252179 /nfs/dbraw/zinc/25/21/79/505252179.db2.gz NTBBSCNWIDYPQN-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000552255500 505442364 /nfs/dbraw/zinc/44/23/64/505442364.db2.gz JACWFJZZHFCTBO-JTQLQIEISA-N 0 2 365.411 3.127 20 5 FGBDLN O=[N+]([O-])c1ccc(CCCCN=c2[nH]nc(C3CCOCC3)s2)cc1 ZINC000558921491 505530493 /nfs/dbraw/zinc/53/04/93/505530493.db2.gz FKOCRWQRLQGISJ-UHFFFAOYSA-N 0 2 362.455 3.197 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000564973227 505564634 /nfs/dbraw/zinc/56/46/34/505564634.db2.gz WMBUYJPKWZBPLW-UHFFFAOYSA-N 0 2 370.456 3.107 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000588949734 506392345 /nfs/dbraw/zinc/39/23/45/506392345.db2.gz RXWLUZAYRMAIKH-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000589558112 506585472 /nfs/dbraw/zinc/58/54/72/506585472.db2.gz ZEKRQECQDYZOOV-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccc(Br)cc1 ZINC000603921267 506658379 /nfs/dbraw/zinc/65/83/79/506658379.db2.gz OCVPQJJHUIQVKU-UHFFFAOYSA-N 0 2 360.167 3.498 20 5 FGBDLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000603977117 506678497 /nfs/dbraw/zinc/67/84/97/506678497.db2.gz MTRVGLSSOCXYSO-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608927797 506744064 /nfs/dbraw/zinc/74/40/64/506744064.db2.gz PACDPTRVTYEZNK-LBPRGKRZSA-N 0 2 352.416 3.199 20 5 FGBDLN Cc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000608954796 506751010 /nfs/dbraw/zinc/75/10/10/506751010.db2.gz JCFJPUHGRZBXOO-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000609027321 506765356 /nfs/dbraw/zinc/76/53/56/506765356.db2.gz JERBOLWQCSIBBP-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN CCOCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCc2ccccc21 ZINC000600444865 506957523 /nfs/dbraw/zinc/95/75/23/506957523.db2.gz LBCFWBPYYWEIKC-KRWDZBQOSA-N 0 2 370.405 3.467 20 5 FGBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000597603171 507024951 /nfs/dbraw/zinc/02/49/51/507024951.db2.gz ADEUTMPYIDYJFW-WNOSKKOXSA-N 0 2 362.426 3.092 20 5 FGBDLN CCCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000600664611 507054347 /nfs/dbraw/zinc/05/43/47/507054347.db2.gz DISOAXHGTXMNAG-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN O=C([O-])c1cnc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)s1 ZINC000600673966 507058807 /nfs/dbraw/zinc/05/88/07/507058807.db2.gz CBODFKHLNKLHKL-UHFFFAOYSA-N 0 2 353.425 3.191 20 5 FGBDLN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000594694701 507241236 /nfs/dbraw/zinc/24/12/36/507241236.db2.gz BYFWIYHBHWVQAJ-LLVKDONJSA-N 0 2 366.395 3.279 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)CCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000594720301 507252790 /nfs/dbraw/zinc/25/27/90/507252790.db2.gz JAJFODJKEZRLRQ-UHFFFAOYSA-N 0 2 368.386 3.117 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(CCc3ccccc3O2)CC1 ZINC000598400433 507411250 /nfs/dbraw/zinc/41/12/50/507411250.db2.gz VGNXXPFPFUWQGN-UHFFFAOYSA-N 0 2 368.389 3.300 20 5 FGBDLN COc1cc(F)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(F)c1 ZINC000611343866 507630829 /nfs/dbraw/zinc/63/08/29/507630829.db2.gz ASAIKWKAJSLZQF-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c(O)cc(F)cc1F ZINC000611506693 507712255 /nfs/dbraw/zinc/71/22/55/507712255.db2.gz YKBRKXZPYCHCSN-UHFFFAOYSA-N 0 2 356.712 3.205 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611535417 507726265 /nfs/dbraw/zinc/72/62/65/507726265.db2.gz QIFUWIPYHUSBFU-DTORHVGOSA-N 0 2 372.221 3.113 20 5 FGBDLN CC(C)c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1[N+](=O)[O-] ZINC000615193564 507774331 /nfs/dbraw/zinc/77/43/31/507774331.db2.gz SDCJHRMKLLSDEL-UHFFFAOYSA-N 0 2 368.349 3.314 20 5 FGBDLN O=C([O-])c1cc([N+](=O)[O-])c(NCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000833307516 604264741 /nfs/dbraw/zinc/26/47/41/604264741.db2.gz PNQZMDJCACRZJH-UHFFFAOYSA-N 0 2 350.762 3.091 20 5 FGBDLN Cc1ccc2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2c1 ZINC000119964007 700644141 /nfs/dbraw/zinc/64/41/41/700644141.db2.gz JWHRSGXVWJSRCF-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000182950350 705870179 /nfs/dbraw/zinc/87/01/79/705870179.db2.gz LLIUWWLOFXNENN-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1C ZINC000193809106 713500039 /nfs/dbraw/zinc/50/00/39/713500039.db2.gz DLFUFLXWAOMZFK-UHFFFAOYSA-N 0 2 367.452 3.348 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1SC ZINC000619466302 714839731 /nfs/dbraw/zinc/83/97/31/714839731.db2.gz KRDPGJNRQHDIMN-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000780502365 724472894 /nfs/dbraw/zinc/47/28/94/724472894.db2.gz UATNBBSDWWUWNN-MRVPVSSYSA-N 0 2 360.757 3.321 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cnn1CC(C)C ZINC000766333024 723568972 /nfs/dbraw/zinc/56/89/72/723568972.db2.gz TVKPYLQLJRGJNO-UHFFFAOYSA-N 0 2 370.406 3.004 20 5 FGBDLN CC[C@](O)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000800525050 724208499 /nfs/dbraw/zinc/20/84/99/724208499.db2.gz QZUCMZXLHSJIAF-MRXNPFEDSA-N 0 2 350.758 3.190 20 5 FGBDLN O=C([O-])[C@H]1CSCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901891002 743668115 /nfs/dbraw/zinc/66/81/15/743668115.db2.gz PNKNVWDUWNQTDP-SECBINFHSA-N 0 2 365.238 3.151 20 5 FGBDLN O=C([O-])[C@H]1CSCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000901891002 743668120 /nfs/dbraw/zinc/66/81/20/743668120.db2.gz PNKNVWDUWNQTDP-SECBINFHSA-N 0 2 365.238 3.151 20 5 FGBDLN O=C(COc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000059354252 493905339 /nfs/dbraw/zinc/90/53/39/493905339.db2.gz UKJATCLOKFBQNB-UHFFFAOYSA-N 0 2 367.155 3.080 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1C ZINC000060442622 493933814 /nfs/dbraw/zinc/93/38/14/493933814.db2.gz GGBZMWOWSLHJPB-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070904849 494068022 /nfs/dbraw/zinc/06/80/22/494068022.db2.gz WEHOJZCZHRCZSS-UHFFFAOYSA-N 0 2 350.758 3.235 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c2n[nH]cc21 ZINC000063635461 494072692 /nfs/dbraw/zinc/07/26/92/494072692.db2.gz GYASFHAQKRNWBB-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)ccc1Br ZINC000089531239 494321563 /nfs/dbraw/zinc/32/15/63/494321563.db2.gz IDHSIKIIVAHAAW-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccccc1C ZINC000089531443 494321682 /nfs/dbraw/zinc/32/16/82/494321682.db2.gz GERFSINZOOQZCA-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000079138685 494409084 /nfs/dbraw/zinc/40/90/84/494409084.db2.gz ZQZMNNJPQHFCCT-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000045939475 494477426 /nfs/dbraw/zinc/47/74/26/494477426.db2.gz YHUZTOLYSBFHMH-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])c1 ZINC000025165074 494704946 /nfs/dbraw/zinc/70/49/46/494704946.db2.gz WAGIPOYVXCXBTA-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CC(C)(C)Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000126757740 494832735 /nfs/dbraw/zinc/83/27/35/494832735.db2.gz GHDYWBVCFHBSIK-UHFFFAOYSA-N 0 2 372.834 3.361 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)c(Cl)c1 ZINC000132818995 494928730 /nfs/dbraw/zinc/92/87/30/494928730.db2.gz ITXULSMBZJUCGK-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN CCSCc1ccnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000123727380 495176850 /nfs/dbraw/zinc/17/68/50/495176850.db2.gz KVUYZAVFUGUDSU-UHFFFAOYSA-N 0 2 367.452 3.352 20 5 FGBDLN Cc1nc2cc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2o1 ZINC000129676822 495279904 /nfs/dbraw/zinc/27/99/04/495279904.db2.gz CECZIZNSZRTFPB-UHFFFAOYSA-N 0 2 367.770 3.499 20 5 FGBDLN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)n1 ZINC000120874405 495475384 /nfs/dbraw/zinc/47/53/84/495475384.db2.gz MXBYLICBGACFRK-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000158675152 495564580 /nfs/dbraw/zinc/56/45/80/495564580.db2.gz XSYSFQMKONVZQI-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1ccc(COCc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000571744937 505804420 /nfs/dbraw/zinc/80/44/20/505804420.db2.gz NGFJMVFLOWCVRT-UHFFFAOYSA-N 0 2 357.322 3.076 20 5 FGBDLN Cc1ccc(OC(F)F)c(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000155040119 495813266 /nfs/dbraw/zinc/81/32/66/495813266.db2.gz PRWLDWSFLURGNV-UHFFFAOYSA-N 0 2 352.293 3.140 20 5 FGBDLN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000160057402 495874158 /nfs/dbraw/zinc/87/41/58/495874158.db2.gz MWOBXKLWCIBSDW-UHFFFAOYSA-N 0 2 357.366 3.081 20 5 FGBDLN O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160303184 495930441 /nfs/dbraw/zinc/93/04/41/495930441.db2.gz BRRDXFXMIIJDOW-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c(Cl)cc1F ZINC000180756792 496134250 /nfs/dbraw/zinc/13/42/50/496134250.db2.gz TZZLMSLMDHXRBK-UHFFFAOYSA-N 0 2 359.766 3.200 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[nH]n1 ZINC000162938721 496437591 /nfs/dbraw/zinc/43/75/91/496437591.db2.gz MLYPGKDOJAYJNJ-JTQLQIEISA-N 0 2 368.415 3.031 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000157803419 496558672 /nfs/dbraw/zinc/55/86/72/496558672.db2.gz FWGMHODGJOINNB-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCN(c2ccccc2)C1 ZINC000157935500 496589606 /nfs/dbraw/zinc/58/96/06/496589606.db2.gz WUOCRUWVRDAUHB-INIZCTEOSA-N 0 2 355.394 3.041 20 5 FGBDLN Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1F ZINC000184967647 496604106 /nfs/dbraw/zinc/60/41/06/496604106.db2.gz WFIZFZKQQKKYRC-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000182092353 496667264 /nfs/dbraw/zinc/66/72/64/496667264.db2.gz FGCNTPDRIHAZPE-GDBMZVCRSA-N 0 2 360.410 3.445 20 5 FGBDLN COCCc1ccccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189352151 497091358 /nfs/dbraw/zinc/09/13/58/497091358.db2.gz QAIUMOUAMPNNKC-UHFFFAOYSA-N 0 2 364.423 3.201 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000278454310 497121291 /nfs/dbraw/zinc/12/12/91/497121291.db2.gz YNXVHUIBLZPGEB-UHFFFAOYSA-N 0 2 357.388 3.259 20 5 FGBDLN COc1ccccc1-n1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000192585306 497157147 /nfs/dbraw/zinc/15/71/47/497157147.db2.gz PHQCIUMUAKKUOU-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(OCc2ccccc2)CC1 ZINC000280831807 497914360 /nfs/dbraw/zinc/91/43/60/497914360.db2.gz SYGWKCNUOJPBHA-UHFFFAOYSA-N 0 2 356.378 3.122 20 5 FGBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000281134979 498031835 /nfs/dbraw/zinc/03/18/35/498031835.db2.gz YTFQEEOPTHHDCL-CYBMUJFWSA-N 0 2 355.394 3.392 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccn3)cn2)cc1[N+](=O)[O-] ZINC000362100831 498463992 /nfs/dbraw/zinc/46/39/92/498463992.db2.gz ZWMFGDRLMCLJMT-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN C[C@H]1CCc2nc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000332287938 498634700 /nfs/dbraw/zinc/63/47/00/498634700.db2.gz IVOVHUDLIQFKHR-JTQLQIEISA-N 0 2 367.452 3.118 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000283066501 498766998 /nfs/dbraw/zinc/76/69/98/498766998.db2.gz JTWGLKHATQOIPK-CYBMUJFWSA-N 0 2 358.316 3.495 20 5 FGBDLN CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000324852556 498831567 /nfs/dbraw/zinc/83/15/67/498831567.db2.gz KTGUMZDPKZLVTE-UHFFFAOYSA-N 0 2 350.396 3.399 20 5 FGBDLN COc1ccc(O)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000326080300 498841020 /nfs/dbraw/zinc/84/10/20/498841020.db2.gz KIPCOLHODCHDEP-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN COc1ccccc1NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371556023 499341610 /nfs/dbraw/zinc/34/16/10/499341610.db2.gz ZGLCXDSPFDRSEF-UHFFFAOYSA-N 0 2 371.393 3.026 20 5 FGBDLN COc1ccc(C2=CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000375613165 499537998 /nfs/dbraw/zinc/53/79/98/499537998.db2.gz QUANJDAGZXHHJX-UHFFFAOYSA-N 0 2 354.362 3.239 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000376828160 499638212 /nfs/dbraw/zinc/63/82/12/499638212.db2.gz NDIGPBLXYQHGGV-GFCCVEGCSA-N 0 2 368.798 3.229 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nn1C(C)C ZINC000421172519 499982939 /nfs/dbraw/zinc/98/29/39/499982939.db2.gz JOIQQJPMCUZIKU-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1C ZINC000427770871 500430368 /nfs/dbraw/zinc/43/03/68/500430368.db2.gz MGORESCDHAEBJA-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428599323 500531378 /nfs/dbraw/zinc/53/13/78/500531378.db2.gz NFVCPAMXECTOKI-OAHLLOKOSA-N 0 2 364.785 3.414 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1Cl ZINC000432649752 500543582 /nfs/dbraw/zinc/54/35/82/500543582.db2.gz UUTKGUASDNUMRQ-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436938746 500575024 /nfs/dbraw/zinc/57/50/24/500575024.db2.gz MMADQVOLVFHKCA-SUMWQHHRSA-N 0 2 360.341 3.090 20 5 FGBDLN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000436949419 500576691 /nfs/dbraw/zinc/57/66/91/500576691.db2.gz LZDKKXHTDNGTTF-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000436954539 500578675 /nfs/dbraw/zinc/57/86/75/500578675.db2.gz WUERHTYOFMTYAR-LBPRGKRZSA-N 0 2 371.393 3.389 20 5 FGBDLN COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436999409 500590670 /nfs/dbraw/zinc/59/06/70/500590670.db2.gz LJGNWQVXVYICSZ-HNNXBMFYSA-N 0 2 358.394 3.068 20 5 FGBDLN CC(C)Cn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000450539681 501149022 /nfs/dbraw/zinc/14/90/22/501149022.db2.gz KUARYCBIFKSHAA-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]2C ZINC000436716062 501195405 /nfs/dbraw/zinc/19/54/05/501195405.db2.gz RQOKHECLBXEVPV-NWDGAFQWSA-N 0 2 356.378 3.457 20 5 FGBDLN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1OC ZINC000436736344 501200977 /nfs/dbraw/zinc/20/09/77/501200977.db2.gz GMMXPGDPQFHEEL-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436869094 501224370 /nfs/dbraw/zinc/22/43/70/501224370.db2.gz LDUMSSBTTVAPAR-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(C)C ZINC000436873723 501225607 /nfs/dbraw/zinc/22/56/07/501225607.db2.gz SNYVNOKTQJTZOF-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc([N+](=O)[O-])cc1O ZINC000436904749 501230303 /nfs/dbraw/zinc/23/03/03/501230303.db2.gz ZTJURLPTOFHEIU-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN Cc1cc(C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)ccc1[N+](=O)[O-] ZINC000436913951 501231794 /nfs/dbraw/zinc/23/17/94/501231794.db2.gz HYSKPDNXJNCZRA-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CCCC2)n[nH]1 ZINC000474421657 501830327 /nfs/dbraw/zinc/83/03/27/501830327.db2.gz OGCMINAWERUQQP-UHFFFAOYSA-N 0 2 364.427 3.339 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000478196674 501906005 /nfs/dbraw/zinc/90/60/05/501906005.db2.gz KEDRJSVRMFMZRT-QWHCGFSZSA-N 0 2 364.304 3.188 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481964250 501930321 /nfs/dbraw/zinc/93/03/21/501930321.db2.gz DBTPTMSJBCVKPB-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(F)c1OC ZINC000471130996 501930596 /nfs/dbraw/zinc/93/05/96/501930596.db2.gz MSZSNDIUIPMHKD-UHFFFAOYSA-N 0 2 372.349 3.245 20 5 FGBDLN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000592882464 506291548 /nfs/dbraw/zinc/29/15/48/506291548.db2.gz YEWLVQUKZAFKES-DIFFPNOSSA-N 0 2 360.341 3.042 20 5 FGBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000469654220 502492444 /nfs/dbraw/zinc/49/24/44/502492444.db2.gz DZILHXIBCSMUIQ-OAHLLOKOSA-N 0 2 355.394 3.041 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480198317 502499442 /nfs/dbraw/zinc/49/94/42/502499442.db2.gz PALSFNREEBAEQP-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN COc1ccccc1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)C ZINC000477285043 502729295 /nfs/dbraw/zinc/72/92/95/502729295.db2.gz JCRLZTLHTMKOHP-OAHLLOKOSA-N 0 2 358.394 3.306 20 5 FGBDLN COc1c(C)ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000466958939 502739509 /nfs/dbraw/zinc/73/95/09/502739509.db2.gz ZSNISDNSCDKDBG-UHFFFAOYSA-N 0 2 356.425 3.391 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000509382914 502888602 /nfs/dbraw/zinc/88/86/02/502888602.db2.gz GEMBAIUCKBXJOD-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000509593436 502943444 /nfs/dbraw/zinc/94/34/44/502943444.db2.gz CWHOFUKSWYSXAP-UHFFFAOYSA-N 0 2 368.798 3.374 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc(Sc3n[nH]c(=O)[nH]3)c([N+](=O)[O-])c2)cc1 ZINC000509856529 502998989 /nfs/dbraw/zinc/99/89/89/502998989.db2.gz WEFSVHOUCBEABE-UHFFFAOYSA-N 0 2 371.378 3.130 20 5 FGBDLN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506804540 503175806 /nfs/dbraw/zinc/17/58/06/503175806.db2.gz CAPQACORXDMJLU-KSSFIOAISA-N 0 2 356.378 3.198 20 5 FGBDLN CCn1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C1CC1 ZINC000491594594 503322420 /nfs/dbraw/zinc/32/24/20/503322420.db2.gz RPIOTJGYNOXLFS-UHFFFAOYSA-N 0 2 364.427 3.106 20 5 FGBDLN COc1ccc(C[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000512009956 503433735 /nfs/dbraw/zinc/43/37/35/503433735.db2.gz PBEXWHWUJFTGFU-NSHDSACASA-N 0 2 360.366 3.135 20 5 FGBDLN CCc1nnc(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)o1 ZINC000499873128 503499367 /nfs/dbraw/zinc/49/93/67/503499367.db2.gz LXTJEOHSYBTIPM-UHFFFAOYSA-N 0 2 354.322 3.165 20 5 FGBDLN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000508681417 503541791 /nfs/dbraw/zinc/54/17/91/503541791.db2.gz SKKQAGTWMPASPG-UHFFFAOYSA-N 0 2 372.768 3.122 20 5 FGBDLN CC(=O)N(Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)C1CC1 ZINC000512792539 503632041 /nfs/dbraw/zinc/63/20/41/503632041.db2.gz LPOWCPGMZBLUIH-UHFFFAOYSA-N 0 2 369.377 3.064 20 5 FGBDLN Cc1cc(N2CCC[C@@](C)(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000518192358 503925142 /nfs/dbraw/zinc/92/51/42/503925142.db2.gz FTZHZENSANPTTG-GOSISDBHSA-N 0 2 356.382 3.051 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl ZINC000537650594 503992750 /nfs/dbraw/zinc/99/27/50/503992750.db2.gz ITSNGSSMKAGBSP-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1cc(Nc2ncc(Br)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000541331860 504094090 /nfs/dbraw/zinc/09/40/90/504094090.db2.gz NZOYKPVALCDBSN-SECBINFHSA-N 0 2 366.219 3.394 20 5 FGBDLN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000538335309 504211108 /nfs/dbraw/zinc/21/11/08/504211108.db2.gz GQFSOXQRZSIZCY-CQSZACIVSA-N 0 2 373.384 3.147 20 5 FGBDLN CC(C)(C)c1ccc(OCCNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000539950914 504746539 /nfs/dbraw/zinc/74/65/39/504746539.db2.gz OXMGMKBEIDYYKD-UHFFFAOYSA-N 0 2 358.394 3.407 20 5 FGBDLN O=C(NCc1cccc([N+](=O)[O-])c1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000562493617 504836457 /nfs/dbraw/zinc/83/64/57/504836457.db2.gz RYTZUKYYULTOHP-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000556902840 505012295 /nfs/dbraw/zinc/01/22/95/505012295.db2.gz YDQLOSQGHQWLFR-QGZVFWFLSA-N 0 2 370.405 3.164 20 5 FGBDLN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000556982685 505037712 /nfs/dbraw/zinc/03/77/12/505037712.db2.gz CQBCEUOJTJLPRJ-GUYCJALGSA-N 0 2 360.341 3.090 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cccnc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000563998357 505297991 /nfs/dbraw/zinc/29/79/91/505297991.db2.gz DKQVZGPSZFNDNV-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN COc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)c(F)cc1[N+](=O)[O-] ZINC000564557669 505452660 /nfs/dbraw/zinc/45/26/60/505452660.db2.gz GGQFBOSWPUNGNH-UHFFFAOYSA-N 0 2 364.358 3.089 20 5 FGBDLN CSCc1cc(F)ccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552326505 505461395 /nfs/dbraw/zinc/46/13/95/505461395.db2.gz VLDOVXQDKWZXEN-UHFFFAOYSA-N 0 2 350.371 3.233 20 5 FGBDLN CCCNC(=O)Nc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000552338304 505465890 /nfs/dbraw/zinc/46/58/90/505465890.db2.gz UQMIMBZRADFXRM-UHFFFAOYSA-N 0 2 372.381 3.013 20 5 FGBDLN CC(C)Oc1ccc(=NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH]n1 ZINC000589597894 506596532 /nfs/dbraw/zinc/59/65/32/506596532.db2.gz MWCZUWPJFZGLAL-UHFFFAOYSA-N 0 2 371.422 3.330 20 5 FGBDLN COc1cccc(C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000604187139 506741995 /nfs/dbraw/zinc/74/19/95/506741995.db2.gz JBNSDANJXOUJKJ-OAHLLOKOSA-N 0 2 356.378 3.156 20 5 FGBDLN CCOc1ccc(C[C@H](C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000590891970 507018876 /nfs/dbraw/zinc/01/88/76/507018876.db2.gz YROUFLIDJMPEEB-ZDUSSCGKSA-N 0 2 358.394 3.308 20 5 FGBDLN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ncc(C(=O)[O-])s1 ZINC000583872573 507023015 /nfs/dbraw/zinc/02/30/15/507023015.db2.gz SOMWUASJKKSLKF-ZETCQYMHSA-N 0 2 373.337 3.202 20 5 FGBDLN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597603514 507025974 /nfs/dbraw/zinc/02/59/74/507025974.db2.gz CULLRKKJWAUOJI-OEAJRASXSA-N 0 2 362.426 3.092 20 5 FGBDLN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c(O)cc(F)cc1F ZINC000610090794 507096862 /nfs/dbraw/zinc/09/68/62/507096862.db2.gz VLTYWZUHXCXXSZ-UHFFFAOYSA-N 0 2 350.321 3.331 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)cc1[N+](=O)[O-] ZINC000594726018 507256407 /nfs/dbraw/zinc/25/64/07/507256407.db2.gz KWXNWLZZYMELHR-UHFFFAOYSA-N 0 2 370.456 3.144 20 5 FGBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546205 700437400 /nfs/dbraw/zinc/43/74/00/700437400.db2.gz WMFUGHGNSJYWRO-UHFFFAOYSA-N 0 2 351.702 3.043 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000120037129 700646375 /nfs/dbraw/zinc/64/63/75/700646375.db2.gz PPZZGLCPNRKNPL-UHFFFAOYSA-N 0 2 362.458 3.212 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(Cl)nc3ccccn32)cccc1[N+](=O)[O-] ZINC000126126062 700744089 /nfs/dbraw/zinc/74/40/89/700744089.db2.gz RAKVDJLTDNZQMB-UHFFFAOYSA-N 0 2 366.786 3.005 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc([N+](=O)[O-])c1F ZINC000132214187 700825226 /nfs/dbraw/zinc/82/52/26/700825226.db2.gz LLPLDBGZRWLYFW-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000135603730 704850858 /nfs/dbraw/zinc/85/08/58/704850858.db2.gz RIOHAUIFMMWYSC-UHFFFAOYSA-N 0 2 371.758 3.266 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000615565930 714535336 /nfs/dbraw/zinc/53/53/36/714535336.db2.gz NFGJHKBTKVLYGZ-UHFFFAOYSA-N 0 2 372.834 3.309 20 5 FGBDLN COc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000753703461 722910012 /nfs/dbraw/zinc/91/00/12/722910012.db2.gz YDEZISIIBINMDR-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN CC(C)n1ncc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000768883950 723670914 /nfs/dbraw/zinc/67/09/14/723670914.db2.gz OPHFLRYQTSTVPJ-UHFFFAOYSA-N 0 2 366.424 3.388 20 5 FGBDLN O=C(Nc1ccccc1[C@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000773622591 723806877 /nfs/dbraw/zinc/80/68/77/723806877.db2.gz GWDGNMIJEDWVNY-ZDUSSCGKSA-N 0 2 356.256 3.148 20 5 FGBDLN CC(C)(C)c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1O ZINC000775296536 723979299 /nfs/dbraw/zinc/97/92/99/723979299.db2.gz XOJVLQNWZVDOQK-UHFFFAOYSA-N 0 2 356.425 3.460 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)C=Cc3ccccc3F)c2c1 ZINC000800040677 724133694 /nfs/dbraw/zinc/13/36/94/724133694.db2.gz DTLSQYSJRHOPQB-BQYQJAHWSA-N 0 2 362.342 3.023 20 5 FGBDLN CSCCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801385000 724298354 /nfs/dbraw/zinc/29/83/54/724298354.db2.gz LRZMYDOLLUSIOV-UHFFFAOYSA-N 0 2 371.802 3.049 20 5 FGBDLN COCCC[C@@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000842503725 730510263 /nfs/dbraw/zinc/51/02/63/730510263.db2.gz CROAWNKPAJESPD-MGPQQGTHSA-N 0 2 351.790 3.414 20 5 FGBDLN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000055595055 205222128 /nfs/dbraw/zinc/22/21/28/205222128.db2.gz KTYKAEGVXAYRJS-UHFFFAOYSA-N 0 2 363.395 3.053 20 5 FGBDLN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1OC ZINC000568060775 505606475 /nfs/dbraw/zinc/60/64/75/505606475.db2.gz NXQQKAQJMZKWLO-OCCSQVGLSA-N 0 2 366.414 3.077 20 5 FGBDLN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1OC ZINC000568060775 505606478 /nfs/dbraw/zinc/60/64/78/505606478.db2.gz NXQQKAQJMZKWLO-OCCSQVGLSA-N 0 2 366.414 3.077 20 5 FGBDLN CC(C)CCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000570909689 505609657 /nfs/dbraw/zinc/60/96/57/505609657.db2.gz RTLQNVIDAXEIFJ-UHFFFAOYSA-N 0 2 372.834 3.292 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C)c(O)c2C)cc1C ZINC000060443264 493934151 /nfs/dbraw/zinc/93/41/51/493934151.db2.gz BMGSSTQQZBCCDZ-UHFFFAOYSA-N 0 2 350.396 3.335 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 ZINC000071826145 494103374 /nfs/dbraw/zinc/10/33/74/494103374.db2.gz RMWYYZHPNURYJN-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1ccc(C)c2sc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000066249818 494294676 /nfs/dbraw/zinc/29/46/76/494294676.db2.gz JBOSXIXNMTWYSU-UHFFFAOYSA-N 0 2 363.420 3.044 20 5 FGBDLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000055591054 494368723 /nfs/dbraw/zinc/36/87/23/494368723.db2.gz VWKVWQDGMMCUSR-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CN(Cc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000023572989 494570834 /nfs/dbraw/zinc/57/08/34/494570834.db2.gz ZJRHXLDURQHKAN-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN C[S@](=O)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Cl ZINC000115724659 494604092 /nfs/dbraw/zinc/60/40/92/494604092.db2.gz YEQFCVLTCSFSNM-XMMPIXPASA-N 0 2 368.798 3.085 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000131561022 494659321 /nfs/dbraw/zinc/65/93/21/494659321.db2.gz NELIAUDVFLRNJM-UHFFFAOYSA-N 0 2 364.814 3.178 20 5 FGBDLN CCO[C@H](C)c1nc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000092546078 494664021 /nfs/dbraw/zinc/66/40/21/494664021.db2.gz VBSZTVXISIMJAP-SECBINFHSA-N 0 2 351.384 3.036 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000093930865 494936714 /nfs/dbraw/zinc/93/67/14/494936714.db2.gz ONYHUXJDFSDCOV-UHFFFAOYSA-N 0 2 373.390 3.090 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)cc1[N+](=O)[O-] ZINC000119402924 495159151 /nfs/dbraw/zinc/15/91/51/495159151.db2.gz NLWYXKVJNZKTOY-UHFFFAOYSA-N 0 2 372.472 3.317 20 5 FGBDLN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000119866410 495257717 /nfs/dbraw/zinc/25/77/17/495257717.db2.gz NXBISJMHKIVMEW-CJNGLKHVSA-N 0 2 356.378 3.198 20 5 FGBDLN O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000130077322 495338120 /nfs/dbraw/zinc/33/81/20/495338120.db2.gz XIRBRNDDQLJNBZ-CRAIPNDOSA-N 0 2 356.378 3.168 20 5 FGBDLN O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124933774 495365924 /nfs/dbraw/zinc/36/59/24/495365924.db2.gz CRCCSBZZNFAWHJ-UHFFFAOYSA-N 0 2 373.312 3.445 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000105781591 495393278 /nfs/dbraw/zinc/39/32/78/495393278.db2.gz JDCMXZMHLUEUMO-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000130461634 495396257 /nfs/dbraw/zinc/39/62/57/495396257.db2.gz SEJKYAOALAAJEU-UHFFFAOYSA-N 0 2 366.704 3.466 20 5 FGBDLN CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000131217894 495507346 /nfs/dbraw/zinc/50/73/46/495507346.db2.gz IXBODDWUPMLYGV-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1F ZINC000158664416 495562328 /nfs/dbraw/zinc/56/23/28/495562328.db2.gz RMXKPJNSOCEHPF-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000179463994 495601733 /nfs/dbraw/zinc/60/17/33/495601733.db2.gz ZHIPPSMTHOEKDV-INIZCTEOSA-N 0 2 374.368 3.261 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000179548515 495635877 /nfs/dbraw/zinc/63/58/77/495635877.db2.gz OWWMJNZWRQKRFS-GFCCVEGCSA-N 0 2 362.769 3.247 20 5 FGBDLN Cn1ccnc1SCc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000155979478 496124330 /nfs/dbraw/zinc/12/43/30/496124330.db2.gz AINCXSCDVZUUTB-UHFFFAOYSA-N 0 2 374.378 3.172 20 5 FGBDLN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183908800 496156202 /nfs/dbraw/zinc/15/62/02/496156202.db2.gz DMURHUXWSXIOSD-UHFFFAOYSA-N 0 2 360.414 3.341 20 5 FGBDLN COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000183912449 496159110 /nfs/dbraw/zinc/15/91/10/496159110.db2.gz PFCKOMJMWCVHNU-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1F ZINC000187071014 496279848 /nfs/dbraw/zinc/27/98/48/496279848.db2.gz LUDFAVTWMMOFNA-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187749479 496556229 /nfs/dbraw/zinc/55/62/29/496556229.db2.gz ISHIXFHFQNJGOM-NSHDSACASA-N 0 2 364.427 3.126 20 5 FGBDLN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164805101 496633059 /nfs/dbraw/zinc/63/30/59/496633059.db2.gz HSMNDNYCAPRCIP-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000182116122 496675063 /nfs/dbraw/zinc/67/50/63/496675063.db2.gz FGHSLWOFWRJVAU-SUMWQHHRSA-N 0 2 374.393 3.402 20 5 FGBDLN O=C(Cc1cc(Br)ccc1F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166120819 496677857 /nfs/dbraw/zinc/67/78/57/496677857.db2.gz YNDNLPPRTHOKQD-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000182163859 496693811 /nfs/dbraw/zinc/69/38/11/496693811.db2.gz OMMVEWLQLQRPAT-CQSZACIVSA-N 0 2 362.769 3.247 20 5 FGBDLN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000188644774 496863442 /nfs/dbraw/zinc/86/34/42/496863442.db2.gz VJURNWGPMUMKEA-UHFFFAOYSA-N 0 2 374.303 3.325 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000191775119 496884921 /nfs/dbraw/zinc/88/49/21/496884921.db2.gz JOLFBIFODJVPJN-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000191903617 496926609 /nfs/dbraw/zinc/92/66/09/496926609.db2.gz FEVYFDFSVFUYIM-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2sccc2[nH]1 ZINC000192345884 497081230 /nfs/dbraw/zinc/08/12/30/497081230.db2.gz JQYMZJAEHSTCBY-UHFFFAOYSA-N 0 2 354.351 3.175 20 5 FGBDLN Cc1ccccc1C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000270404026 497121041 /nfs/dbraw/zinc/12/10/41/497121041.db2.gz LLPQVHNVTBOXRP-UHFFFAOYSA-N 0 2 356.378 3.296 20 5 FGBDLN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000189503151 497141164 /nfs/dbraw/zinc/14/11/64/497141164.db2.gz KSFCNQQKUMRPEZ-IBGZPJMESA-N 0 2 358.394 3.104 20 5 FGBDLN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189556270 497161991 /nfs/dbraw/zinc/16/19/91/497161991.db2.gz HFWBKNPRSYVRCK-UHFFFAOYSA-N 0 2 369.377 3.001 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c(F)c1 ZINC000193776315 497478099 /nfs/dbraw/zinc/47/80/99/497478099.db2.gz VNOTVGLPYBDNEE-UHFFFAOYSA-N 0 2 371.415 3.260 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1C1CCCC1 ZINC000194223225 497606462 /nfs/dbraw/zinc/60/64/62/497606462.db2.gz UMZCGTVNAXXQGG-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN CCOc1cc(CN(C)Cc2nc(=O)c3sccc3[nH]2)ccc1[N+](=O)[O-] ZINC000276969346 497702936 /nfs/dbraw/zinc/70/29/36/497702936.db2.gz WNNIRPKZPDLRKT-UHFFFAOYSA-N 0 2 374.422 3.336 20 5 FGBDLN Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000280984174 497975836 /nfs/dbraw/zinc/97/58/36/497975836.db2.gz PUOVYYIEUWDOMY-ZDUSSCGKSA-N 0 2 372.377 3.419 20 5 FGBDLN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000281158716 498038984 /nfs/dbraw/zinc/03/89/84/498038984.db2.gz LLIAGYMZAZHEAH-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000282864684 498685742 /nfs/dbraw/zinc/68/57/42/498685742.db2.gz YUTWZQPQNPMRPH-JTQLQIEISA-N 0 2 358.276 3.020 20 5 FGBDLN COc1ccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000363192051 498696581 /nfs/dbraw/zinc/69/65/81/498696581.db2.gz AZCDFRKVKZONBS-UHFFFAOYSA-N 0 2 354.362 3.239 20 5 FGBDLN O=C(NCc1cnn(-c2cccc(Cl)c2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367211775 499162319 /nfs/dbraw/zinc/16/23/19/499162319.db2.gz NFTLKGXDBUSYKL-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN O=C(c1cccs1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000370078109 499175925 /nfs/dbraw/zinc/17/59/25/499175925.db2.gz QOFZGCDROWLZTB-UHFFFAOYSA-N 0 2 360.391 3.097 20 5 FGBDLN CC(=O)N1CCSc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000368220978 499275531 /nfs/dbraw/zinc/27/55/31/499275531.db2.gz MTLOZSXTVLQPFK-UHFFFAOYSA-N 0 2 373.390 3.011 20 5 FGBDLN Cc1ccccc1COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000368407443 499293134 /nfs/dbraw/zinc/29/31/34/499293134.db2.gz OVZRNWDSFKWSOD-UHFFFAOYSA-N 0 2 370.405 3.430 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000368427493 499295031 /nfs/dbraw/zinc/29/50/31/499295031.db2.gz VTMHKQDJUUDSPV-GFCCVEGCSA-N 0 2 368.798 3.229 20 5 FGBDLN COc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000372241680 499412319 /nfs/dbraw/zinc/41/23/19/499412319.db2.gz PKIUPRDAKFMZHR-UHFFFAOYSA-N 0 2 371.393 3.026 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2scnc2C2CC2)c(C)cc1[N+](=O)[O-] ZINC000414380395 499783867 /nfs/dbraw/zinc/78/38/67/499783867.db2.gz IZDWTVLWTMKNRL-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN CCC(CC)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000424941604 499971194 /nfs/dbraw/zinc/97/11/94/499971194.db2.gz JANDMRVURHIDJS-UHFFFAOYSA-N 0 2 366.414 3.178 20 5 FGBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1ccccc1)C(F)F ZINC000431620315 500399455 /nfs/dbraw/zinc/39/94/55/500399455.db2.gz JJRPKIDSEOIEGN-GFCCVEGCSA-N 0 2 360.313 3.019 20 5 FGBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](c1ccccc1)C(F)F ZINC000431620316 500399609 /nfs/dbraw/zinc/39/96/09/500399609.db2.gz JJRPKIDSEOIEGN-LBPRGKRZSA-N 0 2 360.313 3.019 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc2cccnc21 ZINC000427645132 500415542 /nfs/dbraw/zinc/41/55/42/500415542.db2.gz CDIYAESARGKZQA-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(NCc1csc(Br)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436952936 500577857 /nfs/dbraw/zinc/57/78/57/500577857.db2.gz KVXQPAYQMUOPFH-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN COc1ccc(OC(F)F)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436954989 500578688 /nfs/dbraw/zinc/57/86/88/500578688.db2.gz BPOGTQLWZYINJC-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(OC(F)(F)F)c1 ZINC000436978839 500585477 /nfs/dbraw/zinc/58/54/77/500585477.db2.gz JKZJXELRLKJYSI-UHFFFAOYSA-N 0 2 356.256 3.476 20 5 FGBDLN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000447715525 500651342 /nfs/dbraw/zinc/65/13/42/500651342.db2.gz REFBHNANWXRGIO-CYBMUJFWSA-N 0 2 358.247 3.315 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000443148602 500688159 /nfs/dbraw/zinc/68/81/59/500688159.db2.gz UJEBWKOGSQMFJK-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c([N+](=O)[O-])c1 ZINC000438767454 500819092 /nfs/dbraw/zinc/81/90/92/500819092.db2.gz WNFPPWJERZEMNT-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000438990732 500844760 /nfs/dbraw/zinc/84/47/60/500844760.db2.gz KHYOXCVHUZJWON-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)cc(C)cc1OC ZINC000434629076 500869817 /nfs/dbraw/zinc/86/98/17/500869817.db2.gz VHMMMKXNVPPHKT-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000439561691 500914084 /nfs/dbraw/zinc/91/40/84/500914084.db2.gz IPTOAMOOUODOLA-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN CCc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000445317013 500973020 /nfs/dbraw/zinc/97/30/20/500973020.db2.gz LVSAVRHOMYZYMA-UHFFFAOYSA-N 0 2 368.349 3.094 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)cc1O ZINC000445523302 500997458 /nfs/dbraw/zinc/99/74/58/500997458.db2.gz AQOKZOQPAPYRGZ-UHFFFAOYSA-N 0 2 350.237 3.014 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)cc1[N+](=O)[O-] ZINC000446949212 501185007 /nfs/dbraw/zinc/18/50/07/501185007.db2.gz FVBUUVHAHZWHBV-UHFFFAOYSA-N 0 2 353.425 3.428 20 5 FGBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436674379 501185124 /nfs/dbraw/zinc/18/51/24/501185124.db2.gz HSKZHJHECWGIRG-UHFFFAOYSA-N 0 2 352.749 3.408 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000436731004 501198944 /nfs/dbraw/zinc/19/89/44/501198944.db2.gz ZIIHKSRFTKMETR-QGZVFWFLSA-N 0 2 366.295 3.290 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000436794371 501212798 /nfs/dbraw/zinc/21/27/98/501212798.db2.gz VUYZDUWUXIINJZ-CYBMUJFWSA-N 0 2 362.407 3.183 20 5 FGBDLN CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccc(F)cc21 ZINC000436887069 501227279 /nfs/dbraw/zinc/22/72/79/501227279.db2.gz IWUJRVNAJQSNIN-UHFFFAOYSA-N 0 2 359.357 3.316 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000481598504 501827552 /nfs/dbraw/zinc/82/75/52/501827552.db2.gz VKYJHOVYSQEUKV-UHFFFAOYSA-N 0 2 366.443 3.201 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3c2OCCC3)cc1C ZINC000464542265 502023354 /nfs/dbraw/zinc/02/33/54/502023354.db2.gz GFBZVTBXMXRKGS-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN CCCc1nc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000486115518 502050884 /nfs/dbraw/zinc/05/08/84/502050884.db2.gz LGNZIWUEZQHZCR-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN CC(C)c1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC000475488130 502187364 /nfs/dbraw/zinc/18/73/64/502187364.db2.gz PNSOGVMIPCDSAN-UHFFFAOYSA-N 0 2 352.354 3.151 20 5 FGBDLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000486564234 502192264 /nfs/dbraw/zinc/19/22/64/502192264.db2.gz TUBHAGKDUBAVLC-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CCC(C)C)n[nH]1 ZINC000468978361 502250330 /nfs/dbraw/zinc/25/03/30/502250330.db2.gz NUMMPUOHGQIUDL-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN Cc1cnc2c(cccc2S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475835750 502305130 /nfs/dbraw/zinc/30/51/30/502305130.db2.gz SCSNURQWIZMRHJ-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000469140587 502312488 /nfs/dbraw/zinc/31/24/88/502312488.db2.gz ZQVOCPZUGRPQCJ-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000472436450 502350142 /nfs/dbraw/zinc/35/01/42/502350142.db2.gz VHVORVMPDOYDMB-NSHDSACASA-N 0 2 353.334 3.255 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1csc(Nc2ccccn2)n1 ZINC000483431695 502389323 /nfs/dbraw/zinc/38/93/23/502389323.db2.gz CYLSNJWURVRYCJ-UHFFFAOYSA-N 0 2 357.351 3.148 20 5 FGBDLN CC(C)(C)n1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000476754153 502578571 /nfs/dbraw/zinc/57/85/71/502578571.db2.gz DPYQVTFHSQGLBT-UHFFFAOYSA-N 0 2 358.807 3.001 20 5 FGBDLN C[C@@H](C(=O)c1ccc2c(c1)CCC2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477060758 502665736 /nfs/dbraw/zinc/66/57/36/502665736.db2.gz UJFDCMFSNNYMFS-LBPRGKRZSA-N 0 2 359.403 3.129 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000473757545 502698916 /nfs/dbraw/zinc/69/89/16/502698916.db2.gz HRZLECVNTCAMMY-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN CO[C@H](C)CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000509098848 502821189 /nfs/dbraw/zinc/82/11/89/502821189.db2.gz MEBBEYAMOSXEQV-GFCCVEGCSA-N 0 2 365.411 3.115 20 5 FGBDLN Cc1cc(N2CCSCC2)ccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000509490394 502916407 /nfs/dbraw/zinc/91/64/07/502916407.db2.gz YSBPHDMHOYLKMP-UHFFFAOYSA-N 0 2 373.434 3.414 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2cc(Br)ccc21 ZINC000508161910 503443704 /nfs/dbraw/zinc/44/37/04/503443704.db2.gz LTYRVDSBWKTAPE-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000543551657 503810488 /nfs/dbraw/zinc/81/04/88/503810488.db2.gz NTMQLXPKHBBNKU-UHFFFAOYSA-N 0 2 358.350 3.144 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1cccc(C)c1 ZINC000537768045 504033537 /nfs/dbraw/zinc/03/35/37/504033537.db2.gz MDOWDXQOKCXGOL-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CC(C)NC(=O)Nc1ccccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000538313580 504202622 /nfs/dbraw/zinc/20/26/22/504202622.db2.gz YZPZPUIIESLSJE-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1 ZINC000541783806 504252804 /nfs/dbraw/zinc/25/28/04/504252804.db2.gz OQPUPXDTWAKVIM-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000536519759 504753663 /nfs/dbraw/zinc/75/36/63/504753663.db2.gz JVTYPBCLDQMEBZ-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000553384080 504899685 /nfs/dbraw/zinc/89/96/85/504899685.db2.gz WZPFMEHTTYAOHC-URLQWDBASA-N 0 2 370.405 3.382 20 5 FGBDLN O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560526424 505115724 /nfs/dbraw/zinc/11/57/24/505115724.db2.gz GGTHRRBNUXHECX-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN CC1(C)C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC000560587420 505134727 /nfs/dbraw/zinc/13/47/27/505134727.db2.gz BGSIZKYCIJYGJU-CQSZACIVSA-N 0 2 360.341 3.472 20 5 FGBDLN COc1ccccc1C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000560640096 505151635 /nfs/dbraw/zinc/15/16/35/505151635.db2.gz FDBMLZIUDZCXTM-UHFFFAOYSA-N 0 2 356.378 3.161 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1[N+](=O)[O-] ZINC000567269728 505413676 /nfs/dbraw/zinc/41/36/76/505413676.db2.gz UKUIKBMHJNVIBZ-UHFFFAOYSA-N 0 2 353.400 3.244 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000589487639 506566689 /nfs/dbraw/zinc/56/66/89/506566689.db2.gz FZKRQRNPNGLHFS-NSHDSACASA-N 0 2 361.785 3.419 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(F)cc(OC)cc1F ZINC000589559312 506586733 /nfs/dbraw/zinc/58/67/33/506586733.db2.gz HFUMWTRRWGWIMR-UHFFFAOYSA-N 0 2 372.349 3.245 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccccc2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608926948 506744023 /nfs/dbraw/zinc/74/40/23/506744023.db2.gz QRIZYJFKHVSHFU-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCc1ccc(O)c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590598076 506873580 /nfs/dbraw/zinc/87/35/80/506873580.db2.gz JPOLUVJEFIKGMU-UHFFFAOYSA-N 0 2 354.359 3.111 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000609812942 507012658 /nfs/dbraw/zinc/01/26/58/507012658.db2.gz OARQGMYBXJGQOP-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN COc1cccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000600661196 507052893 /nfs/dbraw/zinc/05/28/93/507052893.db2.gz RYTDHLWOZSJKQZ-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COC[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCc2ccccc21 ZINC000600791184 507122210 /nfs/dbraw/zinc/12/22/10/507122210.db2.gz DRBCDFXHXYEMCK-ACJLOTCBSA-N 0 2 370.405 3.465 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000598196882 507307336 /nfs/dbraw/zinc/30/73/36/507307336.db2.gz DAOBWYRUFNRAKU-HNNXBMFYSA-N 0 2 360.341 3.425 20 5 FGBDLN COc1cccc([C@@]2(C)CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000598224756 507327466 /nfs/dbraw/zinc/32/74/66/507327466.db2.gz KSIBDQZONVUWNW-IBGZPJMESA-N 0 2 356.378 3.113 20 5 FGBDLN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598386697 507401479 /nfs/dbraw/zinc/40/14/79/507401479.db2.gz WKHAIQDJLFJEIS-UHFFFAOYSA-N 0 2 366.414 3.130 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cnn1CC(C)C ZINC000598711808 507563769 /nfs/dbraw/zinc/56/37/69/507563769.db2.gz HCDNOWNVQFXNGP-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000615193535 507774101 /nfs/dbraw/zinc/77/41/01/507774101.db2.gz FVDXLOMJVCOLBH-UHFFFAOYSA-N 0 2 374.740 3.152 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCCC1 ZINC000073135016 695966260 /nfs/dbraw/zinc/96/62/60/695966260.db2.gz ZEEAYRHEWSVVQI-UHFFFAOYSA-N 0 2 361.423 3.304 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000130637247 700804536 /nfs/dbraw/zinc/80/45/36/700804536.db2.gz GBTTZEMVBUEHDI-UHFFFAOYSA-N 0 2 358.807 3.135 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2occ(C)c2c1 ZINC000619468208 714840273 /nfs/dbraw/zinc/84/02/73/714840273.db2.gz GVNKQUJNVCGDGD-UHFFFAOYSA-N 0 2 362.363 3.459 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000754270423 722933294 /nfs/dbraw/zinc/93/32/94/722933294.db2.gz SSZZYLJERRUKKZ-UHFFFAOYSA-N 0 2 359.816 3.166 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000768282459 723652587 /nfs/dbraw/zinc/65/25/87/723652587.db2.gz HBZHYPFAIIANMG-UHFFFAOYSA-N 0 2 370.406 3.004 20 5 FGBDLN COCCOc1ccc(Cl)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776200707 724117707 /nfs/dbraw/zinc/11/77/07/724117707.db2.gz YQPFMHCWIQWTSJ-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000788844628 725090982 /nfs/dbraw/zinc/09/09/82/725090982.db2.gz BHONMZOEURNGAK-UHFFFAOYSA-N 0 2 371.293 3.010 20 5 FGBDLN CC[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(F)F ZINC000831729623 729664542 /nfs/dbraw/zinc/66/45/42/729664542.db2.gz XSVANQDKHUBEMW-LURJTMIESA-N 0 2 363.169 3.224 20 5 FGBDLN Cc1csc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)n1 ZINC000899545145 742966958 /nfs/dbraw/zinc/96/69/58/742966958.db2.gz QRCQCIIXCUPAJV-LBPRGKRZSA-N 0 2 361.423 3.160 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000570785033 505580145 /nfs/dbraw/zinc/58/01/45/505580145.db2.gz SBGGMPDDIVVSBV-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)C1CC1 ZINC000573832873 505631885 /nfs/dbraw/zinc/63/18/85/505631885.db2.gz LYKJDFYSDZTMNV-UHFFFAOYSA-N 0 2 355.350 3.068 20 5 FGBDLN O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029795668 493859347 /nfs/dbraw/zinc/85/93/47/493859347.db2.gz XQVGSDDJWDSXID-UHFFFAOYSA-N 0 2 356.256 3.129 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000063584586 494066776 /nfs/dbraw/zinc/06/67/76/494066776.db2.gz AEEDIJADEXYFPY-UHFFFAOYSA-N 0 2 359.357 3.156 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1C ZINC000064621421 494137980 /nfs/dbraw/zinc/13/79/80/494137980.db2.gz FSVSGEBPMPKVKP-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000065833919 494244569 /nfs/dbraw/zinc/24/45/69/494244569.db2.gz DEZNLPVKCWGTMM-UHFFFAOYSA-N 0 2 372.834 3.309 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000024425467 494626731 /nfs/dbraw/zinc/62/67/31/494626731.db2.gz DGTHGXFFEJLELW-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000113428382 495305186 /nfs/dbraw/zinc/30/51/86/495305186.db2.gz RRKLYSMEEMDUGD-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](c1ccccc1)N1CCSCC1 ZINC000124963335 495370680 /nfs/dbraw/zinc/37/06/80/495370680.db2.gz KTKXETUVGPRVJO-QGZVFWFLSA-N 0 2 373.434 3.029 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000125663340 495478941 /nfs/dbraw/zinc/47/89/41/495478941.db2.gz VZGUITUMELCFEY-CYBMUJFWSA-N 0 2 362.407 3.183 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000120962644 495493458 /nfs/dbraw/zinc/49/34/58/495493458.db2.gz FPKXAORCZDXTTM-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)c([N+](=O)[O-])c1 ZINC000158647009 495557938 /nfs/dbraw/zinc/55/79/38/495557938.db2.gz NYMSOIGOIVREEG-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN COc1ccccc1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179462523 495601266 /nfs/dbraw/zinc/60/12/66/495601266.db2.gz PREFSERAJLLOSZ-CQSZACIVSA-N 0 2 356.378 3.156 20 5 FGBDLN O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170902297 495647824 /nfs/dbraw/zinc/64/78/24/495647824.db2.gz GRTAZUXNKSXSFY-HNNXBMFYSA-N 0 2 355.375 3.276 20 5 FGBDLN O=C(N[C@@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170902301 495647886 /nfs/dbraw/zinc/64/78/86/495647886.db2.gz GRTAZUXNKSXSFY-OAHLLOKOSA-N 0 2 355.375 3.276 20 5 FGBDLN Cc1nn(CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000154698220 495698716 /nfs/dbraw/zinc/69/87/16/495698716.db2.gz JXCSQOXEHNMAIR-UHFFFAOYSA-N 0 2 373.196 3.449 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185974749 495805034 /nfs/dbraw/zinc/80/50/34/495805034.db2.gz DBFMJOHVGFHRAM-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000159894620 495833774 /nfs/dbraw/zinc/83/37/74/495833774.db2.gz REXYUQCPOFMMNY-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)CO1 ZINC000174346815 495921353 /nfs/dbraw/zinc/92/13/53/495921353.db2.gz IYUIPJZUNIDJSV-UGSOOPFHSA-N 0 2 356.378 3.211 20 5 FGBDLN O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160294905 495927728 /nfs/dbraw/zinc/92/77/28/495927728.db2.gz PKPUYHWLIPHACW-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C(=O)N1CCCC1 ZINC000183409743 495970023 /nfs/dbraw/zinc/97/00/23/495970023.db2.gz RCSORUISPOSIQT-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000183599818 496043118 /nfs/dbraw/zinc/04/31/18/496043118.db2.gz ABCOGDPUULPXCW-UHFFFAOYSA-N 0 2 367.155 3.329 20 5 FGBDLN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155939337 496113519 /nfs/dbraw/zinc/11/35/19/496113519.db2.gz JNGOYLOEGFBIGQ-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000187016511 496253255 /nfs/dbraw/zinc/25/32/55/496253255.db2.gz QJCCAPZFDQWNHC-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000184272016 496312792 /nfs/dbraw/zinc/31/27/92/496312792.db2.gz ZFLDGVVMGAFCIG-HNNXBMFYSA-N 0 2 355.394 3.041 20 5 FGBDLN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C(=O)N1CCCC1 ZINC000184660045 496482840 /nfs/dbraw/zinc/48/28/40/496482840.db2.gz BAMJVTXLOYLRIN-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184835018 496550577 /nfs/dbraw/zinc/55/05/77/496550577.db2.gz MUSFBQNQIYNTFG-VHSXEESVSA-N 0 2 352.268 3.460 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000182127485 496679481 /nfs/dbraw/zinc/67/94/81/496679481.db2.gz RVHLNACTVLJOGC-CYBMUJFWSA-N 0 2 362.407 3.183 20 5 FGBDLN Cc1nc(CC(C)C)oc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000188143151 496699365 /nfs/dbraw/zinc/69/93/65/496699365.db2.gz OIDVCYUWNXLQJO-UHFFFAOYSA-N 0 2 370.369 3.127 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000185308280 496727126 /nfs/dbraw/zinc/72/71/26/496727126.db2.gz FSNUZJSTXGLKAH-YOEHRIQHSA-N 0 2 374.368 3.168 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1O ZINC000221012794 497017906 /nfs/dbraw/zinc/01/79/06/497017906.db2.gz GCSWQDUFPVENMG-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN COC(=O)c1cnc(Nc2cn(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 ZINC000189382314 497102451 /nfs/dbraw/zinc/10/24/51/497102451.db2.gz FDWBAYMHEJEBJA-UHFFFAOYSA-N 0 2 353.338 3.014 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c2ncccc12 ZINC000193129085 497309424 /nfs/dbraw/zinc/30/94/24/497309424.db2.gz WKAVHJZJZIJING-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000193201899 497322581 /nfs/dbraw/zinc/32/25/81/497322581.db2.gz XIGWIUPPWHGLON-UHFFFAOYSA-N 0 2 362.285 3.294 20 5 FGBDLN O=C(NCc1ccccc1[N+](=O)[O-])C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000574995225 505900716 /nfs/dbraw/zinc/90/07/16/505900716.db2.gz CISNJNMPTXCKFC-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194661207 497733087 /nfs/dbraw/zinc/73/30/87/497733087.db2.gz QWPKLYILANIPEE-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)ccc1[N+](=O)[O-] ZINC000194782076 497768878 /nfs/dbraw/zinc/76/88/78/497768878.db2.gz ZYLJRXXYYGQSAU-UHFFFAOYSA-N 0 2 366.399 3.135 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000293611828 498428855 /nfs/dbraw/zinc/42/88/55/498428855.db2.gz YSPOQHAQXCTFJJ-UHFFFAOYSA-N 0 2 374.368 3.418 20 5 FGBDLN COc1cc(Br)cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000318795423 498798662 /nfs/dbraw/zinc/79/86/62/498798662.db2.gz RDBCVSKUMBYYNQ-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN C[C@@H](C(=O)c1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000321870864 498815062 /nfs/dbraw/zinc/81/50/62/498815062.db2.gz PYXZAQLULBUIIW-JTQLQIEISA-N 0 2 353.783 3.293 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(OC)c1C ZINC000298856497 498897941 /nfs/dbraw/zinc/89/79/41/498897941.db2.gz NNWZERDLKMRDSG-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1sc(C)cc1C ZINC000295397670 499004739 /nfs/dbraw/zinc/00/47/39/499004739.db2.gz VVZQZQKWNCKUAO-UHFFFAOYSA-N 0 2 356.425 3.220 20 5 FGBDLN O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000582091241 506131039 /nfs/dbraw/zinc/13/10/39/506131039.db2.gz HRHKQRBMRDWMOQ-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000570293239 506134692 /nfs/dbraw/zinc/13/46/92/506134692.db2.gz MZWKTJUVCSIBGD-DLBZAZTESA-N 0 2 356.378 3.394 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000570293239 506134695 /nfs/dbraw/zinc/13/46/95/506134695.db2.gz MZWKTJUVCSIBGD-DLBZAZTESA-N 0 2 356.378 3.394 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Nc2ccc(F)cc2)CC1 ZINC000367522420 499208687 /nfs/dbraw/zinc/20/86/87/499208687.db2.gz FMHCXJIZYHVWSJ-UHFFFAOYSA-N 0 2 359.357 3.156 20 5 FGBDLN CCc1csc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000414466787 499795965 /nfs/dbraw/zinc/79/59/65/499795965.db2.gz CMJLSGWLCIKWFO-UHFFFAOYSA-N 0 2 361.832 3.376 20 5 FGBDLN O=C([O-])[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(O)cc1 ZINC000426776061 500319126 /nfs/dbraw/zinc/31/91/26/500319126.db2.gz FGHNBFXDTLGNPS-GOSISDBHSA-N 0 2 368.345 3.476 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(C(F)(F)F)cs1 ZINC000428632569 500535636 /nfs/dbraw/zinc/53/56/36/500535636.db2.gz XYFWDQYZJAYONZ-LURJTMIESA-N 0 2 361.301 3.267 20 5 FGBDLN CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2O1 ZINC000442834243 500632509 /nfs/dbraw/zinc/63/25/09/500632509.db2.gz JGMBCKOKUJWVOY-INIZCTEOSA-N 0 2 364.379 3.293 20 5 FGBDLN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000443578417 500741393 /nfs/dbraw/zinc/74/13/93/500741393.db2.gz SLIHMMASUYJYMW-UHFFFAOYSA-N 0 2 358.228 3.157 20 5 FGBDLN O=C(Nc1ccc2nn[nH]c2c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444183060 500814240 /nfs/dbraw/zinc/81/42/40/500814240.db2.gz MCAHWXMHJHVICD-UHFFFAOYSA-N 0 2 355.357 3.205 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)cc1C ZINC000438819402 500822308 /nfs/dbraw/zinc/82/23/08/500822308.db2.gz OVUFUGZLEJSGSU-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OC4CCC4)c3)no2)cc1O ZINC000445231336 500957658 /nfs/dbraw/zinc/95/76/58/500957658.db2.gz BOVHBUUEIKAMQS-UHFFFAOYSA-N 0 2 354.322 3.344 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(CC1)OCCc1ccccc12 ZINC000457110266 501651814 /nfs/dbraw/zinc/65/18/14/501651814.db2.gz FLLVTWRMLGMQER-UHFFFAOYSA-N 0 2 368.389 3.005 20 5 FGBDLN O=C(Nc1cc(F)cc(Cl)c1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000474429589 501833484 /nfs/dbraw/zinc/83/34/84/501833484.db2.gz GJSRKCKEYJOTPB-UHFFFAOYSA-N 0 2 350.693 3.222 20 5 FGBDLN CSc1cccc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1[N+](=O)[O-] ZINC000486225302 502090199 /nfs/dbraw/zinc/09/01/99/502090199.db2.gz AZTMPKBIECNAEQ-UHFFFAOYSA-N 0 2 352.441 3.140 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000479115524 502167873 /nfs/dbraw/zinc/16/78/73/502167873.db2.gz NBYCIKJCXFMYBL-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000468981157 502251610 /nfs/dbraw/zinc/25/16/10/502251610.db2.gz OCWQHIXPIUQSGO-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475831907 502304516 /nfs/dbraw/zinc/30/45/16/502304516.db2.gz LSNDGOKKTGFDDG-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC(C)COc1cccc(OCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000483431624 502390008 /nfs/dbraw/zinc/39/00/08/502390008.db2.gz CNVSHUSKELYKJM-UHFFFAOYSA-N 0 2 360.366 3.353 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000480217418 502504086 /nfs/dbraw/zinc/50/40/86/502504086.db2.gz NAIQKBHDIBZARR-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000480232244 502509179 /nfs/dbraw/zinc/50/91/79/502509179.db2.gz ZQYGVLDWQIBNBJ-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480738327 502657012 /nfs/dbraw/zinc/65/70/12/502657012.db2.gz HAHBUNNTINATNO-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1 ZINC000481020722 502730550 /nfs/dbraw/zinc/73/05/50/502730550.db2.gz DWCPVGSOZAMZOI-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccnn1-c1ccccc1 ZINC000481024658 502732271 /nfs/dbraw/zinc/73/22/71/502732271.db2.gz NYEADWJMZAYTHC-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509089957 502818465 /nfs/dbraw/zinc/81/84/65/502818465.db2.gz PDBGPRMQQPKMHP-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508261608 503464765 /nfs/dbraw/zinc/46/47/65/503464765.db2.gz CGRGZWDGRWAMIW-UHFFFAOYSA-N 0 2 370.283 3.128 20 5 FGBDLN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000512749610 503624911 /nfs/dbraw/zinc/62/49/11/503624911.db2.gz PPGBZAVOZQOVKI-QLJPJBMISA-N 0 2 364.785 3.460 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000540497407 503793823 /nfs/dbraw/zinc/79/38/23/503793823.db2.gz OTLHZNSZEALASO-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537242982 503854534 /nfs/dbraw/zinc/85/45/34/503854534.db2.gz UHJDNDYAAFYNBG-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)c([N+](=O)[O-])c1 ZINC000543792838 503895208 /nfs/dbraw/zinc/89/52/08/503895208.db2.gz QTRBHDRBSVJROL-UHFFFAOYSA-N 0 2 364.427 3.095 20 5 FGBDLN O=C(CSc1ccccc1[N+](=O)[O-])N=c1ccc(-c2ccccc2)n[nH]1 ZINC000544097600 504005655 /nfs/dbraw/zinc/00/56/55/504005655.db2.gz RCBPLRZBDNGVPP-UHFFFAOYSA-N 0 2 366.402 3.205 20 5 FGBDLN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000545298505 504434942 /nfs/dbraw/zinc/43/49/42/504434942.db2.gz ANRHICDEYXANCQ-UHFFFAOYSA-N 0 2 372.768 3.122 20 5 FGBDLN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc([N+](=O)[O-])cc1O ZINC000548444461 504448875 /nfs/dbraw/zinc/44/88/75/504448875.db2.gz KXNJMFJIHWTRQP-UHFFFAOYSA-N 0 2 364.741 3.367 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535891454 504573439 /nfs/dbraw/zinc/57/34/39/504573439.db2.gz KQUBZCQNHWFKDQ-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC(C)C[C@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccn1 ZINC000521178445 504671007 /nfs/dbraw/zinc/67/10/07/504671007.db2.gz FPMAREALKVGOLF-ZDUSSCGKSA-N 0 2 373.409 3.439 20 5 FGBDLN CN(Cc1ccccc1Br)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539930462 504741199 /nfs/dbraw/zinc/74/11/99/504741199.db2.gz AJHMTMHBYFXBEH-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN CNC(=O)[C@H]1CCCc2sc(/C=C/c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000559193098 504799640 /nfs/dbraw/zinc/79/96/40/504799640.db2.gz FTUMTBRGBTUGAN-IOCXFXADSA-N 0 2 359.407 3.093 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000559660148 504906889 /nfs/dbraw/zinc/90/68/89/504906889.db2.gz PNOBMIZBMVKXMS-UHFFFAOYSA-N 0 2 374.831 3.086 20 5 FGBDLN COc1nc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2s1 ZINC000560010834 504970036 /nfs/dbraw/zinc/97/00/36/504970036.db2.gz PMBHFIQRCMXBRG-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN CCNC(=O)Nc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000560691346 505162463 /nfs/dbraw/zinc/16/24/63/505162463.db2.gz ISWABKYMMHBRRS-UHFFFAOYSA-N 0 2 358.354 3.003 20 5 FGBDLN CSc1cccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000566760570 505265269 /nfs/dbraw/zinc/26/52/69/505265269.db2.gz QVLMZAUOQDDLOQ-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN Cc1cc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555191643 505375198 /nfs/dbraw/zinc/37/51/98/505375198.db2.gz GDQCABZWLFTQLY-VIFPVBQESA-N 0 2 371.319 3.130 20 5 FGBDLN O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000603672283 506592569 /nfs/dbraw/zinc/59/25/69/506592569.db2.gz XOFSUAWWBRURFF-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN CC1(c2nc(=NC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)s[nH]2)CC1 ZINC000600227088 506859365 /nfs/dbraw/zinc/85/93/65/506859365.db2.gz JDIFCITVAXOWMB-UHFFFAOYSA-N 0 2 372.328 3.191 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCOC3)c1[N+](=O)[O-] ZINC000594697480 507243991 /nfs/dbraw/zinc/24/39/91/507243991.db2.gz YBTJWIRDFXXYBJ-UHFFFAOYSA-N 0 2 362.407 3.085 20 5 FGBDLN CC(C)(C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000614292131 507444055 /nfs/dbraw/zinc/44/40/55/507444055.db2.gz NBUYEPJLTFRXJI-UHFFFAOYSA-N 0 2 358.807 3.001 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1C ZINC000598714125 507565121 /nfs/dbraw/zinc/56/51/21/507565121.db2.gz POSIAVKNMANOCA-LLVKDONJSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cccc2sc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)nc21 ZINC000119970530 700644173 /nfs/dbraw/zinc/64/41/73/700644173.db2.gz UDBFTPJCFXLKQS-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OCC2CC2)cs1 ZINC000120263357 700651580 /nfs/dbraw/zinc/65/15/80/700651580.db2.gz FHBPDKLKYRNRJG-UHFFFAOYSA-N 0 2 354.409 3.246 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000176635481 705581446 /nfs/dbraw/zinc/58/14/46/705581446.db2.gz KTCWLGQSGVXSMX-UHFFFAOYSA-N 0 2 371.758 3.266 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000522821753 714207323 /nfs/dbraw/zinc/20/73/23/714207323.db2.gz JPURMWFYWDVCLY-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000524548459 714287772 /nfs/dbraw/zinc/28/77/72/714287772.db2.gz ILIGMSKLIPWUCW-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1Cc2ccc(Br)cc2C1 ZINC000803110235 724430759 /nfs/dbraw/zinc/43/07/59/724430759.db2.gz XKURZAWCHLYWFI-UHFFFAOYSA-N 0 2 363.167 3.219 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cs1 ZINC000768866986 723670203 /nfs/dbraw/zinc/67/02/03/723670203.db2.gz WFUQYOIIJZVIJE-UHFFFAOYSA-N 0 2 365.392 3.476 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2cccc2)c1 ZINC000110540072 206078187 /nfs/dbraw/zinc/07/81/87/206078187.db2.gz CWSOCAUKWIUAMQ-UHFFFAOYSA-N 0 2 373.390 3.195 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)cc1[N+](=O)[O-] ZINC000577005369 505643945 /nfs/dbraw/zinc/64/39/45/505643945.db2.gz WCWWCMJMQQXIIB-UHFFFAOYSA-N 0 2 371.440 3.293 20 5 FGBDLN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068467376 493826102 /nfs/dbraw/zinc/82/61/02/493826102.db2.gz VVRDNLDFJSMXRG-NSHDSACASA-N 0 2 354.366 3.161 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000067124072 494479079 /nfs/dbraw/zinc/47/90/79/494479079.db2.gz OXDLEMVHJHMSBC-UHFFFAOYSA-N 0 2 364.427 3.046 20 5 FGBDLN CC(C)c1csc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000074175001 494492690 /nfs/dbraw/zinc/49/26/90/494492690.db2.gz RQMSZBWCOCZAKZ-UHFFFAOYSA-N 0 2 361.832 3.051 20 5 FGBDLN CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1Cc1ccccc1 ZINC000092546456 494664814 /nfs/dbraw/zinc/66/48/14/494664814.db2.gz HGDHDNZUJFVGCI-UHFFFAOYSA-N 0 2 366.377 3.360 20 5 FGBDLN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000047521436 494726447 /nfs/dbraw/zinc/72/64/47/494726447.db2.gz GODUUNQOJJGDOV-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2scnc2c1 ZINC000116569370 494816964 /nfs/dbraw/zinc/81/69/64/494816964.db2.gz BLDMNWPUOZTXBC-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119426721 495165146 /nfs/dbraw/zinc/16/51/46/495165146.db2.gz YRSNOBNMOIABDE-GQCTYLIASA-N 0 2 358.335 3.168 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c1C ZINC000130627676 495421563 /nfs/dbraw/zinc/42/15/63/495421563.db2.gz CWUATKIQVWODFL-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000130711855 495434433 /nfs/dbraw/zinc/43/44/33/495434433.db2.gz CAYJWVKLNPDXGG-UHFFFAOYSA-N 0 2 372.834 3.191 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000176588408 495710539 /nfs/dbraw/zinc/71/05/39/495710539.db2.gz AGVZSBYIMVRSEM-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000176591098 495711784 /nfs/dbraw/zinc/71/17/84/495711784.db2.gz VAHUHXQMHLYMAQ-UHFFFAOYSA-N 0 2 374.419 3.119 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Cl)c1F ZINC000159720556 495793726 /nfs/dbraw/zinc/79/37/26/495793726.db2.gz RUIMXTKWAMYQJI-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000171341810 495827790 /nfs/dbraw/zinc/82/77/90/495827790.db2.gz KYLORDKCQBQRSG-NSHDSACASA-N 0 2 364.427 3.126 20 5 FGBDLN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000180181440 495895012 /nfs/dbraw/zinc/89/50/12/495895012.db2.gz ASQUUQWNVZORJD-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000183462865 495994724 /nfs/dbraw/zinc/99/47/24/495994724.db2.gz OYVFLWMPDMADMF-LJQANCHMSA-N 0 2 363.373 3.347 20 5 FGBDLN O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183898135 496153153 /nfs/dbraw/zinc/15/31/53/496153153.db2.gz FFUPRASVBJRKSP-UHFFFAOYSA-N 0 2 356.256 3.380 20 5 FGBDLN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000156175268 496177690 /nfs/dbraw/zinc/17/76/90/496177690.db2.gz CDZLKNKIWNAKTK-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184593591 496456184 /nfs/dbraw/zinc/45/61/84/496456184.db2.gz GLYWFBLUOMMYIP-UHFFFAOYSA-N 0 2 352.293 3.174 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000184687421 496493344 /nfs/dbraw/zinc/49/33/44/496493344.db2.gz IHMAIDSAUPCCHP-IBGZPJMESA-N 0 2 363.373 3.347 20 5 FGBDLN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000580834011 505849317 /nfs/dbraw/zinc/84/93/17/505849317.db2.gz IPYZULHNUGBYGS-UHFFFAOYSA-N 0 2 365.411 3.063 20 5 FGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2F)c2cccnc21 ZINC000184964931 496602933 /nfs/dbraw/zinc/60/29/33/496602933.db2.gz IETWEQKCTPRTOG-UHFFFAOYSA-N 0 2 365.317 3.222 20 5 FGBDLN C[S@@](=O)Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC000164665567 496626342 /nfs/dbraw/zinc/62/63/42/496626342.db2.gz KQSRIYJXJGYMSH-DEOSSOPVSA-N 0 2 368.798 3.085 20 5 FGBDLN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182086845 496664324 /nfs/dbraw/zinc/66/43/24/496664324.db2.gz TVGCCNRYCQKKHG-UHFFFAOYSA-N 0 2 354.362 3.391 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179095166 496673199 /nfs/dbraw/zinc/67/31/99/496673199.db2.gz OLSGOXRPHXOURJ-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN CC(C)c1[nH]nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1Br ZINC000166068393 496676608 /nfs/dbraw/zinc/67/66/08/496676608.db2.gz JUBKPNISNPDFIQ-UHFFFAOYSA-N 0 2 369.175 3.162 20 5 FGBDLN COc1cccc(-c2nc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(C)[nH]2)c1 ZINC000166134220 496677983 /nfs/dbraw/zinc/67/79/83/496677983.db2.gz BJJHPYMIUADZBI-UHFFFAOYSA-N 0 2 368.349 3.260 20 5 FGBDLN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)[nH]2)c1 ZINC000166134220 496677988 /nfs/dbraw/zinc/67/79/88/496677988.db2.gz BJJHPYMIUADZBI-UHFFFAOYSA-N 0 2 368.349 3.260 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000185308263 496727210 /nfs/dbraw/zinc/72/72/10/496727210.db2.gz FSNUZJSTXGLKAH-WMLDXEAASA-N 0 2 374.368 3.168 20 5 FGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273621896 496856267 /nfs/dbraw/zinc/85/62/67/496856267.db2.gz ZJIWTHYPCINBHX-RDTXWAMCSA-N 0 2 374.368 3.432 20 5 FGBDLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000217217265 496995638 /nfs/dbraw/zinc/99/56/38/496995638.db2.gz COONWQMYWGUPAM-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000218052366 497000047 /nfs/dbraw/zinc/00/00/47/497000047.db2.gz HBTWMZVFFMBERH-UHFFFAOYSA-N 0 2 369.207 3.470 20 5 FGBDLN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000189503175 497141494 /nfs/dbraw/zinc/14/14/94/497141494.db2.gz KSFCNQQKUMRPEZ-LJQANCHMSA-N 0 2 358.394 3.104 20 5 FGBDLN COc1cccc(OC)c1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000274774792 497162288 /nfs/dbraw/zinc/16/22/88/497162288.db2.gz WBEDCXADGGGNMV-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000267987356 497652129 /nfs/dbraw/zinc/65/21/29/497652129.db2.gz ILUPFIMEMARXIU-UHFFFAOYSA-N 0 2 361.832 3.431 20 5 FGBDLN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194410226 497656868 /nfs/dbraw/zinc/65/68/68/497656868.db2.gz HDEIYXBHQZWOSS-QAPCUYQASA-N 0 2 356.378 3.198 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC000194639767 497727428 /nfs/dbraw/zinc/72/74/28/497727428.db2.gz VAZGFRZXHJSERM-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000280764828 497889258 /nfs/dbraw/zinc/88/92/58/497889258.db2.gz BGCSPKXFFBPSJH-BXUZGUMPSA-N 0 2 362.407 3.090 20 5 FGBDLN Cc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1C(=O)N1CCCC1 ZINC000280916874 497949164 /nfs/dbraw/zinc/94/91/64/497949164.db2.gz JBFADJPCRRKFDQ-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280927024 497953191 /nfs/dbraw/zinc/95/31/91/497953191.db2.gz KCPVGUKAROHKFL-UHFFFAOYSA-N 0 2 371.393 3.247 20 5 FGBDLN O=C(N[C@@H](c1ccc(F)cc1)c1cccnc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000365214152 498354869 /nfs/dbraw/zinc/35/48/69/498354869.db2.gz SSQHJHQPVIWWTL-SFHVURJKSA-N 0 2 367.336 3.354 20 5 FGBDLN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(O)c1[N+](=O)[O-])CCC2 ZINC000331848777 498475074 /nfs/dbraw/zinc/47/50/74/498475074.db2.gz QJRVUSUOMRKDRT-LBPRGKRZSA-N 0 2 361.423 3.469 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCCC3)[nH+]c2)c1 ZINC000581886594 506083116 /nfs/dbraw/zinc/08/31/16/506083116.db2.gz KLHVRLJECWRRPQ-UHFFFAOYSA-N 0 2 356.382 3.290 20 5 FGBDLN COc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000318668303 498798247 /nfs/dbraw/zinc/79/82/47/498798247.db2.gz JCVCBFXVBHJQKF-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cc(C3CC3)n(CC)n2)cc1[N+](=O)[O-] ZINC000573120384 506123700 /nfs/dbraw/zinc/12/37/00/506123700.db2.gz NLSWWXVCFWUHAV-UHFFFAOYSA-N 0 2 364.427 3.052 20 5 FGBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCN(c2cccc(F)c2)CC1 ZINC000367618968 499218504 /nfs/dbraw/zinc/21/85/04/499218504.db2.gz UUTLBZOIJQGUHH-UHFFFAOYSA-N 0 2 373.384 3.181 20 5 FGBDLN Cc1cccc(NC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000369495229 499408869 /nfs/dbraw/zinc/40/88/69/499408869.db2.gz YIUKQTGLPJSDKN-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN Cc1sc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])nc1C(C)C ZINC000576411500 506152227 /nfs/dbraw/zinc/15/22/27/506152227.db2.gz SBBOYRYJALHFTE-UHFFFAOYSA-N 0 2 369.468 3.468 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000410410830 499661188 /nfs/dbraw/zinc/66/11/88/499661188.db2.gz ZHTKRYIMDMEVIZ-UHFFFAOYSA-N 0 2 358.322 3.073 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412708983 499878517 /nfs/dbraw/zinc/87/85/17/499878517.db2.gz JYDRVLUCCNMYIS-GOSISDBHSA-N 0 2 368.389 3.294 20 5 FGBDLN Cc1ccnc(-c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)n1 ZINC000436972569 500583544 /nfs/dbraw/zinc/58/35/44/500583544.db2.gz UARUBSVQMQLQCM-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CCOCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000436980325 500585195 /nfs/dbraw/zinc/58/51/95/500585195.db2.gz MVHHYYNWONNQQD-UHFFFAOYSA-N 0 2 374.393 3.414 20 5 FGBDLN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(CC)CC ZINC000436988020 500586860 /nfs/dbraw/zinc/58/68/60/500586860.db2.gz KKTWXKXDGMYWLN-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)C)c(C)s1 ZINC000573507408 506205884 /nfs/dbraw/zinc/20/58/84/506205884.db2.gz ZZLFFIIJEXLDCV-UHFFFAOYSA-N 0 2 371.440 3.293 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])c1 ZINC000437329730 500631068 /nfs/dbraw/zinc/63/10/68/500631068.db2.gz QBBFUQBIQCBUPS-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000447717329 500651766 /nfs/dbraw/zinc/65/17/66/500651766.db2.gz WQUAPFXFJHGXHF-CYBMUJFWSA-N 0 2 358.247 3.315 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3OCC(F)F)no2)cc1O ZINC000445261816 500962442 /nfs/dbraw/zinc/96/24/42/500962442.db2.gz UJEFXVFAKWTYCW-UHFFFAOYSA-N 0 2 364.264 3.056 20 5 FGBDLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000436607493 501168671 /nfs/dbraw/zinc/16/86/71/501168671.db2.gz ONDVKKVBADJNJC-UHFFFAOYSA-N 0 2 364.379 3.002 20 5 FGBDLN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc([N+](=O)[O-])ccc1O ZINC000436630038 501173512 /nfs/dbraw/zinc/17/35/12/501173512.db2.gz YTZUWSAREYNKGS-INIZCTEOSA-N 0 2 370.409 3.419 20 5 FGBDLN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436682450 501187226 /nfs/dbraw/zinc/18/72/26/501187226.db2.gz VQLWJRDWSYCFNO-CYBMUJFWSA-N 0 2 354.284 3.376 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(F)cc(Cl)c1O ZINC000436848432 501220512 /nfs/dbraw/zinc/22/05/12/501220512.db2.gz VSNXZVLCLUXGLJ-UHFFFAOYSA-N 0 2 354.721 3.032 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc1C1CC1 ZINC000451054200 501242274 /nfs/dbraw/zinc/24/22/74/501242274.db2.gz KCSKDZFJLZSKML-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)(F)F ZINC000451070676 501243165 /nfs/dbraw/zinc/24/31/65/501243165.db2.gz JAGASOQPEJTIHK-YFKPBYRVSA-N 0 2 363.169 3.224 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccccc12 ZINC000457134257 501656751 /nfs/dbraw/zinc/65/67/51/501656751.db2.gz IXNHGVYWGJHBHW-UHFFFAOYSA-N 0 2 368.389 3.005 20 5 FGBDLN Cn1ccnc1Sc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000481570334 501818587 /nfs/dbraw/zinc/81/85/87/501818587.db2.gz NCKKVEMAIVQDTN-UHFFFAOYSA-N 0 2 370.390 3.437 20 5 FGBDLN CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000471040781 501899649 /nfs/dbraw/zinc/89/96/49/501899649.db2.gz LMBBWDMHSPCWIO-UHFFFAOYSA-N 0 2 364.361 3.125 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(Cl)cc2C)c1C ZINC000461219095 502043168 /nfs/dbraw/zinc/04/31/68/502043168.db2.gz PLHFPTLHLZBJOI-UHFFFAOYSA-N 0 2 355.803 3.369 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000478682310 502056960 /nfs/dbraw/zinc/05/69/60/502056960.db2.gz PHBKNIFESBBIQM-JTQLQIEISA-N 0 2 350.400 3.008 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000478707496 502064508 /nfs/dbraw/zinc/06/45/08/502064508.db2.gz YTNOLMZLSXNYHB-MRVPVSSYSA-N 0 2 356.429 3.069 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cccc3ccn(C)c32)cc1[N+](=O)[O-] ZINC000471581690 502072936 /nfs/dbraw/zinc/07/29/36/502072936.db2.gz QNWWWQNEGMZCPW-UHFFFAOYSA-N 0 2 351.409 3.257 20 5 FGBDLN O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)Nc1ccccc1Cl ZINC000478974845 502133582 /nfs/dbraw/zinc/13/35/82/502133582.db2.gz GAFKNFMTDOIMAG-UHFFFAOYSA-N 0 2 374.740 3.185 20 5 FGBDLN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc(OC)c1OC ZINC000478979429 502133785 /nfs/dbraw/zinc/13/37/85/502133785.db2.gz JYFPSSFCGPVLSS-UHFFFAOYSA-N 0 2 373.321 3.043 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000479114255 502167469 /nfs/dbraw/zinc/16/74/69/502167469.db2.gz HTPOFAUKSGZFDW-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000479116793 502168988 /nfs/dbraw/zinc/16/89/88/502168988.db2.gz VZBLLLYVMNMAJH-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000479127228 502171104 /nfs/dbraw/zinc/17/11/04/502171104.db2.gz GWYUGVAAZFRMTA-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1cc(N2CCC[C@H](C3N=NC(=O)O3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950010 502249990 /nfs/dbraw/zinc/24/99/90/502249990.db2.gz WVXAUPXCMXHPSI-VIFPVBQESA-N 0 2 372.303 3.395 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC000486807415 502270814 /nfs/dbraw/zinc/27/08/14/502270814.db2.gz FPFPNWVGIQHKDO-UHFFFAOYSA-N 0 2 360.753 3.193 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000480217306 502504739 /nfs/dbraw/zinc/50/47/39/502504739.db2.gz MCUDQNTYNNTYKO-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c1[N+](=O)[O-] ZINC000480243378 502511102 /nfs/dbraw/zinc/51/11/02/502511102.db2.gz UYMBXHCVHUCTCZ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000480246324 502511900 /nfs/dbraw/zinc/51/19/00/502511900.db2.gz YPVUCVMALINNMB-GFCCVEGCSA-N 0 2 366.443 3.488 20 5 FGBDLN C[C@H](C(=O)c1ccc2c(c1)CCC2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477060757 502665963 /nfs/dbraw/zinc/66/59/63/502665963.db2.gz UJFDCMFSNNYMFS-GFCCVEGCSA-N 0 2 359.403 3.129 20 5 FGBDLN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490379587 503165374 /nfs/dbraw/zinc/16/53/74/503165374.db2.gz ULJHKBVPKVXOCK-UHFFFAOYSA-N 0 2 367.365 3.014 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cccnc2OC(C)C)cc1[N+](=O)[O-] ZINC000491603470 503323693 /nfs/dbraw/zinc/32/36/93/503323693.db2.gz DAWINJSIBIHEMO-UHFFFAOYSA-N 0 2 365.411 3.195 20 5 FGBDLN CCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1F ZINC000507582637 503327006 /nfs/dbraw/zinc/32/70/06/503327006.db2.gz KPESYAWDBYFRRY-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000511497311 503332870 /nfs/dbraw/zinc/33/28/70/503332870.db2.gz XETNLDUCEBDPPW-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000507683756 503347475 /nfs/dbraw/zinc/34/74/75/503347475.db2.gz LZDKFZFUVBLUOB-UHFFFAOYSA-N 0 2 357.366 3.081 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1(C(F)(F)F)CCC1 ZINC000546172745 503654305 /nfs/dbraw/zinc/65/43/05/503654305.db2.gz MYGILCFEZPYIKZ-UHFFFAOYSA-N 0 2 358.725 3.012 20 5 FGBDLN Cn1ccnc1Sc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000536870307 503745624 /nfs/dbraw/zinc/74/56/24/503745624.db2.gz LWCNMMWIKOZURF-UHFFFAOYSA-N 0 2 370.390 3.437 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c(C)ccnc21 ZINC000518869355 504082047 /nfs/dbraw/zinc/08/20/47/504082047.db2.gz GXJKMUZRGCSNOA-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC(C)C ZINC000545472747 504498524 /nfs/dbraw/zinc/49/85/24/504498524.db2.gz ZYHDZBBMAPCYRD-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN CC(C)(C)c1cnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000539597564 504619880 /nfs/dbraw/zinc/61/98/80/504619880.db2.gz OZPGYKJHSFZMCN-UHFFFAOYSA-N 0 2 369.468 3.333 20 5 FGBDLN O=C(Nc1ccc(Br)cc1O)c1ccc([N+](=O)[O-])cc1O ZINC000542946005 504669355 /nfs/dbraw/zinc/66/93/55/504669355.db2.gz DBUWCRAMHQWFOF-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN CCOC(=O)c1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(F)cc1C ZINC000557121685 505071765 /nfs/dbraw/zinc/07/17/65/505071765.db2.gz PAASIPDVZLKLCU-UHFFFAOYSA-N 0 2 362.313 3.177 20 5 FGBDLN O=C(CCCc1ccc2c(c1)OCCCO2)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000599750220 506616476 /nfs/dbraw/zinc/61/64/76/506616476.db2.gz HBWPBOYCGOBCOM-UHFFFAOYSA-N 0 2 372.377 3.423 20 5 FGBDLN COc1cc(CN(C)C(=O)c2cccc(O)c2[N+](=O)[O-])ccc1SC ZINC000583251522 506676907 /nfs/dbraw/zinc/67/69/07/506676907.db2.gz LOGQXRHYQFNYER-UHFFFAOYSA-N 0 2 362.407 3.303 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000603975856 506678180 /nfs/dbraw/zinc/67/81/80/506678180.db2.gz JMTSPGRNQAXIQF-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000603982931 506679879 /nfs/dbraw/zinc/67/98/79/506679879.db2.gz VSOSFNMUZPJQKU-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN Cc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000603982680 506680375 /nfs/dbraw/zinc/68/03/75/506680375.db2.gz PMCCIXVXMSDZDR-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734156 506752474 /nfs/dbraw/zinc/75/24/74/506752474.db2.gz XAGVXCHVXUAOTO-ACJLOTCBSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734156 506752480 /nfs/dbraw/zinc/75/24/80/506752480.db2.gz XAGVXCHVXUAOTO-ACJLOTCBSA-N 0 2 356.378 3.255 20 5 FGBDLN CC1(C)C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2cc(F)ccc2O1 ZINC000593816324 506787178 /nfs/dbraw/zinc/78/71/78/506787178.db2.gz WVJGLAMZZHEULA-AWEZNQCLSA-N 0 2 360.341 3.472 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C2CCC2)cn1 ZINC000590742862 506932952 /nfs/dbraw/zinc/93/29/52/506932952.db2.gz SJCXARYKAILMIG-UHFFFAOYSA-N 0 2 363.395 3.067 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3)cc2)c([N+](=O)[O-])c1 ZINC000609795881 507004003 /nfs/dbraw/zinc/00/40/03/507004003.db2.gz GDMVYMGRQTZPKF-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)nn1 ZINC000613972731 507321572 /nfs/dbraw/zinc/32/15/72/507321572.db2.gz PTIZVFHVXHLERU-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610638761 507327978 /nfs/dbraw/zinc/32/79/78/507327978.db2.gz LOKLRCQDSNYLEU-OCAPTIKFSA-N 0 2 372.221 3.113 20 5 FGBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1CC(C)C ZINC000611132362 507528598 /nfs/dbraw/zinc/52/85/98/507528598.db2.gz KLWQCEZDRMCPKF-UHFFFAOYSA-N 0 2 366.443 3.119 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598734841 507574027 /nfs/dbraw/zinc/57/40/27/507574027.db2.gz PHZOTYKENJQEDZ-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Nc2ncccn2)c1 ZINC000611294811 507608961 /nfs/dbraw/zinc/60/89/61/507608961.db2.gz WWJAOXJMGQWAML-UHFFFAOYSA-N 0 2 351.322 3.086 20 5 FGBDLN Nc1c(Cl)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000007708686 695575423 /nfs/dbraw/zinc/57/54/23/695575423.db2.gz HGOYIUMVBQODMV-UHFFFAOYSA-N 0 2 362.194 3.285 20 5 FGBDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000153007171 704982077 /nfs/dbraw/zinc/98/20/77/704982077.db2.gz MMMXDLJDVPVFCX-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1C(C)=O ZINC000783875592 724798989 /nfs/dbraw/zinc/79/89/89/724798989.db2.gz BJRFNKQJOZWTAH-UHFFFAOYSA-N 0 2 366.370 3.300 20 5 FGBDLN Cc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)s1 ZINC000761901129 723194144 /nfs/dbraw/zinc/19/41/44/723194144.db2.gz PYMITSSMSQDDQH-UHFFFAOYSA-N 0 2 361.832 3.431 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2scnc2C2CC2)cc([N+](=O)[O-])c1F ZINC000768281618 723652602 /nfs/dbraw/zinc/65/26/02/723652602.db2.gz FFGBSUQBESIOFX-UHFFFAOYSA-N 0 2 357.388 3.177 20 5 FGBDLN CSc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000808569617 725207465 /nfs/dbraw/zinc/20/74/65/725207465.db2.gz LQAAICXTNUNTMP-UHFFFAOYSA-N 0 2 359.816 3.166 20 5 FGBDLN COc1ccc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000007323411 204295385 /nfs/dbraw/zinc/29/53/85/204295385.db2.gz MWYOXBYZPZUPFE-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006328371 493959451 /nfs/dbraw/zinc/95/94/51/493959451.db2.gz YLWLHBQBQWLBGL-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000069444832 493971944 /nfs/dbraw/zinc/97/19/44/493971944.db2.gz WVMWNTWHOIMJCX-UHFFFAOYSA-N 0 2 368.374 3.494 20 5 FGBDLN O=C(Nc1cccc(Cl)c1O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000077011152 494008442 /nfs/dbraw/zinc/00/84/42/494008442.db2.gz VSDHXULNNCPMIS-UHFFFAOYSA-N 0 2 359.725 3.048 20 5 FGBDLN COc1ccccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000007373236 494018721 /nfs/dbraw/zinc/01/87/21/494018721.db2.gz XRSOANLEEKGKCA-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000086170946 494143174 /nfs/dbraw/zinc/14/31/74/494143174.db2.gz ZAKVLQJEZCOOFG-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000086170946 494143178 /nfs/dbraw/zinc/14/31/78/494143178.db2.gz ZAKVLQJEZCOOFG-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN COc1ccc(Cl)cc1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531639 494322097 /nfs/dbraw/zinc/32/20/97/494322097.db2.gz RTOCJEOCNPRPET-UHFFFAOYSA-N 0 2 365.773 3.403 20 5 FGBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000055589964 494368953 /nfs/dbraw/zinc/36/89/53/494368953.db2.gz BMHKKTXYOTXLRB-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN Cn1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121172337 494630028 /nfs/dbraw/zinc/63/00/28/494630028.db2.gz BLGMSOBXVVTXSQ-HNNXBMFYSA-N 0 2 366.425 3.098 20 5 FGBDLN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127820844 495004131 /nfs/dbraw/zinc/00/41/31/495004131.db2.gz WSAAAOOIPDTTCG-UHFFFAOYSA-N 0 2 369.830 3.423 20 5 FGBDLN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC000118493711 495006100 /nfs/dbraw/zinc/00/61/00/495006100.db2.gz JKPUKEPUZWCHSY-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000134311373 495133655 /nfs/dbraw/zinc/13/36/55/495133655.db2.gz ULRKKFZMAYJYKI-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000129389943 495238791 /nfs/dbraw/zinc/23/87/91/495238791.db2.gz QVMJYEIBJZQKPT-INIZCTEOSA-N 0 2 356.378 3.122 20 5 FGBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2[nH]1 ZINC000130128763 495345282 /nfs/dbraw/zinc/34/52/82/495345282.db2.gz VBTGVIDSVIVWDV-MRXNPFEDSA-N 0 2 354.366 3.304 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000179507977 495619461 /nfs/dbraw/zinc/61/94/61/495619461.db2.gz VSHQTWNHYVJEON-GOSISDBHSA-N 0 2 374.368 3.025 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179510580 495620564 /nfs/dbraw/zinc/62/05/64/495620564.db2.gz YBBDBXRDMILDQU-CYBMUJFWSA-N 0 2 372.352 3.175 20 5 FGBDLN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000185584008 495632663 /nfs/dbraw/zinc/63/26/63/495632663.db2.gz KCDNEXRMWWSGKO-SUMWQHHRSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000176585691 495709036 /nfs/dbraw/zinc/70/90/36/495709036.db2.gz ZEUVSZVULZTITK-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN O=C(NCCn1ccc2cc(Cl)ccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000580634546 505803099 /nfs/dbraw/zinc/80/30/99/505803099.db2.gz HUVORPLYAYCVEG-UHFFFAOYSA-N 0 2 359.769 3.339 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185974714 495804835 /nfs/dbraw/zinc/80/48/35/495804835.db2.gz DBFMJOHVGFHRAM-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160204267 495908197 /nfs/dbraw/zinc/90/81/97/495908197.db2.gz APCFVWIDZBLEMW-UHFFFAOYSA-N 0 2 357.366 3.144 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2nccc3sccc32)ccc1[N+](=O)[O-] ZINC000160929486 496068999 /nfs/dbraw/zinc/06/89/99/496068999.db2.gz CFVRHCJZMWIMFQ-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183900526 496154461 /nfs/dbraw/zinc/15/44/61/496154461.db2.gz IVYBUIFZHRNFAW-QMMMGPOBSA-N 0 2 354.721 3.499 20 5 FGBDLN COc1ccc(N2CC(=O)C(C(=O)Nc3cccc([N+](=O)[O-])c3C)=N2)cc1 ZINC000180882261 496184810 /nfs/dbraw/zinc/18/48/10/496184810.db2.gz PHCMBJLPUBTRBX-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000181203234 496310735 /nfs/dbraw/zinc/31/07/35/496310735.db2.gz FIMAQQCHHJHKFX-UHFFFAOYSA-N 0 2 354.771 3.252 20 5 FGBDLN Cc1cccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162327405 496335805 /nfs/dbraw/zinc/33/58/05/496335805.db2.gz XZDDFMLKMUQVCN-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000181333653 496356612 /nfs/dbraw/zinc/35/66/12/496356612.db2.gz HAFFAGXDXQEVAC-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000184811776 496542191 /nfs/dbraw/zinc/54/21/91/496542191.db2.gz FSBBQTZKWWMMLC-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1Br ZINC000164858346 496635817 /nfs/dbraw/zinc/63/58/17/496635817.db2.gz GFKLUECRCBSYBP-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000182092200 496667278 /nfs/dbraw/zinc/66/72/78/496667278.db2.gz QNQLMEBNJKCLBJ-CQSZACIVSA-N 0 2 354.362 3.178 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000182139884 496685491 /nfs/dbraw/zinc/68/54/91/496685491.db2.gz PTMAJRFVEKMTQT-KSSFIOAISA-N 0 2 374.368 3.168 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277761862 496878230 /nfs/dbraw/zinc/87/82/30/496878230.db2.gz KKVJKWBVIPMIEH-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000194650331 497729801 /nfs/dbraw/zinc/72/98/01/497729801.db2.gz BRDVDEWECRADBO-UHFFFAOYSA-N 0 2 374.777 3.338 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1C1CCCC1 ZINC000194669609 497734893 /nfs/dbraw/zinc/73/48/93/497734893.db2.gz YCBJXICQYJEZNZ-UHFFFAOYSA-N 0 2 350.400 3.016 20 5 FGBDLN CCOc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365190726 498343694 /nfs/dbraw/zinc/34/36/94/498343694.db2.gz IOMWSVWLIHSOER-OAHLLOKOSA-N 0 2 358.442 3.182 20 5 FGBDLN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000331535197 498363981 /nfs/dbraw/zinc/36/39/81/498363981.db2.gz LHVZZUSKMSJXDP-INIZCTEOSA-N 0 2 356.378 3.293 20 5 FGBDLN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]2C ZINC000332504135 498705383 /nfs/dbraw/zinc/70/53/83/498705383.db2.gz FDNZLSNJFCMRIG-VXGBXAGGSA-N 0 2 356.378 3.457 20 5 FGBDLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000322411301 498817465 /nfs/dbraw/zinc/81/74/65/498817465.db2.gz SBTNAYRCILNVQN-UHFFFAOYSA-N 0 2 358.807 3.070 20 5 FGBDLN CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000284049633 499037785 /nfs/dbraw/zinc/03/77/85/499037785.db2.gz SUPZXIFWDCOMJV-UHFFFAOYSA-N 0 2 364.358 3.110 20 5 FGBDLN CC(=O)N1CCSc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc21 ZINC000367138983 499153476 /nfs/dbraw/zinc/15/34/76/499153476.db2.gz ULERTLUAJJDBBR-UHFFFAOYSA-N 0 2 373.390 3.011 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000367594527 499215819 /nfs/dbraw/zinc/21/58/19/499215819.db2.gz LONYLLAIRIJWIT-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000367754863 499231045 /nfs/dbraw/zinc/23/10/45/499231045.db2.gz XWRPEFPNBZBURQ-YXJHDRRASA-N 0 2 370.405 3.382 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccn3)cn2)ccc1[N+](=O)[O-] ZINC000371258018 499303140 /nfs/dbraw/zinc/30/31/40/499303140.db2.gz KGHDKZDCMOQNES-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CCc1ccc(N2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000375686041 499545107 /nfs/dbraw/zinc/54/51/07/499545107.db2.gz YLARWXIMKXWLAZ-UHFFFAOYSA-N 0 2 369.421 3.262 20 5 FGBDLN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376007523 499575713 /nfs/dbraw/zinc/57/57/13/499575713.db2.gz IEHNMAYXXITGNI-LLVKDONJSA-N 0 2 361.423 3.257 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2ncccc2c1 ZINC000410406753 499660733 /nfs/dbraw/zinc/66/07/33/499660733.db2.gz VMEMZHRFYQZKDO-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN COc1cccc(C)c1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414378653 499783363 /nfs/dbraw/zinc/78/33/63/499783363.db2.gz DWBREFSXEMHJGV-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000414477376 499797185 /nfs/dbraw/zinc/79/71/85/499797185.db2.gz LXVXXJNVIZLLLB-JTQLQIEISA-N 0 2 360.741 3.113 20 5 FGBDLN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579496228 506189076 /nfs/dbraw/zinc/18/90/76/506189076.db2.gz AKDITWXJOIPPRS-CXAGYDPISA-N 0 2 372.425 3.327 20 5 FGBDLN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579496228 506189080 /nfs/dbraw/zinc/18/90/80/506189080.db2.gz AKDITWXJOIPPRS-CXAGYDPISA-N 0 2 372.425 3.327 20 5 FGBDLN CC(C)(C)c1nc(=NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])s[nH]1 ZINC000432810003 500566700 /nfs/dbraw/zinc/56/67/00/500566700.db2.gz ZOLFRZNBJNZUBK-UHFFFAOYSA-N 0 2 363.443 3.223 20 5 FGBDLN COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436957369 500579436 /nfs/dbraw/zinc/57/94/36/500579436.db2.gz XEOJBYNWYHTSTM-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN Cn1ccnc1Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436962801 500579870 /nfs/dbraw/zinc/57/98/70/500579870.db2.gz FJNISUCWQKKREG-UHFFFAOYSA-N 0 2 370.390 3.437 20 5 FGBDLN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436966032 500581971 /nfs/dbraw/zinc/58/19/71/500581971.db2.gz UFWFUIJZPHCTNN-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN CCc1ccc(O)c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000433501000 500705421 /nfs/dbraw/zinc/70/54/21/500705421.db2.gz YZCQAJQSABCIGQ-UHFFFAOYSA-N 0 2 350.396 3.280 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1CCC(C)C ZINC000440815548 501051900 /nfs/dbraw/zinc/05/19/00/501051900.db2.gz VDNGTXLYWJNOHC-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000436666510 501182214 /nfs/dbraw/zinc/18/22/14/501182214.db2.gz UDXHFQRZMXISNC-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc(Cl)c1O ZINC000436713671 501194631 /nfs/dbraw/zinc/19/46/31/501194631.db2.gz RHORDWLXKAVUDO-UHFFFAOYSA-N 0 2 352.749 3.408 20 5 FGBDLN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]2C ZINC000436716064 501195230 /nfs/dbraw/zinc/19/52/30/501195230.db2.gz RQOKHECLBXEVPV-RYUDHWBXSA-N 0 2 356.378 3.457 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000436753500 501205383 /nfs/dbraw/zinc/20/53/83/501205383.db2.gz VOYPIQVUIXILPN-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436799144 501213054 /nfs/dbraw/zinc/21/30/54/501213054.db2.gz XDKJGGKBPLYLIO-GFCCVEGCSA-N 0 2 368.311 3.451 20 5 FGBDLN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867459 501223995 /nfs/dbraw/zinc/22/39/95/501223995.db2.gz COIYYRMUNWLKTR-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2Cl)n[nH]1 ZINC000436894688 501228561 /nfs/dbraw/zinc/22/85/61/501228561.db2.gz RNNVUSHFTUAIFI-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000474388146 501817547 /nfs/dbraw/zinc/81/75/47/501817547.db2.gz ILWSGQOJLAVCAV-UHFFFAOYSA-N 0 2 372.349 3.348 20 5 FGBDLN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000485436823 501821140 /nfs/dbraw/zinc/82/11/40/501821140.db2.gz NVGCLNBWARXUNA-QFYYESIMSA-N 0 2 364.785 3.460 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ncc(-c3ccccc3)cn2)ccc1[N+](=O)[O-] ZINC000481873939 501905076 /nfs/dbraw/zinc/90/50/76/501905076.db2.gz WLSFBRFVJFFNMO-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000481979362 501934855 /nfs/dbraw/zinc/93/48/55/501934855.db2.gz HXNNTAOSEXRUTN-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000478468489 501992295 /nfs/dbraw/zinc/99/22/95/501992295.db2.gz OGZCVCHJYXDERN-NSHDSACASA-N 0 2 371.176 3.071 20 5 FGBDLN O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]=c2[n-]nc3ccccn32)s1 ZINC000475079935 502047632 /nfs/dbraw/zinc/04/76/32/502047632.db2.gz ITSFZQLIYXFIFJ-UHFFFAOYSA-N 0 2 351.391 3.400 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)[nH]n1 ZINC000471521812 502053784 /nfs/dbraw/zinc/05/37/84/502053784.db2.gz IFTXNAHREGFIJS-UHFFFAOYSA-N 0 2 352.416 3.024 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3N3CCCCC3)no2)cc1O ZINC000479006527 502139437 /nfs/dbraw/zinc/13/94/37/502139437.db2.gz NJFXVBSTANIFQQ-UHFFFAOYSA-N 0 2 367.365 3.403 20 5 FGBDLN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469512071 502447053 /nfs/dbraw/zinc/44/70/53/502447053.db2.gz MRMUIDDXBUKIEK-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN COc1cccc(-c2nc(=NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s[nH]2)c1 ZINC000476316417 502454111 /nfs/dbraw/zinc/45/41/11/502454111.db2.gz MCJVJJIBPZHOSF-UHFFFAOYSA-N 0 2 370.390 3.105 20 5 FGBDLN COc1ccc2c(c1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])CCC2 ZINC000480222650 502505780 /nfs/dbraw/zinc/50/57/80/502505780.db2.gz WIJWMDOQRCVYCB-UHFFFAOYSA-N 0 2 362.407 3.201 20 5 FGBDLN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505187449 502866415 /nfs/dbraw/zinc/86/64/15/502866415.db2.gz MXBLEUCKKUQGCT-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OCC2CC2)c1 ZINC000510041898 503036566 /nfs/dbraw/zinc/03/65/66/503036566.db2.gz LRLCUMRRJJMRAE-UHFFFAOYSA-N 0 2 356.378 3.328 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000507606699 503331077 /nfs/dbraw/zinc/33/10/77/503331077.db2.gz QDQWXVZEPCHBSW-UHFFFAOYSA-N 0 2 372.761 3.391 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000499504403 503420678 /nfs/dbraw/zinc/42/06/78/503420678.db2.gz RBXDWPWZVNVTRE-UHFFFAOYSA-N 0 2 366.370 3.421 20 5 FGBDLN CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccn1 ZINC000511987151 503429528 /nfs/dbraw/zinc/42/95/28/503429528.db2.gz FCPYNZFLGFDNNO-CYBMUJFWSA-N 0 2 373.409 3.439 20 5 FGBDLN Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000494450658 503544022 /nfs/dbraw/zinc/54/40/22/503544022.db2.gz DPGYHJFKVGEGGE-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cncnc1-c1ccccc1 ZINC000494539167 503560324 /nfs/dbraw/zinc/56/03/24/503560324.db2.gz ZZLFLDMTUFVMBI-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ncccc2OC(F)F)c1 ZINC000543644593 503839591 /nfs/dbraw/zinc/83/95/91/503839591.db2.gz KYJKQQXLUXRPOY-UHFFFAOYSA-N 0 2 373.337 3.009 20 5 FGBDLN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000538335308 504211063 /nfs/dbraw/zinc/21/10/63/504211063.db2.gz GQFSOXQRZSIZCY-AWEZNQCLSA-N 0 2 373.384 3.147 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000547803607 504232163 /nfs/dbraw/zinc/23/21/63/504232163.db2.gz LHLQYADWPFRHIV-UHFFFAOYSA-N 0 2 370.405 3.491 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc3[nH]ncc3c(C)c2)c1 ZINC000541806383 504260280 /nfs/dbraw/zinc/26/02/80/504260280.db2.gz LTNNRSFEFUKQNM-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN CC(C)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C(F)F)n1 ZINC000534954185 504291897 /nfs/dbraw/zinc/29/18/97/504291897.db2.gz DOQXQRKRHSNLAE-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN COc1ccnc2c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cccc12 ZINC000535053084 504328281 /nfs/dbraw/zinc/32/82/81/504328281.db2.gz HBVNFHQTKBTCHG-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C)c([N+](=O)[O-])c1 ZINC000535703888 504512195 /nfs/dbraw/zinc/51/21/95/504512195.db2.gz XYOKQRWWPOEYGR-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000539409831 504562309 /nfs/dbraw/zinc/56/23/09/504562309.db2.gz FZAVYTMBAHSIOJ-SFHVURJKSA-N 0 2 363.373 3.347 20 5 FGBDLN COCCOc1c(Cl)cccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539462979 504580183 /nfs/dbraw/zinc/58/01/83/504580183.db2.gz WGNISPCZCXKLPM-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC000539465126 504581483 /nfs/dbraw/zinc/58/14/83/504581483.db2.gz FGWCCNWAWRFKTD-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN CC(=O)c1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000536222239 504671701 /nfs/dbraw/zinc/67/17/01/504671701.db2.gz STHRWYAKAUKVBZ-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN O=C(c1cccc(Br)c1O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000539859295 504719829 /nfs/dbraw/zinc/71/98/29/504719829.db2.gz GWUNZIYBIDDKLZ-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN Cc1n[nH]c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1-c1ccccc1 ZINC000559709595 504912206 /nfs/dbraw/zinc/91/22/06/504912206.db2.gz TUOMJJHOBGMXGN-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CC1(C)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OCc1ccccc1 ZINC000560647041 505152645 /nfs/dbraw/zinc/15/26/45/505152645.db2.gz SCVVPXRPOARJTG-MSOLQXFVSA-N 0 2 370.405 3.414 20 5 FGBDLN O=C(NCCn1ccc2cc(Cl)ccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000560994997 505225322 /nfs/dbraw/zinc/22/53/22/505225322.db2.gz GESNJBQAZKPZCO-UHFFFAOYSA-N 0 2 359.769 3.339 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000567052175 505349084 /nfs/dbraw/zinc/34/90/84/505349084.db2.gz PZMTYWUVFUCEPA-UHFFFAOYSA-N 0 2 356.382 3.290 20 5 FGBDLN O=C([O-])c1cc(NCc2cc[nH+]c(N3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000555379360 505421780 /nfs/dbraw/zinc/42/17/80/505421780.db2.gz DNZFQQAJJZLSPD-UHFFFAOYSA-N 0 2 356.382 3.290 20 5 FGBDLN CC(=O)c1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)ccc1[N+](=O)[O-] ZINC000562232930 505546049 /nfs/dbraw/zinc/54/60/49/505546049.db2.gz BWUHPIOYLPWJGV-UHFFFAOYSA-N 0 2 358.379 3.144 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000612422918 506573349 /nfs/dbraw/zinc/57/33/49/506573349.db2.gz RNGLXHYUJNSEJE-OAHLLOKOSA-N 0 2 370.361 3.049 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000599750329 506616731 /nfs/dbraw/zinc/61/67/31/506616731.db2.gz JMLKKTCMZJTYMR-UHFFFAOYSA-N 0 2 370.287 3.104 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000603978507 506677332 /nfs/dbraw/zinc/67/73/32/506677332.db2.gz OWSSIYLCOWFKLT-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000608875645 506733707 /nfs/dbraw/zinc/73/37/07/506733707.db2.gz PUHBFEQOAIKZSD-LLVKDONJSA-N 0 2 366.395 3.112 20 5 FGBDLN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n2)cc1 ZINC000609516298 506907103 /nfs/dbraw/zinc/90/71/03/506907103.db2.gz NPXKOTQLPYJJQF-UHFFFAOYSA-N 0 2 354.370 3.258 20 5 FGBDLN CCOCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCc2ccccc21 ZINC000600444867 506957560 /nfs/dbraw/zinc/95/75/60/506957560.db2.gz LBCFWBPYYWEIKC-QGZVFWFLSA-N 0 2 370.405 3.467 20 5 FGBDLN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1Cl ZINC000613994191 507327445 /nfs/dbraw/zinc/32/74/45/507327445.db2.gz FWHNSOXRKNDDON-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(C)C ZINC000592382502 507630001 /nfs/dbraw/zinc/63/00/01/507630001.db2.gz PAYCKTFKKDUAEC-LBPRGKRZSA-N 0 2 370.349 3.026 20 5 FGBDLN C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806299 601906348 /nfs/dbraw/zinc/90/63/48/601906348.db2.gz KWYGIXDMJSDBEK-HNNXBMFYSA-N 0 2 372.274 3.409 20 5 FGBDLN C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806299 601906350 /nfs/dbraw/zinc/90/63/50/601906350.db2.gz KWYGIXDMJSDBEK-HNNXBMFYSA-N 0 2 372.274 3.409 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000120095031 700647959 /nfs/dbraw/zinc/64/79/59/700647959.db2.gz SOMKCISSSCLNCE-UHFFFAOYSA-N 0 2 363.760 3.019 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cs1 ZINC000120148970 700649320 /nfs/dbraw/zinc/64/93/20/700649320.db2.gz BSBDDUFKNBSVQN-UHFFFAOYSA-N 0 2 368.314 3.356 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000619620983 714857759 /nfs/dbraw/zinc/85/77/59/714857759.db2.gz YDYWHZWYOSKCBT-UHFFFAOYSA-N 0 2 366.370 3.421 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC000780715200 724493906 /nfs/dbraw/zinc/49/39/06/724493906.db2.gz HZMQEVVMQLBPIV-UHFFFAOYSA-N 0 2 358.322 3.342 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000742027836 722551437 /nfs/dbraw/zinc/55/14/37/722551437.db2.gz JNINITRQIUTEPX-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1C ZINC000795378753 723586329 /nfs/dbraw/zinc/58/63/29/723586329.db2.gz CXQFVWPWKLCKQY-NSHDSACASA-N 0 2 368.386 3.205 20 5 FGBDLN CCCOC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768868021 723670336 /nfs/dbraw/zinc/67/03/36/723670336.db2.gz WWVFKWWGZWSYTQ-UHFFFAOYSA-N 0 2 370.408 3.024 20 5 FGBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(O)c1 ZINC000799930774 724115051 /nfs/dbraw/zinc/11/50/51/724115051.db2.gz ZZGHXKMETZEKPB-UHFFFAOYSA-N 0 2 356.425 3.460 20 5 FGBDLN O=C1N=NC([C@@H]2CCCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)O1 ZINC000786551759 724988428 /nfs/dbraw/zinc/98/84/28/724988428.db2.gz RZFHMLOJRSNFOQ-SSDOTTSWSA-N 0 2 359.169 3.374 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1C ZINC000808111809 725184153 /nfs/dbraw/zinc/18/41/53/725184153.db2.gz RGSWHGCIIBFNBG-UHFFFAOYSA-N 0 2 371.802 3.151 20 5 FGBDLN CC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000811717721 725378085 /nfs/dbraw/zinc/37/80/85/725378085.db2.gz UBNCMIQJHVAOEL-UHFFFAOYSA-N 0 2 358.379 3.144 20 5 FGBDLN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841138735 730215779 /nfs/dbraw/zinc/21/57/79/730215779.db2.gz GWGWOQOZNBQPSK-XTWCZFFVSA-N 0 2 369.208 3.403 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cc(Cl)ccc2OCC(F)(F)F)no1 ZINC000842495074 730508807 /nfs/dbraw/zinc/50/88/07/730508807.db2.gz KQXHDKUYKQAXAI-VXNVDRBHSA-N 0 2 363.679 3.464 20 5 FGBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000866282910 733332405 /nfs/dbraw/zinc/33/24/05/733332405.db2.gz PODCKPZRTVVOHG-ZDUSSCGKSA-N 0 2 367.274 3.180 20 5 FGBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000866284133 733332824 /nfs/dbraw/zinc/33/28/24/733332824.db2.gz KIVFLHYZTCQZQV-CYBMUJFWSA-N 0 2 367.274 3.180 20 5 FGBDLN CC1(C)CC(=O)c2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2O1 ZINC000375925723 257426128 /nfs/dbraw/zinc/42/61/28/257426128.db2.gz YPDKMAGKJPWRQG-UHFFFAOYSA-N 0 2 356.334 3.297 20 5 FGBDLN O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060689554 493952204 /nfs/dbraw/zinc/95/22/04/493952204.db2.gz JIRKIGCDBWAKPK-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000032097152 493975358 /nfs/dbraw/zinc/97/53/58/493975358.db2.gz SKJUKFQYVDYQTR-UHFFFAOYSA-N 0 2 359.363 3.414 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)s1 ZINC000063912552 494097436 /nfs/dbraw/zinc/09/74/36/494097436.db2.gz VMDDRXHGVJMTDI-UHFFFAOYSA-N 0 2 351.365 3.112 20 5 FGBDLN O=C(CCCOc1ccc(F)cc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000089530872 494321612 /nfs/dbraw/zinc/32/16/12/494321612.db2.gz XUMITPDASDPGLU-UHFFFAOYSA-N 0 2 352.293 3.376 20 5 FGBDLN CC(C)(C)c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000018151287 494426829 /nfs/dbraw/zinc/42/68/29/494426829.db2.gz WXUUJHDMOJGNRS-UHFFFAOYSA-N 0 2 358.394 3.407 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CCCC2)n[nH]1 ZINC000126810583 494841972 /nfs/dbraw/zinc/84/19/72/494841972.db2.gz SFSSDIFSCBUCKX-UHFFFAOYSA-N 0 2 350.400 3.085 20 5 FGBDLN CC(C)c1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000127035053 494883493 /nfs/dbraw/zinc/88/34/93/494883493.db2.gz KEGXWONKROXAEL-UHFFFAOYSA-N 0 2 358.383 3.212 20 5 FGBDLN COc1ccc(C)cc1-n1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000124944577 495367490 /nfs/dbraw/zinc/36/74/90/495367490.db2.gz OWYFIXAAQJLMDI-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000140044731 495487793 /nfs/dbraw/zinc/48/77/93/495487793.db2.gz OMQQLTCUIIGBBX-AWEZNQCLSA-N 0 2 370.361 3.049 20 5 FGBDLN COc1ccc(Br)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185426843 495573167 /nfs/dbraw/zinc/57/31/67/495573167.db2.gz VNOOCXBLZYTIJL-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179413086 495581598 /nfs/dbraw/zinc/58/15/98/495581598.db2.gz YJWIQYZMERNHKY-UHFFFAOYSA-N 0 2 371.393 3.100 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000150867492 495661210 /nfs/dbraw/zinc/66/12/10/495661210.db2.gz UDHCWHJEDBEBAM-UHFFFAOYSA-N 0 2 366.370 3.324 20 5 FGBDLN CCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000176677029 495743711 /nfs/dbraw/zinc/74/37/11/495743711.db2.gz IMFOINBYTNVXAJ-UHFFFAOYSA-N 0 2 372.834 3.191 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000186022270 495824630 /nfs/dbraw/zinc/82/46/30/495824630.db2.gz ZQHRUYVMCXMIEK-UHFFFAOYSA-N 0 2 360.276 3.017 20 5 FGBDLN CCCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc21 ZINC000186094075 495853606 /nfs/dbraw/zinc/85/36/06/495853606.db2.gz PAVQBPYCWIYFTP-UHFFFAOYSA-N 0 2 369.377 3.242 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000186625129 496078403 /nfs/dbraw/zinc/07/84/03/496078403.db2.gz HLXCJZXYXYOKFP-UHFFFAOYSA-N 0 2 354.359 3.075 20 5 FGBDLN O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183917778 496159668 /nfs/dbraw/zinc/15/96/68/496159668.db2.gz PJSPAPRUUDPYIH-UHFFFAOYSA-N 0 2 352.350 3.057 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1-c1ccccc1 ZINC000152598591 496198769 /nfs/dbraw/zinc/19/87/69/496198769.db2.gz KWOHYCMQJXDSIY-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000162503830 496363006 /nfs/dbraw/zinc/36/30/06/496363006.db2.gz ARQLJKXQJFHZGQ-NSHDSACASA-N 0 2 357.366 3.081 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000184543988 496432087 /nfs/dbraw/zinc/43/20/87/496432087.db2.gz PLXVIFHSNOBCDO-DYVFJYSZSA-N 0 2 374.393 3.402 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000187536854 496481448 /nfs/dbraw/zinc/48/14/48/496481448.db2.gz ABIUORWBRREYKZ-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN COc1ccccc1CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184737045 496512641 /nfs/dbraw/zinc/51/26/41/496512641.db2.gz OCLVCTSXIAQZGU-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN CSc1c(F)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000181752005 496529685 /nfs/dbraw/zinc/52/96/85/496529685.db2.gz AXBZIMIZIISTBW-UHFFFAOYSA-N 0 2 360.363 3.396 20 5 FGBDLN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)n1 ZINC000187763117 496562002 /nfs/dbraw/zinc/56/20/02/496562002.db2.gz LLYVTTVVMCLOGZ-UHFFFAOYSA-N 0 2 368.349 3.474 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000163932249 496571813 /nfs/dbraw/zinc/57/18/13/496571813.db2.gz QTVUKRHKAZLEBJ-UHFFFAOYSA-N 0 2 364.351 3.367 20 5 FGBDLN CCO[C@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cs1 ZINC000182058258 496653045 /nfs/dbraw/zinc/65/30/45/496653045.db2.gz YUXXLBUIXYZYNR-SNVBAGLBSA-N 0 2 365.411 3.127 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000158283575 496667759 /nfs/dbraw/zinc/66/77/59/496667759.db2.gz JSWLXAUAOJWODU-AWEZNQCLSA-N 0 2 362.769 3.247 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000182116156 496675338 /nfs/dbraw/zinc/67/53/38/496675338.db2.gz FGHSLWOFWRJVAU-CXAGYDPISA-N 0 2 374.393 3.402 20 5 FGBDLN COc1ccc(-n2nc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2C)cc1 ZINC000166137099 496678126 /nfs/dbraw/zinc/67/81/26/496678126.db2.gz YFOAGNBUSQYKLZ-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273207631 496739730 /nfs/dbraw/zinc/73/97/30/496739730.db2.gz LAISLPLQNWSRGH-MRXNPFEDSA-N 0 2 366.377 3.164 20 5 FGBDLN CCOc1cccc2[nH]cc(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)c21 ZINC000188642331 496862327 /nfs/dbraw/zinc/86/23/27/496862327.db2.gz WPSZAGPMQHZHIO-UHFFFAOYSA-N 0 2 355.350 3.362 20 5 FGBDLN CO[C@@H](C)c1nc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cs1 ZINC000277819539 496899477 /nfs/dbraw/zinc/89/94/77/496899477.db2.gz HOOWYHSJJJSMOT-QMMMGPOBSA-N 0 2 362.367 3.105 20 5 FGBDLN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189512282 497145391 /nfs/dbraw/zinc/14/53/91/497145391.db2.gz SHIGBKZPBGSLRH-IBGZPJMESA-N 0 2 358.394 3.104 20 5 FGBDLN C[C@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000572098375 505888859 /nfs/dbraw/zinc/88/88/59/505888859.db2.gz IBEXMMCBNPHHQJ-JTQLQIEISA-N 0 2 355.329 3.261 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1C1CCCC1 ZINC000194223942 497607060 /nfs/dbraw/zinc/60/70/60/497607060.db2.gz VINLNYNJLSQSLJ-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN O=C(N[C@H](c1ccc(F)cc1)c1cccnc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000365214148 498354485 /nfs/dbraw/zinc/35/44/85/498354485.db2.gz SSQHJHQPVIWWTL-GOSISDBHSA-N 0 2 367.336 3.354 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000579051875 506082655 /nfs/dbraw/zinc/08/26/55/506082655.db2.gz AHGFKFVGEILMAT-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000319804753 498805180 /nfs/dbraw/zinc/80/51/80/498805180.db2.gz JRFSQUUOOIJDFM-UHFFFAOYSA-N 0 2 354.771 3.252 20 5 FGBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000326573039 498845267 /nfs/dbraw/zinc/84/52/67/498845267.db2.gz WZQWKLPDOOSCTF-QMMMGPOBSA-N 0 2 360.313 3.052 20 5 FGBDLN O=C(c1cccs1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367538131 499210142 /nfs/dbraw/zinc/21/01/42/499210142.db2.gz LTUIEOXUZJMWGR-UHFFFAOYSA-N 0 2 360.391 3.097 20 5 FGBDLN Cc1ccc(-c2cnccn2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000373721356 499484924 /nfs/dbraw/zinc/48/49/24/499484924.db2.gz SODXIAKKAVCKCB-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OCc2ccccc2)CC1 ZINC000375629777 499539437 /nfs/dbraw/zinc/53/94/37/499539437.db2.gz JQOQOWQNFRSTOT-UHFFFAOYSA-N 0 2 356.378 3.122 20 5 FGBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCN(c2ccc(F)cc2)CC1 ZINC000375635455 499539906 /nfs/dbraw/zinc/53/99/06/499539906.db2.gz DDUINCMBOBCGFA-UHFFFAOYSA-N 0 2 373.384 3.181 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000410402213 499660492 /nfs/dbraw/zinc/66/04/92/499660492.db2.gz IFUCQWYQZBBWPK-UHFFFAOYSA-N 0 2 358.322 3.073 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000410410619 499661119 /nfs/dbraw/zinc/66/11/19/499661119.db2.gz YSHGSDINOFHQHY-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN Cc1ccc(-c2nc(CCNC(=O)c3cc(O)ccc3[N+](=O)[O-])co2)cc1 ZINC000377777166 499731843 /nfs/dbraw/zinc/73/18/43/499731843.db2.gz DGBCXELSQCAZDB-UHFFFAOYSA-N 0 2 367.361 3.236 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nn1C(C)C ZINC000421176989 499983822 /nfs/dbraw/zinc/98/38/22/499983822.db2.gz UHRBULPOEMOROP-UHFFFAOYSA-N 0 2 372.834 3.443 20 5 FGBDLN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000436967224 500581649 /nfs/dbraw/zinc/58/16/49/500581649.db2.gz PTSVYCXIIBUTQM-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000436968772 500582751 /nfs/dbraw/zinc/58/27/51/500582751.db2.gz VKEXFOBCTKQMDU-IAGOWNOFSA-N 0 2 360.341 3.090 20 5 FGBDLN Cc1ccnc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)n1 ZINC000436987606 500587497 /nfs/dbraw/zinc/58/74/97/500587497.db2.gz IJRVWJPBATZIKN-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000447654515 500640402 /nfs/dbraw/zinc/64/04/02/500640402.db2.gz RXLUWFUZYWOTHQ-UHFFFAOYSA-N 0 2 358.354 3.003 20 5 FGBDLN O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000443984990 500787565 /nfs/dbraw/zinc/78/75/65/500787565.db2.gz XHCBLWKPDHMAOS-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1SC ZINC000444061126 500798255 /nfs/dbraw/zinc/79/82/55/500798255.db2.gz YZXPYVYFAQRHID-UHFFFAOYSA-N 0 2 368.436 3.264 20 5 FGBDLN COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000434747657 500888404 /nfs/dbraw/zinc/88/84/04/500888404.db2.gz PKIFADXHBNLUMA-PXNSSMCTSA-N 0 2 370.453 3.123 20 5 FGBDLN COc1ccc(OC)c(CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)c1 ZINC000436512108 501143710 /nfs/dbraw/zinc/14/37/10/501143710.db2.gz JQIMCAVNWKQOTF-UHFFFAOYSA-N 0 2 372.377 3.122 20 5 FGBDLN Cn1c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2[nH+]c1C1CC1 ZINC000436560133 501156640 /nfs/dbraw/zinc/15/66/40/501156640.db2.gz DLYHHAWLILGYDJ-UHFFFAOYSA-N 0 2 352.350 3.317 20 5 FGBDLN COc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436615741 501169732 /nfs/dbraw/zinc/16/97/32/501169732.db2.gz FSSJUPKUMRFUDJ-GOSISDBHSA-N 0 2 368.345 3.421 20 5 FGBDLN Cc1ccc(-c2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3O)co2)cc1 ZINC000436669137 501184187 /nfs/dbraw/zinc/18/41/87/501184187.db2.gz HAUPFAAATAXTNJ-UHFFFAOYSA-N 0 2 353.334 3.194 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)[C@H]1C[C@H]1C ZINC000436740472 501201589 /nfs/dbraw/zinc/20/15/89/501201589.db2.gz QURLRMPXXBDPNB-DIFFPNOSSA-N 0 2 369.377 3.314 20 5 FGBDLN CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436750830 501204282 /nfs/dbraw/zinc/20/42/82/501204282.db2.gz HMIRVCOFVAMRME-LLVKDONJSA-N 0 2 360.366 3.199 20 5 FGBDLN COc1ccc(CNC(=O)c2cc(F)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000436774922 501209403 /nfs/dbraw/zinc/20/94/03/501209403.db2.gz OIQPTNIJQHZUMY-UHFFFAOYSA-N 0 2 354.721 3.032 20 5 FGBDLN O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cc([N+](=O)[O-])ccc1O ZINC000436815040 501215717 /nfs/dbraw/zinc/21/57/17/501215717.db2.gz UFXDWRKRNPFSJY-SFHVURJKSA-N 0 2 368.389 3.124 20 5 FGBDLN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)O1 ZINC000436868490 501224505 /nfs/dbraw/zinc/22/45/05/501224505.db2.gz JSNJEBBNRHVNEL-CHWSQXEVSA-N 0 2 371.393 3.166 20 5 FGBDLN Cc1ccc(-c2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)co2)cc1 ZINC000436872307 501225106 /nfs/dbraw/zinc/22/51/06/501225106.db2.gz MBCNWFDKJVGVDY-UHFFFAOYSA-N 0 2 353.334 3.194 20 5 FGBDLN O=C(NCc1c(Cl)cccc1-n1ccnc1)c1ccc([N+](=O)[O-])cc1O ZINC000436914305 501231872 /nfs/dbraw/zinc/23/18/72/501231872.db2.gz YRQWQCWBVOAXJG-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)ccc1[N+](=O)[O-] ZINC000451051107 501242184 /nfs/dbraw/zinc/24/21/84/501242184.db2.gz REAIDPJTKDAPRS-UHFFFAOYSA-N 0 2 363.395 3.067 20 5 FGBDLN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454968177 501663514 /nfs/dbraw/zinc/66/35/14/501663514.db2.gz FMBLKKGJJMVFJY-OAHLLOKOSA-N 0 2 367.409 3.096 20 5 FGBDLN Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000463790885 501823013 /nfs/dbraw/zinc/82/30/13/501823013.db2.gz PDZSPCNKLQBFOR-UHFFFAOYSA-N 0 2 364.408 3.017 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C2CCCCC2)n[nH]1 ZINC000474436113 501836237 /nfs/dbraw/zinc/83/62/37/501836237.db2.gz UURFEJZZLGQNKI-UHFFFAOYSA-N 0 2 364.427 3.475 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000476261668 502434719 /nfs/dbraw/zinc/43/47/19/502434719.db2.gz RXIFQHPITDVRLE-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c1[N+](=O)[O-] ZINC000480246010 502511556 /nfs/dbraw/zinc/51/15/56/502511556.db2.gz JYIJOHICXJUEQR-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 ZINC000466474410 502580992 /nfs/dbraw/zinc/58/09/92/502580992.db2.gz ONLRWRMEEMZUMR-UHFFFAOYSA-N 0 2 372.406 3.144 20 5 FGBDLN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000505202097 502869327 /nfs/dbraw/zinc/86/93/27/502869327.db2.gz BJLULIWCBSACLX-WMZOPIPTSA-N 0 2 372.377 3.235 20 5 FGBDLN Cn1cc(Oc2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000513604204 502977966 /nfs/dbraw/zinc/97/79/66/502977966.db2.gz HERJADRRXUCTSM-UHFFFAOYSA-N 0 2 354.322 3.079 20 5 FGBDLN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000509841620 502995997 /nfs/dbraw/zinc/99/59/97/502995997.db2.gz WCLXQLJKXBUKMI-OAHLLOKOSA-N 0 2 373.384 3.147 20 5 FGBDLN COCCOc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509842942 502996796 /nfs/dbraw/zinc/99/67/96/502996796.db2.gz OZZDGXBVWRXVKM-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN COc1ccc([C@H]2C[C@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1F ZINC000506289867 503087487 /nfs/dbraw/zinc/08/74/87/503087487.db2.gz NRRHHAARQXZVTK-JOCQHMNTSA-N 0 2 360.341 3.124 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1OC ZINC000506996044 503208840 /nfs/dbraw/zinc/20/88/40/503208840.db2.gz ZILQQVLYSUATNZ-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 ZINC000491059347 503267280 /nfs/dbraw/zinc/26/72/80/503267280.db2.gz ZPMMGUXBBQBLIY-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C ZINC000491610185 503324252 /nfs/dbraw/zinc/32/42/52/503324252.db2.gz OHWOHMKUJUAYEV-LBPRGKRZSA-N 0 2 366.443 3.488 20 5 FGBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000503113544 503349339 /nfs/dbraw/zinc/34/93/39/503349339.db2.gz BRSRRHNTXJDRGL-UHFFFAOYSA-N 0 2 358.423 3.439 20 5 FGBDLN O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000493872483 503450469 /nfs/dbraw/zinc/45/04/69/503450469.db2.gz KNWPXDVGIAAZIF-UHFFFAOYSA-N 0 2 367.877 3.183 20 5 FGBDLN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508412083 503490039 /nfs/dbraw/zinc/49/00/39/503490039.db2.gz NMHDLFMGMRABMI-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN CO[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000499877532 503500010 /nfs/dbraw/zinc/50/00/10/503500010.db2.gz OSUIHBWENSZGRJ-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000503967721 503500712 /nfs/dbraw/zinc/50/07/12/503500712.db2.gz JKXICOLHBUFTDK-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)CCC2)cc1 ZINC000543338349 503729949 /nfs/dbraw/zinc/72/99/49/503729949.db2.gz GJZUSGIXLNKXJQ-UHFFFAOYSA-N 0 2 356.378 3.161 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(SC)c2C)c([N+](=O)[O-])c1 ZINC000540290316 503730078 /nfs/dbraw/zinc/73/00/78/503730078.db2.gz DDHOOFHVNLGTJH-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN Cc1cc(C)n(-c2cccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])c2)n1 ZINC000540480588 503784383 /nfs/dbraw/zinc/78/43/83/503784383.db2.gz OYRQRIWJOWGWDB-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CN(C)c1ccc2cc(NC(=O)c3cccc(O)c3[N+](=O)[O-])ccc2n1 ZINC000537246096 503855858 /nfs/dbraw/zinc/85/58/58/503855858.db2.gz FIKWFPQUTZLTIN-UHFFFAOYSA-N 0 2 352.350 3.167 20 5 FGBDLN C[C@@H](C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc([N+](=O)[O-])cc1F ZINC000544429948 504131929 /nfs/dbraw/zinc/13/19/29/504131929.db2.gz IMFUIVQCCDQOTF-MRVPVSSYSA-N 0 2 352.391 3.047 20 5 FGBDLN CC(C)c1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000534669531 504210432 /nfs/dbraw/zinc/21/04/32/504210432.db2.gz HJYYRCDCVUMBCU-UHFFFAOYSA-N 0 2 360.395 3.395 20 5 FGBDLN O=C(Nc1cc(F)cc(Cl)c1O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000548106777 504332196 /nfs/dbraw/zinc/33/21/96/504332196.db2.gz DVMUIDKXVJZMLU-UHFFFAOYSA-N 0 2 354.677 3.074 20 5 FGBDLN CCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1C ZINC000538756964 504359995 /nfs/dbraw/zinc/35/99/95/504359995.db2.gz LGUQXLKSGRPHDN-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN CCCc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000535388246 504421274 /nfs/dbraw/zinc/42/12/74/504421274.db2.gz NWIJAFCPJIAFNJ-UHFFFAOYSA-N 0 2 360.395 3.224 20 5 FGBDLN COc1c(C)c[nH+]c(CN(C)c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC000565038027 504778143 /nfs/dbraw/zinc/77/81/43/504778143.db2.gz IIHBXHWPBHQEEA-UHFFFAOYSA-N 0 2 359.382 3.258 20 5 FGBDLN Cc1ccc(NCCCNc2nc(C(F)(F)F)ns2)c([N+](=O)[O-])c1 ZINC000553082050 504822601 /nfs/dbraw/zinc/82/26/01/504822601.db2.gz OKBFGDDWVFCULL-UHFFFAOYSA-N 0 2 361.349 3.110 20 5 FGBDLN O=C(Nc1ccc2nn[nH]c2c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000560197815 505017726 /nfs/dbraw/zinc/01/77/26/505017726.db2.gz ANYZBHNASWLLGS-UHFFFAOYSA-N 0 2 351.244 3.137 20 5 FGBDLN Cc1cc(Br)c(O)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000556971736 505035340 /nfs/dbraw/zinc/03/53/40/505035340.db2.gz IGQUGGGUQJKBBW-UHFFFAOYSA-N 0 2 367.155 3.329 20 5 FGBDLN O=C(Nc1cc(Cl)c(O)cc1F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000557949443 505270022 /nfs/dbraw/zinc/27/00/22/505270022.db2.gz HQZFJBCGWCEWAN-UHFFFAOYSA-N 0 2 350.693 3.222 20 5 FGBDLN CCCOc1cc(C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000603982874 506679718 /nfs/dbraw/zinc/67/97/18/506679718.db2.gz UBFPZBFUJIVACS-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN COc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1F ZINC000600775609 507114613 /nfs/dbraw/zinc/11/46/13/507114613.db2.gz KICUTUUVCLVJAO-GFCCVEGCSA-N 0 2 360.341 3.078 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)c(C)c1[N+](=O)[O-] ZINC000598714759 507564859 /nfs/dbraw/zinc/56/48/59/507564859.db2.gz RQEFVPFMWYCHEW-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(SC)cc1 ZINC000611278325 507601693 /nfs/dbraw/zinc/60/16/93/507601693.db2.gz GSSIOVGCMKLJTD-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN COc1ccc2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])sc2c1 ZINC000003102097 669943607 /nfs/dbraw/zinc/94/36/07/669943607.db2.gz MDRSNLKXFUFREE-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c2cccnc12 ZINC000120055815 700646801 /nfs/dbraw/zinc/64/68/01/700646801.db2.gz LFFWPXOTGXWHBG-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)cc1 ZINC000525368988 714346718 /nfs/dbraw/zinc/34/67/18/714346718.db2.gz UUAJQHZGHKCDIO-UHFFFAOYSA-N 0 2 366.370 3.324 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC000782261443 724645071 /nfs/dbraw/zinc/64/50/71/724645071.db2.gz LPRFJBFTLXEEHG-UHFFFAOYSA-N 0 2 370.770 3.086 20 5 FGBDLN CC(C)(C)c1cnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000743048557 722563492 /nfs/dbraw/zinc/56/34/92/722563492.db2.gz SXVUOZXTRBITTK-UHFFFAOYSA-N 0 2 359.404 3.289 20 5 FGBDLN O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F ZINC000756364610 722963487 /nfs/dbraw/zinc/96/34/87/722963487.db2.gz OSKULZPQYMHAHT-AWEZNQCLSA-N 0 2 356.712 3.442 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)c1F ZINC000760345117 723050611 /nfs/dbraw/zinc/05/06/11/723050611.db2.gz SYFVPNJFSZGPBD-UHFFFAOYSA-N 0 2 363.370 3.335 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC000790416768 723137889 /nfs/dbraw/zinc/13/78/89/723137889.db2.gz DAYZOWMNGFZAAY-JTQLQIEISA-N 0 2 370.406 3.319 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000766049476 723552842 /nfs/dbraw/zinc/55/28/42/723552842.db2.gz UZYMQEJZRLJMRM-UHFFFAOYSA-N 0 2 365.411 3.134 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c2ncccc12 ZINC000769896569 723699452 /nfs/dbraw/zinc/69/94/52/723699452.db2.gz XCQROXXBPYDHLC-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccnn2C2CCCCC2)c1 ZINC000799529618 724039951 /nfs/dbraw/zinc/03/99/51/724039951.db2.gz LTVUOCWNLXXIHA-UHFFFAOYSA-N 0 2 350.400 3.097 20 5 FGBDLN CCc1nc(C)c(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000777662031 724248844 /nfs/dbraw/zinc/24/88/44/724248844.db2.gz XUVRTRXDAGHBES-UHFFFAOYSA-N 0 2 359.404 3.170 20 5 FGBDLN CC(C)(C)OC(=O)N1CCCCC[C@H]1c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000841741467 730269756 /nfs/dbraw/zinc/26/97/56/730269756.db2.gz YURMDFMUISZZIE-GRYCIOLGSA-N 0 2 352.391 3.054 20 5 FGBDLN CC(C)(Cc1cccc(Br)c1)c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842507698 730511020 /nfs/dbraw/zinc/51/10/20/730511020.db2.gz YEQGUIGLHDKBJK-VXGBXAGGSA-N 0 2 366.215 3.485 20 5 FGBDLN CCCN(C)c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000863450521 732965277 /nfs/dbraw/zinc/96/52/77/732965277.db2.gz LESFDAMWHKTWPY-UHFFFAOYSA-N 0 2 355.441 3.303 20 5 FGBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000920585438 758577385 /nfs/dbraw/zinc/57/73/85/758577385.db2.gz QJELWIAJPPZMGX-SECBINFHSA-N 0 2 363.351 3.328 20 5 FGBDLN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000057558036 493773558 /nfs/dbraw/zinc/77/35/58/493773558.db2.gz UNFNUDAJKOQVRM-OAHLLOKOSA-N 0 2 356.378 3.156 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2O)c1C ZINC000078002199 494212235 /nfs/dbraw/zinc/21/22/35/494212235.db2.gz UKTGQNZBDGQQDE-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531291 494321898 /nfs/dbraw/zinc/32/18/98/494321898.db2.gz HEHUXYCWNUOCBC-UHFFFAOYSA-N 0 2 366.377 3.284 20 5 FGBDLN COc1ccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c(C)nc2c1 ZINC000089531807 494321940 /nfs/dbraw/zinc/32/19/40/494321940.db2.gz NJORSZDKXMLQHF-UHFFFAOYSA-N 0 2 353.334 3.418 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531087 494322195 /nfs/dbraw/zinc/32/21/95/494322195.db2.gz DOFIQJCIENZAMX-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc1 ZINC000116603832 494823790 /nfs/dbraw/zinc/82/37/90/494823790.db2.gz XXTZBSVBELSNKH-UHFFFAOYSA-N 0 2 373.843 3.474 20 5 FGBDLN Cc1ncc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)o1 ZINC000026540087 494830704 /nfs/dbraw/zinc/83/07/04/494830704.db2.gz ZUNIOWWSBZAXNB-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN CN(Cc1csc(Br)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000133245738 494989106 /nfs/dbraw/zinc/98/91/06/494989106.db2.gz VPQIJONRPLHOPQ-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cc1C ZINC000135963438 495346183 /nfs/dbraw/zinc/34/61/83/495346183.db2.gz HACQJQZHGITTBB-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2cccc3ccc(C)nc32)ccc1[N+](=O)[O-] ZINC000124871932 495357081 /nfs/dbraw/zinc/35/70/81/495357081.db2.gz PAZJGFSGJIUXNP-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000179464009 495601205 /nfs/dbraw/zinc/60/12/05/495601205.db2.gz ZHIPPSMTHOEKDV-MRXNPFEDSA-N 0 2 374.368 3.261 20 5 FGBDLN CCc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000176505492 495676338 /nfs/dbraw/zinc/67/63/38/495676338.db2.gz OADHEEPOSQNLAM-UHFFFAOYSA-N 0 2 356.787 3.317 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-] ZINC000182749071 495687427 /nfs/dbraw/zinc/68/74/27/495687427.db2.gz MHHUTSKIXJCWIX-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN COc1ccc(Br)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000185729427 495700993 /nfs/dbraw/zinc/70/09/93/495700993.db2.gz GPKICBRWKYYJSC-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c1C ZINC000176599465 495715525 /nfs/dbraw/zinc/71/55/25/495715525.db2.gz QQACHQXPSFUSAS-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182831868 495719560 /nfs/dbraw/zinc/71/95/60/495719560.db2.gz QDKKXLZLWLJLBV-BBRMVZONSA-N 0 2 362.769 3.214 20 5 FGBDLN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184418788 496375581 /nfs/dbraw/zinc/37/55/81/496375581.db2.gz FTJLSTVCGSGWSP-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187558573 496489677 /nfs/dbraw/zinc/48/96/77/496489677.db2.gz LUNGSEYDVWOKAO-UHFFFAOYSA-N 0 2 370.340 3.245 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000153576201 496503841 /nfs/dbraw/zinc/50/38/41/496503841.db2.gz HJNGHSWAXNZGEX-UHFFFAOYSA-N 0 2 374.378 3.008 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000184798284 496536256 /nfs/dbraw/zinc/53/62/56/496536256.db2.gz RQWWRHGCMMSDNS-GOSISDBHSA-N 0 2 374.368 3.025 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1C ZINC000187745831 496554331 /nfs/dbraw/zinc/55/43/31/496554331.db2.gz WQXNIFSHHQQZDI-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN CCc1nnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)o1 ZINC000175814361 496556002 /nfs/dbraw/zinc/55/60/02/496556002.db2.gz YBNJULAARAQLEL-UHFFFAOYSA-N 0 2 354.322 3.165 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000163928101 496570937 /nfs/dbraw/zinc/57/09/37/496570937.db2.gz LMQAOJUFHAWLFM-UHFFFAOYSA-N 0 2 362.816 3.428 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(Nc2ccccc2F)CC1 ZINC000158037590 496612429 /nfs/dbraw/zinc/61/24/29/496612429.db2.gz CWRIBIYICCYKSK-UHFFFAOYSA-N 0 2 359.357 3.156 20 5 FGBDLN O=C(N[C@@H](c1nccs1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000181982121 496623433 /nfs/dbraw/zinc/62/34/33/496623433.db2.gz BPUYJMRKSFMBSQ-OAHLLOKOSA-N 0 2 355.375 3.276 20 5 FGBDLN CCCN(CCC)C(=O)CCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166082650 496677045 /nfs/dbraw/zinc/67/70/45/496677045.db2.gz YBSXAPGSUKQSBD-UHFFFAOYSA-N 0 2 351.403 3.058 20 5 FGBDLN O=C(CCCOc1ccc(F)cc1F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166196394 496679665 /nfs/dbraw/zinc/67/96/65/496679665.db2.gz FRPWLKXGHOMLHX-UHFFFAOYSA-N 0 2 352.293 3.376 20 5 FGBDLN O=C(Cc1ccc(F)cc1Br)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000188329721 496754702 /nfs/dbraw/zinc/75/47/02/496754702.db2.gz HXNFCAHGUAVYTP-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000191917530 496930854 /nfs/dbraw/zinc/93/08/54/496930854.db2.gz XQACLDISAJCSSO-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=C(Nc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000231690341 497108909 /nfs/dbraw/zinc/10/89/09/497108909.db2.gz KZYLAULVCVWPOE-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c12 ZINC000271424308 497344539 /nfs/dbraw/zinc/34/45/39/497344539.db2.gz FOUATKZEDXAWFC-UHFFFAOYSA-N 0 2 367.365 3.020 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C(F)(F)F ZINC000578839659 506033122 /nfs/dbraw/zinc/03/31/22/506033122.db2.gz LRSUEKZHIXSGEX-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000363295615 498750232 /nfs/dbraw/zinc/75/02/32/498750232.db2.gz IUYLONHERZKZHC-UHFFFAOYSA-N 0 2 368.389 3.344 20 5 FGBDLN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000298813891 498886798 /nfs/dbraw/zinc/88/67/98/498886798.db2.gz ZTYBKTGZZUIYFB-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2ncccc2Cl)CC1 ZINC000372910818 499193649 /nfs/dbraw/zinc/19/36/49/499193649.db2.gz KANYXMAKQKYVDH-UHFFFAOYSA-N 0 2 361.785 3.369 20 5 FGBDLN COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723815 499359034 /nfs/dbraw/zinc/35/90/34/499359034.db2.gz NWAJNASUXRJJFU-YWZLYKJASA-N 0 2 371.437 3.092 20 5 FGBDLN COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723815 499359035 /nfs/dbraw/zinc/35/90/35/499359035.db2.gz NWAJNASUXRJJFU-YWZLYKJASA-N 0 2 371.437 3.092 20 5 FGBDLN COc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723814 499359069 /nfs/dbraw/zinc/35/90/69/499359069.db2.gz NWAJNASUXRJJFU-QRWLVFNGSA-N 0 2 371.437 3.092 20 5 FGBDLN COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723814 499359071 /nfs/dbraw/zinc/35/90/71/499359071.db2.gz NWAJNASUXRJJFU-QRWLVFNGSA-N 0 2 371.437 3.092 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000376062780 499579876 /nfs/dbraw/zinc/57/98/76/499579876.db2.gz VNNICLCTDACVEP-KSSFIOAISA-N 0 2 374.368 3.168 20 5 FGBDLN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377577218 499706091 /nfs/dbraw/zinc/70/60/91/499706091.db2.gz MEYNPJXCKAGBQX-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)c3ccc(C(F)F)cc3)c2c1 ZINC000576500465 506173036 /nfs/dbraw/zinc/17/30/36/506173036.db2.gz YTDPJZMNKMWBEG-UHFFFAOYSA-N 0 2 368.321 3.210 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C)cc1[N+](=O)[O-] ZINC000573370144 506182029 /nfs/dbraw/zinc/18/20/29/506182029.db2.gz VWYIZTPRKIJESR-UHFFFAOYSA-N 0 2 366.443 3.119 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1Cl ZINC000432643275 500543164 /nfs/dbraw/zinc/54/31/64/500543164.db2.gz JHQNODQSYRBMFJ-UHFFFAOYSA-N 0 2 362.816 3.428 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436938744 500575484 /nfs/dbraw/zinc/57/54/84/500575484.db2.gz MMADQVOLVFHKCA-DYVFJYSZSA-N 0 2 360.341 3.090 20 5 FGBDLN CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436949278 500576902 /nfs/dbraw/zinc/57/69/02/500576902.db2.gz RBYJFISTLYRXJG-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436957119 500579137 /nfs/dbraw/zinc/57/91/37/500579137.db2.gz VWIZUWLUDPWENV-UHFFFAOYSA-N 0 2 360.366 3.028 20 5 FGBDLN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436970503 500582430 /nfs/dbraw/zinc/58/24/30/500582430.db2.gz MCODCENDGBMMIE-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(C)cc(OC)c2C)c([N+](=O)[O-])c1 ZINC000447271999 500583293 /nfs/dbraw/zinc/58/32/93/500583293.db2.gz UDECGKGQGGZDJR-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CC(C)(C)OC(=O)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000436972710 500583563 /nfs/dbraw/zinc/58/35/63/500583563.db2.gz UTTCNVJMTKUBPS-UHFFFAOYSA-N 0 2 372.377 3.289 20 5 FGBDLN O=C(NCc1ccnc(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436986264 500586803 /nfs/dbraw/zinc/58/68/03/500586803.db2.gz QUXUYOORXZJFBV-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(OCC(F)F)n3)no2)cc1O ZINC000445260993 500962506 /nfs/dbraw/zinc/96/25/06/500962506.db2.gz NDYJAMJBSPHZAR-UHFFFAOYSA-N 0 2 364.264 3.056 20 5 FGBDLN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc([N+](=O)[O-])ccc1O ZINC000436630041 501173771 /nfs/dbraw/zinc/17/37/71/501173771.db2.gz YTZUWSAREYNKGS-MRXNPFEDSA-N 0 2 370.409 3.419 20 5 FGBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc2c(c1)OCCO2 ZINC000598946023 506238737 /nfs/dbraw/zinc/23/87/37/506238737.db2.gz OIDBYOMZVSQEGZ-GOSISDBHSA-N 0 2 372.377 3.199 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(OC(F)F)cc1 ZINC000436675760 501185741 /nfs/dbraw/zinc/18/57/41/501185741.db2.gz XAFRCMBGLITHLW-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1c(F)cccc1F ZINC000436851267 501221019 /nfs/dbraw/zinc/22/10/19/501221019.db2.gz KZIVSMDYRJLBNN-UHFFFAOYSA-N 0 2 374.303 3.325 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)c1 ZINC000436871174 501225158 /nfs/dbraw/zinc/22/51/58/501225158.db2.gz PYUNYUATTDMLCQ-MRXNPFEDSA-N 0 2 372.377 3.295 20 5 FGBDLN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(F)(F)F)cc1 ZINC000436918048 501232577 /nfs/dbraw/zinc/23/25/77/501232577.db2.gz GBBOBWUGNOXSDP-AWEZNQCLSA-N 0 2 370.283 3.342 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc1C1CC1 ZINC000451056291 501242394 /nfs/dbraw/zinc/24/23/94/501242394.db2.gz QIVDEQUPORBWHC-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(-c2ccccc2)cn1 ZINC000481875021 501905694 /nfs/dbraw/zinc/90/56/94/501905694.db2.gz ZSROVNAFFSTLNC-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COc1c(F)cc(F)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000471120632 501927112 /nfs/dbraw/zinc/92/71/12/501927112.db2.gz BFMNQWOBUPBPAN-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN CCOc1c(Cl)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000486053343 502031662 /nfs/dbraw/zinc/03/16/62/502031662.db2.gz QYRHMZIVYQVLFY-SNAWJCMRSA-N 0 2 367.745 3.027 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ncc(Cl)cc2C)c1 ZINC000461211221 502040531 /nfs/dbraw/zinc/04/05/31/502040531.db2.gz TZUAZVGCAIRDRX-UHFFFAOYSA-N 0 2 355.803 3.369 20 5 FGBDLN CCCc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000486118067 502052257 /nfs/dbraw/zinc/05/22/57/502052257.db2.gz IWNVYKLKKPUMAP-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000478703964 502063003 /nfs/dbraw/zinc/06/30/03/502063003.db2.gz YJHPWBOZZMRQLB-JTQLQIEISA-N 0 2 364.427 3.316 20 5 FGBDLN Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc([N+](=O)[O-])c1 ZINC000479767088 502371663 /nfs/dbraw/zinc/37/16/63/502371663.db2.gz ZVODRNSBPUKMRN-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN COc1ccc2c(c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C)CCC2 ZINC000480228104 502506561 /nfs/dbraw/zinc/50/65/61/502506561.db2.gz RHPAGPWARFJYSL-UHFFFAOYSA-N 0 2 362.407 3.201 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC(F)(F)F ZINC000462662807 502526557 /nfs/dbraw/zinc/52/65/57/502526557.db2.gz YKGBFNPMXVJGME-UHFFFAOYSA-N 0 2 367.132 3.132 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000484178394 502594004 /nfs/dbraw/zinc/59/40/04/502594004.db2.gz WOHADDVOVALZQI-UHFFFAOYSA-N 0 2 373.390 3.399 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1OC ZINC000480729524 502655369 /nfs/dbraw/zinc/65/53/69/502655369.db2.gz NOUPFACSGXWHAE-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473760069 502699981 /nfs/dbraw/zinc/69/99/81/502699981.db2.gz IWMHWXMTYUMRFQ-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN CCc1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])ccc1C ZINC000477222058 502711177 /nfs/dbraw/zinc/71/11/77/502711177.db2.gz LYUZMPRVCLPUAV-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1[nH+]ccn1Cc1ccccc1 ZINC000513471345 502947724 /nfs/dbraw/zinc/94/77/24/502947724.db2.gz ZXJOCMGIQPYBIX-VOTSOKGWSA-N 0 2 350.334 3.103 20 5 FGBDLN COc1ccc(C[C@@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000513477999 502948556 /nfs/dbraw/zinc/94/85/56/502948556.db2.gz AMPKTOAXYIOYGS-HNNXBMFYSA-N 0 2 370.405 3.404 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000509641943 502955423 /nfs/dbraw/zinc/95/54/23/502955423.db2.gz YWEPCJWTTKYCOO-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505792519 502987538 /nfs/dbraw/zinc/98/75/38/502987538.db2.gz IEMGYORXWPVMDD-MRXNPFEDSA-N 0 2 368.349 3.281 20 5 FGBDLN Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000490608897 503203182 /nfs/dbraw/zinc/20/31/82/503203182.db2.gz TUXMKLLCCODBIW-JTQLQIEISA-N 0 2 363.395 3.212 20 5 FGBDLN O=C(NCc1cc(F)cc(Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507732522 503357397 /nfs/dbraw/zinc/35/73/97/503357397.db2.gz NMWNPGKSKIJGGL-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503945135 503495364 /nfs/dbraw/zinc/49/53/64/503495364.db2.gz MBQJUAFLDFVIDU-GOEBONIOSA-N 0 2 362.769 3.214 20 5 FGBDLN O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509082408 503636967 /nfs/dbraw/zinc/63/69/67/503636967.db2.gz KPFWORBVWGENET-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]nc1-c1ccccc1 ZINC000536898864 503754460 /nfs/dbraw/zinc/75/44/60/503754460.db2.gz AGKRNXBGPXNYRV-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000540392748 503757165 /nfs/dbraw/zinc/75/71/65/503757165.db2.gz KCMCCYNWTXCEPP-UHFFFAOYSA-N 0 2 358.423 3.437 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1C ZINC000537196846 503836770 /nfs/dbraw/zinc/83/67/70/503836770.db2.gz UEFUKHOQTVKVQV-LBPRGKRZSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc12 ZINC000537651230 503991763 /nfs/dbraw/zinc/99/17/63/503991763.db2.gz FVFKRMGIOCPGEF-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000518472110 503995028 /nfs/dbraw/zinc/99/50/28/503995028.db2.gz YMBNIMPTAGHMAC-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000534055080 504027687 /nfs/dbraw/zinc/02/76/87/504027687.db2.gz QFLCFNVDTIDGLU-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN CC(C)NC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000534802708 504245409 /nfs/dbraw/zinc/24/54/09/504245409.db2.gz AUYYBOQBWKQZDA-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN COc1cccc(C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000541861500 504280255 /nfs/dbraw/zinc/28/02/55/504280255.db2.gz ZTFUQHSJBKQXNM-AWEZNQCLSA-N 0 2 356.378 3.156 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1[C@H](C)C1CC1 ZINC000542236131 504416617 /nfs/dbraw/zinc/41/66/17/504416617.db2.gz YWUWWVDSQQUGAF-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(O)c1[N+](=O)[O-] ZINC000539432281 504570479 /nfs/dbraw/zinc/57/04/79/504570479.db2.gz IPYJOJZUUIAKLK-UHFFFAOYSA-N 0 2 359.769 3.408 20 5 FGBDLN COc1ccc(C(=O)C[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000542767138 504601404 /nfs/dbraw/zinc/60/14/04/504601404.db2.gz XVMHILAHHYWJIV-LLVKDONJSA-N 0 2 358.350 3.157 20 5 FGBDLN COc1ccc(C(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000536191104 504661629 /nfs/dbraw/zinc/66/16/29/504661629.db2.gz HKELOTCLLPXPOW-UHFFFAOYSA-N 0 2 360.366 3.234 20 5 FGBDLN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000539933956 504742160 /nfs/dbraw/zinc/74/21/60/504742160.db2.gz BMDFMGGBTXFUDU-ZDUSSCGKSA-N 0 2 358.394 3.402 20 5 FGBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(F)c(O)c1F ZINC000557363739 505116893 /nfs/dbraw/zinc/11/68/93/505116893.db2.gz WALGTXBLWCZKTC-UHFFFAOYSA-N 0 2 354.284 3.032 20 5 FGBDLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551115463 505160980 /nfs/dbraw/zinc/16/09/80/505160980.db2.gz XAEKFFVMYQRHJV-UHFFFAOYSA-N 0 2 372.834 3.080 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1CCN=c1[nH]nc(C2CCOCC2)s1 ZINC000555158194 505366231 /nfs/dbraw/zinc/36/62/31/505366231.db2.gz AFYKIHIUZWVTOG-UHFFFAOYSA-N 0 2 368.846 3.070 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000552215833 505430974 /nfs/dbraw/zinc/43/09/74/505430974.db2.gz KVIUQUKTBGHRHU-LURJTMIESA-N 0 2 361.301 3.267 20 5 FGBDLN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000552591179 505519109 /nfs/dbraw/zinc/51/91/09/505519109.db2.gz MTCGLLHVBUXSAE-GOSISDBHSA-N 0 2 362.332 3.459 20 5 FGBDLN COc1cc2c(cc1Cl)CN(C(=O)c1cccc(O)c1[N+](=O)[O-])CC2 ZINC000590529958 506850546 /nfs/dbraw/zinc/85/05/46/506850546.db2.gz FVRPEIVWBCEAPQ-UHFFFAOYSA-N 0 2 362.769 3.161 20 5 FGBDLN CC(=O)c1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590597521 506873894 /nfs/dbraw/zinc/87/38/94/506873894.db2.gz JZVSXSVLVZHYBL-UHFFFAOYSA-N 0 2 352.343 3.046 20 5 FGBDLN CCOCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCc2ccccc21 ZINC000600451181 506959222 /nfs/dbraw/zinc/95/92/22/506959222.db2.gz ZPRDOOCGCXZBMW-GOSISDBHSA-N 0 2 370.405 3.467 20 5 FGBDLN O=C(N=c1cccn[nH]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000609861090 507027933 /nfs/dbraw/zinc/02/79/33/507027933.db2.gz NIGJTMBJNUYONV-UHFFFAOYSA-N 0 2 352.375 3.210 20 5 FGBDLN Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)nn1 ZINC000610354049 507210315 /nfs/dbraw/zinc/21/03/15/507210315.db2.gz OSIVFTRKAAUCRG-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610638760 507327572 /nfs/dbraw/zinc/32/75/72/507327572.db2.gz LOKLRCQDSNYLEU-HTQZYQBOSA-N 0 2 372.221 3.113 20 5 FGBDLN Cc1cc(N2C[C@@H](C(=O)[O-])CC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595972321 507753165 /nfs/dbraw/zinc/75/31/65/507753165.db2.gz AGKYIEPUIZFBET-JSGCOSHPSA-N 0 2 356.382 3.050 20 5 FGBDLN Cc1cc(N2C[C@@H](C(=O)[O-])CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595972323 507753404 /nfs/dbraw/zinc/75/34/04/507753404.db2.gz AGKYIEPUIZFBET-OCCSQVGLSA-N 0 2 356.382 3.050 20 5 FGBDLN Cc1ccc2nc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])sc2c1 ZINC000194331330 713518761 /nfs/dbraw/zinc/51/87/61/713518761.db2.gz WDZFDWLUXQCBKP-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000522358312 714184502 /nfs/dbraw/zinc/18/45/02/714184502.db2.gz YDODGAIEFSSQJR-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC000524854033 714305478 /nfs/dbraw/zinc/30/54/78/714305478.db2.gz ZNARXKMJADVLBC-UHFFFAOYSA-N 0 2 356.787 3.317 20 5 FGBDLN CCc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1F ZINC000619467826 714840255 /nfs/dbraw/zinc/84/02/55/714840255.db2.gz HTLODKKSGSEITH-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccnn2C2CCCC2)c1 ZINC000758152513 722985097 /nfs/dbraw/zinc/98/50/97/722985097.db2.gz ZOCGVOHWUQZKSZ-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3ocnc32)cc1[N+](=O)[O-] ZINC000790004921 723093662 /nfs/dbraw/zinc/09/36/62/723093662.db2.gz KNICZIXLCUYHHB-UHFFFAOYSA-N 0 2 367.770 3.499 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N(C)C)c(C)c2)c1[N+](=O)[O-] ZINC000790635783 723161512 /nfs/dbraw/zinc/16/15/12/723161512.db2.gz WHLSWHQRDLYHGF-UHFFFAOYSA-N 0 2 363.439 3.387 20 5 FGBDLN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795931863 723614454 /nfs/dbraw/zinc/61/44/54/723614454.db2.gz JUTKQTJAJRTZMH-RXMQYKEDSA-N 0 2 364.704 3.007 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2c[nH]c3ccc(Br)cc23)no1 ZINC000842492813 730508334 /nfs/dbraw/zinc/50/83/34/730508334.db2.gz MMHQFSAAEKWXEG-ZYHUDNBSSA-N 0 2 363.171 3.037 20 5 FGBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000866284134 733332844 /nfs/dbraw/zinc/33/28/44/733332844.db2.gz KIVFLHYZTCQZQV-ZDUSSCGKSA-N 0 2 367.274 3.180 20 5 FGBDLN COc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)c([N+](=O)[O-])cc1F ZINC000580140257 505685969 /nfs/dbraw/zinc/68/59/69/505685969.db2.gz FATBFZPMQDSUPO-UHFFFAOYSA-N 0 2 364.358 3.089 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000081731273 493948116 /nfs/dbraw/zinc/94/81/16/493948116.db2.gz TXTOIHZSUQHAEZ-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077025482 494010705 /nfs/dbraw/zinc/01/07/05/494010705.db2.gz FLLIDRGZVJTTIG-MGPLVRAMSA-N 0 2 364.785 3.460 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000053945593 494176100 /nfs/dbraw/zinc/17/61/00/494176100.db2.gz RKHQHYWKSYHDPW-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1Cc1ccccc1 ZINC000089531785 494321805 /nfs/dbraw/zinc/32/18/05/494321805.db2.gz IMOVRUOHZOGZQH-UHFFFAOYSA-N 0 2 352.350 3.106 20 5 FGBDLN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531169 494321925 /nfs/dbraw/zinc/32/19/25/494321925.db2.gz WQUMIPSCFYQXIQ-MRVPVSSYSA-N 0 2 354.721 3.499 20 5 FGBDLN O=C(Cc1csc(-c2ccccn2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531801 494322121 /nfs/dbraw/zinc/32/21/21/494322121.db2.gz AOUUMKXAAXNTDN-UHFFFAOYSA-N 0 2 356.363 3.000 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000055598382 494370481 /nfs/dbraw/zinc/37/04/81/494370481.db2.gz ACEKUSHQHRGPQP-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055644233 494380894 /nfs/dbraw/zinc/38/08/94/494380894.db2.gz KZVJNDVOQDURPZ-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000131338146 494587519 /nfs/dbraw/zinc/58/75/19/494587519.db2.gz MSNVMNKAANSUOQ-UHFFFAOYSA-N 0 2 364.785 3.495 20 5 FGBDLN COc1c(Cl)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000057123471 494648497 /nfs/dbraw/zinc/64/84/97/494648497.db2.gz HITRWCWTYQJTEK-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N(C)C)cc2C)cc1C ZINC000126305798 494704716 /nfs/dbraw/zinc/70/47/16/494704716.db2.gz PLGAQLMHIOFQBZ-UHFFFAOYSA-N 0 2 363.439 3.387 20 5 FGBDLN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000131785566 494730775 /nfs/dbraw/zinc/73/07/75/494730775.db2.gz LVZVZHFQKOOUIB-UHFFFAOYSA-N 0 2 357.366 3.081 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000108639790 494755229 /nfs/dbraw/zinc/75/52/29/494755229.db2.gz LTRBWXQQYDODPA-UHFFFAOYSA-N 0 2 366.443 3.026 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OCc2ccccc2F)CC1 ZINC000092055058 494771093 /nfs/dbraw/zinc/77/10/93/494771093.db2.gz VZXNOILTGMZUAS-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000116445182 494787835 /nfs/dbraw/zinc/78/78/35/494787835.db2.gz MRHPWRMSSFPELL-UHFFFAOYSA-N 0 2 368.345 3.442 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(-c2ccncc2)cs1 ZINC000126733637 494828229 /nfs/dbraw/zinc/82/82/29/494828229.db2.gz XPYMHYFSKDPHMH-JTQLQIEISA-N 0 2 370.390 3.310 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000126837074 494847109 /nfs/dbraw/zinc/84/71/09/494847109.db2.gz YRKRXSRPLUOXPF-UHFFFAOYSA-N 0 2 350.400 3.085 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117426393 494918998 /nfs/dbraw/zinc/91/89/98/494918998.db2.gz VTZJJCJLSNUZPN-UHFFFAOYSA-N 0 2 372.221 3.257 20 5 FGBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc12 ZINC000093909367 494934189 /nfs/dbraw/zinc/93/41/89/494934189.db2.gz RTHZAFCILRSXKD-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1[nH]nc2cc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc12 ZINC000093909367 494934192 /nfs/dbraw/zinc/93/41/92/494934192.db2.gz RTHZAFCILRSXKD-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000093930803 494936607 /nfs/dbraw/zinc/93/66/07/494936607.db2.gz MTOQCZDQEXTGPI-UHFFFAOYSA-N 0 2 372.349 3.129 20 5 FGBDLN O=c1nc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]c2ccsc21 ZINC000135232898 495266879 /nfs/dbraw/zinc/26/68/79/495266879.db2.gz VJPMXKADQFXYHS-UHFFFAOYSA-N 0 2 356.407 3.057 20 5 FGBDLN O=C(NCCCOc1cccc2cccnc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000113429410 495305058 /nfs/dbraw/zinc/30/50/58/495305058.db2.gz YSDOSSFHXMGXRK-UHFFFAOYSA-N 0 2 367.361 3.048 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000130590765 495415076 /nfs/dbraw/zinc/41/50/76/495415076.db2.gz RHLBEWHKSGMHTG-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC000170708125 495575805 /nfs/dbraw/zinc/57/58/05/495575805.db2.gz RECDQFNCJQQFMW-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)sc1C ZINC000185609690 495643277 /nfs/dbraw/zinc/64/32/77/495643277.db2.gz KOHLUAHIASRMBZ-UHFFFAOYSA-N 0 2 364.408 3.017 20 5 FGBDLN CC(C)c1csc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000182701395 495669773 /nfs/dbraw/zinc/66/97/73/495669773.db2.gz ZADKHDXULDSIEG-UHFFFAOYSA-N 0 2 355.441 3.159 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000176595648 495712943 /nfs/dbraw/zinc/71/29/43/495712943.db2.gz CRYZUBHYPRSGGK-UHFFFAOYSA-N 0 2 370.456 3.459 20 5 FGBDLN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160035843 495868543 /nfs/dbraw/zinc/86/85/43/495868543.db2.gz BFTVKCSWYZCDCU-UHFFFAOYSA-N 0 2 355.350 3.210 20 5 FGBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1n[nH]c2c1cccc2Cl ZINC000183385836 495958332 /nfs/dbraw/zinc/95/83/32/495958332.db2.gz MPFBCJOCCAHQMQ-UHFFFAOYSA-N 0 2 366.786 3.066 20 5 FGBDLN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183516338 496018049 /nfs/dbraw/zinc/01/80/49/496018049.db2.gz YOLXNCPTGDOXRA-UHFFFAOYSA-N 0 2 371.393 3.247 20 5 FGBDLN CN(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc2n1 ZINC000183517880 496018099 /nfs/dbraw/zinc/01/80/99/496018099.db2.gz ZRLDUVWYFLETEE-UHFFFAOYSA-N 0 2 352.350 3.167 20 5 FGBDLN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000156173013 496177784 /nfs/dbraw/zinc/17/77/84/496177784.db2.gz SZGUIGNHQZTSHK-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1ccc(C)cc1 ZINC000180880256 496183293 /nfs/dbraw/zinc/18/32/93/496183293.db2.gz OVJOVWQTTOWBEN-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000187156160 496317368 /nfs/dbraw/zinc/31/73/68/496317368.db2.gz YHVOJDYQXVIYBN-PIGZYNQJSA-N 0 2 360.341 3.042 20 5 FGBDLN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3O)nc2c1 ZINC000184306268 496329277 /nfs/dbraw/zinc/32/92/77/496329277.db2.gz SZUKTLUEXNKIKD-INIZCTEOSA-N 0 2 366.377 3.462 20 5 FGBDLN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3O)[nH]c2c1 ZINC000184306268 496329280 /nfs/dbraw/zinc/32/92/80/496329280.db2.gz SZUKTLUEXNKIKD-INIZCTEOSA-N 0 2 366.377 3.462 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1C ZINC000162373875 496344880 /nfs/dbraw/zinc/34/48/80/496344880.db2.gz NEAUVQJSULIRFJ-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(F)c(O)c(Cl)c1 ZINC000184522019 496422077 /nfs/dbraw/zinc/42/20/77/496422077.db2.gz KEYNOGJZGGGNHY-UHFFFAOYSA-N 0 2 350.693 3.222 20 5 FGBDLN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000184734097 496511812 /nfs/dbraw/zinc/51/18/12/496511812.db2.gz CGJZFCIKLMEYLM-UHFFFAOYSA-N 0 2 371.324 3.067 20 5 FGBDLN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000157709929 496535706 /nfs/dbraw/zinc/53/57/06/496535706.db2.gz DAXIZVWRVRFUJO-UHFFFAOYSA-N 0 2 369.377 3.065 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)c2ncccc12 ZINC000184838849 496551418 /nfs/dbraw/zinc/55/14/18/496551418.db2.gz CBRBQGNYBSJKMU-UHFFFAOYSA-N 0 2 368.374 3.425 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1-c1ncco1 ZINC000164686560 496627576 /nfs/dbraw/zinc/62/75/76/496627576.db2.gz WOZAPRPIYWHPOB-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ncc(-c2ccccc2)o1 ZINC000182039992 496645455 /nfs/dbraw/zinc/64/54/55/496645455.db2.gz AMEQPCDLNYFSHA-LLVKDONJSA-N 0 2 353.334 3.446 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000185317667 496728062 /nfs/dbraw/zinc/72/80/62/496728062.db2.gz IXNVAQVYCWTROA-AWEZNQCLSA-N 0 2 372.352 3.317 20 5 FGBDLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000194876811 496744734 /nfs/dbraw/zinc/74/47/34/496744734.db2.gz IJKQCCYPZVMXAX-UHFFFAOYSA-N 0 2 374.806 3.021 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000243893268 497362504 /nfs/dbraw/zinc/36/25/04/497362504.db2.gz RQTGFICILVFFFA-UHFFFAOYSA-N 0 2 356.787 3.199 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2ncsc2c1 ZINC000194157220 497589163 /nfs/dbraw/zinc/58/91/63/497589163.db2.gz ASSDZYUOYQSJIL-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000194225486 497606418 /nfs/dbraw/zinc/60/64/18/497606418.db2.gz CBCQXKSMSKQQMQ-UHFFFAOYSA-N 0 2 368.390 3.155 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000194226321 497608058 /nfs/dbraw/zinc/60/80/58/497608058.db2.gz SZIXFSYLRMTFOT-UHFFFAOYSA-N 0 2 350.400 3.016 20 5 FGBDLN CCOc1cc(CCCNC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1OC ZINC000280982319 497974211 /nfs/dbraw/zinc/97/42/11/497974211.db2.gz POUHYNHSXRXHHP-UHFFFAOYSA-N 0 2 374.393 3.070 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(-c4nnco4)cc3)no2)cc1O ZINC000350771685 498134067 /nfs/dbraw/zinc/13/40/67/498134067.db2.gz JUYKYHKQWWYIDP-UHFFFAOYSA-N 0 2 351.278 3.067 20 5 FGBDLN CCOc1cc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000365189131 498342157 /nfs/dbraw/zinc/34/21/57/498342157.db2.gz JUEMJDKXICEXIU-UHFFFAOYSA-N 0 2 370.453 3.489 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000290498299 498576175 /nfs/dbraw/zinc/57/61/75/498576175.db2.gz FCIFLYDRZZLLJT-AWEZNQCLSA-N 0 2 372.381 3.318 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000294259213 498636879 /nfs/dbraw/zinc/63/68/79/498636879.db2.gz UEKDSSOPROWXFM-BZNIZROVSA-N 0 2 369.377 3.314 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000298034282 498644621 /nfs/dbraw/zinc/64/46/21/498644621.db2.gz DWGAZTCFTIQEAT-IUODEOHRSA-N 0 2 362.407 3.090 20 5 FGBDLN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]2C ZINC000332527079 498713732 /nfs/dbraw/zinc/71/37/32/498713732.db2.gz PIWDHIMHQBIDEI-NWDGAFQWSA-N 0 2 356.378 3.457 20 5 FGBDLN Cc1nc(C(C)C)oc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000295280140 498964989 /nfs/dbraw/zinc/96/49/89/498964989.db2.gz PHYGIVPKDDXKLY-UHFFFAOYSA-N 0 2 356.342 3.052 20 5 FGBDLN COc1cccc(C2=CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000367560518 499212698 /nfs/dbraw/zinc/21/26/98/499212698.db2.gz YFAKGCDRHXJAPK-UHFFFAOYSA-N 0 2 354.362 3.239 20 5 FGBDLN CCc1nnc(-c2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)o1 ZINC000370736004 499249828 /nfs/dbraw/zinc/24/98/28/499249828.db2.gz DYSKFMUMQGVKQR-UHFFFAOYSA-N 0 2 354.322 3.165 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413925647 500095967 /nfs/dbraw/zinc/09/59/67/500095967.db2.gz OXGXQGBARVRXBU-UHFFFAOYSA-N 0 2 371.393 3.105 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000427829035 500437981 /nfs/dbraw/zinc/43/79/81/500437981.db2.gz DBYCKALSHARSST-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436940091 500574736 /nfs/dbraw/zinc/57/47/36/500574736.db2.gz UDRGSRYNAACJOV-UHFFFAOYSA-N 0 2 370.405 3.417 20 5 FGBDLN O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436956912 500579447 /nfs/dbraw/zinc/57/94/47/500579447.db2.gz QCKUQEZZTAPHGU-UHFFFAOYSA-N 0 2 368.374 3.494 20 5 FGBDLN COc1ccc(OC(F)F)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436971197 500582612 /nfs/dbraw/zinc/58/26/12/500582612.db2.gz HREXECUBFQTUCY-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(CC)CC ZINC000436988017 500587501 /nfs/dbraw/zinc/58/75/01/500587501.db2.gz KKTWXKXDGMYWLN-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437452288 500645571 /nfs/dbraw/zinc/64/55/71/500645571.db2.gz LWLBQJSREBZJPA-NEPJUHHUSA-N 0 2 364.304 3.188 20 5 FGBDLN COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1 ZINC000439945009 500958363 /nfs/dbraw/zinc/95/83/63/500958363.db2.gz RAEUJHYYFUNNJD-HNNXBMFYSA-N 0 2 370.405 3.404 20 5 FGBDLN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000436510374 501143762 /nfs/dbraw/zinc/14/37/62/501143762.db2.gz ISYIAIKWBBPUGC-SFHVURJKSA-N 0 2 362.332 3.459 20 5 FGBDLN Cc1nc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2n1C1CC1 ZINC000436528649 501149420 /nfs/dbraw/zinc/14/94/20/501149420.db2.gz XXGXTEYBLMIHIQ-UHFFFAOYSA-N 0 2 366.377 3.223 20 5 FGBDLN O=C(c1cc(F)cc(Cl)c1O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436605282 501168133 /nfs/dbraw/zinc/16/81/33/501168133.db2.gz FWMPOUGWIZIPEX-UHFFFAOYSA-N 0 2 366.732 3.128 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436672697 501184787 /nfs/dbraw/zinc/18/47/87/501184787.db2.gz NUCWMFPFOMFRNW-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000446946237 501184949 /nfs/dbraw/zinc/18/49/49/501184949.db2.gz OWAPKDLAUZXWBK-UHFFFAOYSA-N 0 2 353.425 3.428 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000436729349 501198717 /nfs/dbraw/zinc/19/87/17/501198717.db2.gz ASAXGGITGRUKKY-AWEZNQCLSA-N 0 2 353.378 3.320 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000481564248 501816429 /nfs/dbraw/zinc/81/64/29/501816429.db2.gz CCPPXACMQAKACG-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN CCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)s1 ZINC000481872902 501905249 /nfs/dbraw/zinc/90/52/49/501905249.db2.gz JYRPHWRTMWWGQS-UHFFFAOYSA-N 0 2 355.441 3.285 20 5 FGBDLN O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000478468488 501992533 /nfs/dbraw/zinc/99/25/33/501992533.db2.gz OGZCVCHJYXDERN-LLVKDONJSA-N 0 2 371.176 3.071 20 5 FGBDLN C[C@@](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000479159247 502179734 /nfs/dbraw/zinc/17/97/34/502179734.db2.gz RHASDUYFUMSJOY-LLVKDONJSA-N 0 2 372.752 3.258 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000483439937 502393759 /nfs/dbraw/zinc/39/37/59/502393759.db2.gz LSWVMTOBVQXNSL-GOSISDBHSA-N 0 2 372.377 3.176 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc(OC)c1 ZINC000480198076 502498933 /nfs/dbraw/zinc/49/89/33/502498933.db2.gz RZUWDTFPMCIYTJ-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1cc(Oc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)n[nH]1 ZINC000469742030 502527708 /nfs/dbraw/zinc/52/77/08/502527708.db2.gz PWHDGXKNYOZFRY-UHFFFAOYSA-N 0 2 354.322 3.377 20 5 FGBDLN Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)c1C ZINC000462772832 502565536 /nfs/dbraw/zinc/56/55/36/502565536.db2.gz JIFFZRDBXHYQGM-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CC(C)(C(=O)N=c1ccc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000466629506 502627424 /nfs/dbraw/zinc/62/74/24/502627424.db2.gz SRMLUNFTYBDRPI-UHFFFAOYSA-N 0 2 362.389 3.390 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000466965723 502740781 /nfs/dbraw/zinc/74/07/81/502740781.db2.gz VXIKBXIRDAJTKM-UHFFFAOYSA-N 0 2 356.425 3.473 20 5 FGBDLN Cc1ccnc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc12 ZINC000496054605 502871466 /nfs/dbraw/zinc/87/14/66/502871466.db2.gz POUTZJASBVWLHM-UHFFFAOYSA-N 0 2 374.360 3.489 20 5 FGBDLN CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccc(F)cc2O1 ZINC000489117065 502882784 /nfs/dbraw/zinc/88/27/84/502882784.db2.gz OSYJUZMIBODZES-CYBMUJFWSA-N 0 2 360.341 3.472 20 5 FGBDLN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000509385818 502889483 /nfs/dbraw/zinc/88/94/83/502889483.db2.gz ITZFIMAUAGLQML-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000513276119 502894481 /nfs/dbraw/zinc/89/44/81/502894481.db2.gz NMKSAMJYGSHPPH-ZANVPECISA-N 0 2 350.733 3.379 20 5 FGBDLN COC(=O)C(C)(C)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000513467103 502946645 /nfs/dbraw/zinc/94/66/45/502946645.db2.gz QBIWEGRMITXXPB-UHFFFAOYSA-N 0 2 358.350 3.003 20 5 FGBDLN CCCOc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509615823 502949428 /nfs/dbraw/zinc/94/94/28/502949428.db2.gz VOHAHPHWGVBAIK-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN CC(C)NC(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000505959667 503020971 /nfs/dbraw/zinc/02/09/71/503020971.db2.gz IRAIHRNHHKORPD-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC3 ZINC000497970582 503076995 /nfs/dbraw/zinc/07/69/95/503076995.db2.gz VZNZULGYVAFNHC-ZDUSSCGKSA-N 0 2 365.389 3.377 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000506831869 503180694 /nfs/dbraw/zinc/18/06/94/503180694.db2.gz GQDDTJRWBWBERZ-UHFFFAOYSA-N 0 2 370.814 3.241 20 5 FGBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1CCC(C)C ZINC000491682479 503326946 /nfs/dbraw/zinc/32/69/46/503326946.db2.gz YRBNLWBDCPQHCD-UHFFFAOYSA-N 0 2 366.443 3.201 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]n1 ZINC000493032172 503402282 /nfs/dbraw/zinc/40/22/82/503402282.db2.gz JPEYKLZMCHWMNE-UHFFFAOYSA-N 0 2 352.416 3.078 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000541307796 504082601 /nfs/dbraw/zinc/08/26/01/504082601.db2.gz SOMSQMMBYJHLHV-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccco1)Cc1cccnc1 ZINC000538387997 504230855 /nfs/dbraw/zinc/23/08/55/504230855.db2.gz WJLDTAPFGZTPPU-UHFFFAOYSA-N 0 2 353.334 3.131 20 5 FGBDLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C(F)F ZINC000534794328 504243141 /nfs/dbraw/zinc/24/31/41/504243141.db2.gz TTXOITKTCAJPFE-UHFFFAOYSA-N 0 2 374.369 3.186 20 5 FGBDLN CC[C@@](C)(NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000548146091 504347141 /nfs/dbraw/zinc/34/71/41/504347141.db2.gz JFZIRZPXEKYVOY-SNVBAGLBSA-N 0 2 360.741 3.258 20 5 FGBDLN C[S@@](=O)Cc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1Cl ZINC000539425736 504568519 /nfs/dbraw/zinc/56/85/19/504568519.db2.gz XCXLLOTVBONZQW-XMMPIXPASA-N 0 2 368.798 3.085 20 5 FGBDLN O=C(NCCCOc1cccc2cccnc21)c1cccc(O)c1[N+](=O)[O-] ZINC000539447591 504575061 /nfs/dbraw/zinc/57/50/61/504575061.db2.gz ZLMZQRFFFJJXFB-UHFFFAOYSA-N 0 2 367.361 3.048 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc(Nc2ccccn2)n1 ZINC000536199346 504664110 /nfs/dbraw/zinc/66/41/10/504664110.db2.gz WJUOUTPZSFCYAC-UHFFFAOYSA-N 0 2 357.351 3.148 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000559642471 504903513 /nfs/dbraw/zinc/90/35/13/504903513.db2.gz GZFMPFFDQMTRIQ-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557066647 505057822 /nfs/dbraw/zinc/05/78/22/505057822.db2.gz HPKMNSUIUKRIJS-MSOLQXFVSA-N 0 2 372.377 3.235 20 5 FGBDLN Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000554163629 505107667 /nfs/dbraw/zinc/10/76/67/505107667.db2.gz PHKKDRGZGVBCRA-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000560892495 505208111 /nfs/dbraw/zinc/20/81/11/505208111.db2.gz LWVCKROWMIKDHN-MRXNPFEDSA-N 0 2 352.350 3.228 20 5 FGBDLN CCOc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1Cl ZINC000552634598 505525406 /nfs/dbraw/zinc/52/54/06/505525406.db2.gz HBUPRFGOLWYXDM-UHFFFAOYSA-N 0 2 350.758 3.283 20 5 FGBDLN O=C(NCCn1ccc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000552719933 505542467 /nfs/dbraw/zinc/54/24/67/505542467.db2.gz CLSYNHAHLHGROF-UHFFFAOYSA-N 0 2 359.769 3.339 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@H]2CCCCN2c2ccccc21 ZINC000567781115 505562415 /nfs/dbraw/zinc/56/24/15/505562415.db2.gz VSCZZRHHHJEBGZ-CYBMUJFWSA-N 0 2 353.378 3.320 20 5 FGBDLN Cc1cc([C@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCO2)ccc1F ZINC000593738111 506754434 /nfs/dbraw/zinc/75/44/34/506754434.db2.gz MWNINJSWDDLKAZ-GOSISDBHSA-N 0 2 374.368 3.314 20 5 FGBDLN Cc1cc([C@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCO2)ccc1F ZINC000593738111 506754438 /nfs/dbraw/zinc/75/44/38/506754438.db2.gz MWNINJSWDDLKAZ-GOSISDBHSA-N 0 2 374.368 3.314 20 5 FGBDLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000593738663 506754453 /nfs/dbraw/zinc/75/44/53/506754453.db2.gz WFGREYKSDCCSQV-KPZWWZAWSA-N 0 2 374.368 3.394 20 5 FGBDLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000593738663 506754458 /nfs/dbraw/zinc/75/44/58/506754458.db2.gz WFGREYKSDCCSQV-KPZWWZAWSA-N 0 2 374.368 3.394 20 5 FGBDLN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000593853230 506804185 /nfs/dbraw/zinc/80/41/85/506804185.db2.gz XSAUUXOJCOANCI-GFCCVEGCSA-N 0 2 364.398 3.027 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1C1CCOCC1 ZINC000597491547 506976742 /nfs/dbraw/zinc/97/67/42/506976742.db2.gz MWQVYLXXGIKKMC-UHFFFAOYSA-N 0 2 359.382 3.323 20 5 FGBDLN CC(C)(C)OC(=O)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000597492276 506978058 /nfs/dbraw/zinc/97/80/58/506978058.db2.gz ZHMOFFWRQISLTA-ZDUSSCGKSA-N 0 2 352.387 3.243 20 5 FGBDLN CCOc1ccc(C[C@@H](C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000590891969 507019780 /nfs/dbraw/zinc/01/97/80/507019780.db2.gz YROUFLIDJMPEEB-CYBMUJFWSA-N 0 2 358.394 3.308 20 5 FGBDLN COC[C@@H](C)N(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000600794770 507126292 /nfs/dbraw/zinc/12/62/92/507126292.db2.gz XPFWYOKIMVYHRB-DYVFJYSZSA-N 0 2 370.405 3.465 20 5 FGBDLN O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597852386 507134406 /nfs/dbraw/zinc/13/44/06/507134406.db2.gz MHGWZAABYPGADJ-SFHVURJKSA-N 0 2 370.405 3.324 20 5 FGBDLN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610714348 507360276 /nfs/dbraw/zinc/36/02/76/507360276.db2.gz QIXKYAVRYAJRKD-OAHLLOKOSA-N 0 2 355.394 3.171 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000130645919 700804345 /nfs/dbraw/zinc/80/43/45/700804345.db2.gz COKCUVWCQNJWJN-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000130719558 700805440 /nfs/dbraw/zinc/80/54/40/700805440.db2.gz PFRVQKADDQHJMT-UHFFFAOYSA-N 0 2 372.834 3.210 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000159970101 705239400 /nfs/dbraw/zinc/23/94/00/705239400.db2.gz MYJKOTYZPFIHOZ-UHFFFAOYSA-N 0 2 358.807 3.115 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000523506561 714237903 /nfs/dbraw/zinc/23/79/03/714237903.db2.gz ZLNSUMCWPZTUCU-UHFFFAOYSA-N 0 2 353.425 3.039 20 5 FGBDLN Cc1cc(Br)ccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000619260735 714819451 /nfs/dbraw/zinc/81/94/51/714819451.db2.gz XBGSCWTZFDKGRT-UHFFFAOYSA-N 0 2 365.183 3.301 20 5 FGBDLN CCc1cccc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466389 714839683 /nfs/dbraw/zinc/83/96/83/714839683.db2.gz ZCWDQKCOEBONOL-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(O)c2)c(Cl)cc1Cl ZINC000791433464 723243278 /nfs/dbraw/zinc/24/32/78/723243278.db2.gz WLGXSLQBEVINCO-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788275069 725054306 /nfs/dbraw/zinc/05/43/06/725054306.db2.gz TVWCLBAEHZRBIF-UHFFFAOYSA-N 0 2 365.729 3.134 20 5 FGBDLN CC1(C)Cc2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2O1 ZINC000788762562 725086688 /nfs/dbraw/zinc/08/66/88/725086688.db2.gz SZQMCQRCRLVIOB-UHFFFAOYSA-N 0 2 354.409 3.171 20 5 FGBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC(F)(F)F)c1ccc(Br)cc1 ZINC000841123325 730214218 /nfs/dbraw/zinc/21/42/18/730214218.db2.gz CPAOCNKOBQBPHQ-NXEZZACHSA-N 0 2 367.121 3.010 20 5 FGBDLN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000030014991 493874787 /nfs/dbraw/zinc/87/47/87/493874787.db2.gz DQCOXHJYSJXGQL-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN Cc1nccc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000032592375 493998294 /nfs/dbraw/zinc/99/82/94/493998294.db2.gz DCMYOPZLFNGZJR-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(Br)c1 ZINC000035347045 494075017 /nfs/dbraw/zinc/07/50/17/494075017.db2.gz AEXYCZBNXSAWCG-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN CNC(=O)[C@H]1CCCc2sc(/C=C/c3cc(O)ccc3[N+](=O)[O-])nc21 ZINC000580212509 505705914 /nfs/dbraw/zinc/70/59/14/505705914.db2.gz NXKMVCGAQNSVMP-ZCRIDZFUSA-N 0 2 359.407 3.093 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000066246859 494295076 /nfs/dbraw/zinc/29/50/76/494295076.db2.gz FAPKEWNLOATVCW-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540808 494321957 /nfs/dbraw/zinc/32/19/57/494321957.db2.gz UXEODBVHVVMKNX-UHFFFAOYSA-N 0 2 355.354 3.187 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000055619681 494374009 /nfs/dbraw/zinc/37/40/09/494374009.db2.gz DGHCSNCIPRXEIJ-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000023491515 494569287 /nfs/dbraw/zinc/56/92/87/494569287.db2.gz AGPCJNVCXJLCMJ-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000126941583 494865876 /nfs/dbraw/zinc/86/58/76/494865876.db2.gz DFPCYKOGYMWROK-UHFFFAOYSA-N 0 2 357.775 3.223 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000132402830 494868435 /nfs/dbraw/zinc/86/84/35/494868435.db2.gz VTIWPFMWFYXDJL-AWEZNQCLSA-N 0 2 372.352 3.175 20 5 FGBDLN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000133346892 495003825 /nfs/dbraw/zinc/00/38/25/495003825.db2.gz OCKAVMOLGBSOKZ-KSSFIOAISA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1ccccc1-c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n(C)n1 ZINC000119109507 495095086 /nfs/dbraw/zinc/09/50/86/495095086.db2.gz MORISLGOTSMBPS-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN CCSCc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000123727675 495177149 /nfs/dbraw/zinc/17/71/49/495177149.db2.gz HRGSKMNHLZMACO-UHFFFAOYSA-N 0 2 367.452 3.352 20 5 FGBDLN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000113428440 495305470 /nfs/dbraw/zinc/30/54/70/495305470.db2.gz OKOYIJRPJYLAFL-UHFFFAOYSA-N 0 2 373.369 3.493 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000137809469 495451444 /nfs/dbraw/zinc/45/14/44/495451444.db2.gz BOXGIXNYYYRGAE-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000158553745 495536647 /nfs/dbraw/zinc/53/66/47/495536647.db2.gz ZMROHLFPBOGTOZ-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000179322288 495542767 /nfs/dbraw/zinc/54/27/67/495542767.db2.gz BKWJTURUFLEAOE-UHFFFAOYSA-N 0 2 365.560 3.096 20 5 FGBDLN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000179506350 495619438 /nfs/dbraw/zinc/61/94/38/495619438.db2.gz YDRZJTZSVJJGDN-KRWDZBQOSA-N 0 2 355.394 3.344 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000186018582 495822061 /nfs/dbraw/zinc/82/20/61/495822061.db2.gz XBNVJXVBKFZFLP-VHSXEESVSA-N 0 2 352.268 3.460 20 5 FGBDLN Cc1c(F)cccc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000183130119 495846665 /nfs/dbraw/zinc/84/66/65/495846665.db2.gz NUBHUDDJAHWEBQ-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171472873 495890009 /nfs/dbraw/zinc/89/00/09/495890009.db2.gz QEADGBLFZBRSAR-JTQLQIEISA-N 0 2 357.391 3.271 20 5 FGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2cc(Br)ccc21 ZINC000160134833 495892524 /nfs/dbraw/zinc/89/25/24/495892524.db2.gz VXDWSOAWGJCBHP-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000160146282 495895753 /nfs/dbraw/zinc/89/57/53/495895753.db2.gz VBTBPFPSRCRHHF-UHFFFAOYSA-N 0 2 352.416 3.009 20 5 FGBDLN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183902771 496154433 /nfs/dbraw/zinc/15/44/33/496154433.db2.gz AGVMJPHFUBWBEF-UHFFFAOYSA-N 0 2 353.334 3.445 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1-c1nccs1 ZINC000183915019 496159079 /nfs/dbraw/zinc/15/90/79/496159079.db2.gz UMCCNRBGQCQBQA-UHFFFAOYSA-N 0 2 358.379 3.417 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000175010177 496206539 /nfs/dbraw/zinc/20/65/39/496206539.db2.gz LGGQHNHPXYJDKR-UHFFFAOYSA-N 0 2 360.391 3.223 20 5 FGBDLN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000162328830 496337554 /nfs/dbraw/zinc/33/75/54/496337554.db2.gz SVEIEQVKDOQBLW-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000162355385 496342302 /nfs/dbraw/zinc/34/23/02/496342302.db2.gz RWOQODMFXODHLE-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000184509949 496417332 /nfs/dbraw/zinc/41/73/32/496417332.db2.gz XQVVCULIAUTBQP-ZDUSSCGKSA-N 0 2 371.393 3.180 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000178419753 496449373 /nfs/dbraw/zinc/44/93/73/496449373.db2.gz OVECNGJNLBLRFX-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000184705864 496500863 /nfs/dbraw/zinc/50/08/63/496500863.db2.gz CUYNYMPJJUKKLI-UHFFFAOYSA-N 0 2 353.378 3.238 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000157935338 496589790 /nfs/dbraw/zinc/58/97/90/496589790.db2.gz WUOCRUWVRDAUHB-MRXNPFEDSA-N 0 2 355.394 3.041 20 5 FGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2F)c2cccnc21 ZINC000184965944 496603027 /nfs/dbraw/zinc/60/30/27/496603027.db2.gz HODBTEFIUBHJGY-UHFFFAOYSA-N 0 2 365.317 3.222 20 5 FGBDLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000184968456 496604501 /nfs/dbraw/zinc/60/45/01/496604501.db2.gz XEWBTHFDBYFHDC-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182052075 496650575 /nfs/dbraw/zinc/65/05/75/496650575.db2.gz XRLGWGPAIMGVCJ-UHFFFAOYSA-N 0 2 371.393 3.018 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000179096058 496672668 /nfs/dbraw/zinc/67/26/68/496672668.db2.gz DDXYNCJMMXFMPJ-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])sc1C ZINC000191749282 496876762 /nfs/dbraw/zinc/87/67/62/496876762.db2.gz YVEGSEOUJDUMSA-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN O=C(Nc1ccc(F)c(Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316470 496996812 /nfs/dbraw/zinc/99/68/12/496996812.db2.gz CMEKRNLRRDPSCB-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000275155907 497246152 /nfs/dbraw/zinc/24/61/52/497246152.db2.gz SYDHEMQATFFPAK-CYBMUJFWSA-N 0 2 372.377 3.228 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n(Cc2ccccc2)n1 ZINC000193671382 497443231 /nfs/dbraw/zinc/44/32/31/497443231.db2.gz CQKDUJLKVOGDOS-UHFFFAOYSA-N 0 2 352.350 3.106 20 5 FGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCN(c2ccc(F)cc2)CC1 ZINC000360445525 498274609 /nfs/dbraw/zinc/27/46/09/498274609.db2.gz HERAWFDIOXYZFK-UHFFFAOYSA-N 0 2 373.384 3.181 20 5 FGBDLN CC(C)Oc1ccc(=NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]n1 ZINC000569896216 506041099 /nfs/dbraw/zinc/04/10/99/506041099.db2.gz ZQAGVLXQJWQMOT-UHFFFAOYSA-N 0 2 354.366 3.466 20 5 FGBDLN Cc1sc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cc1[N+](=O)[O-] ZINC000572784543 506051280 /nfs/dbraw/zinc/05/12/80/506051280.db2.gz FDPAQPIOKWPQFY-UHFFFAOYSA-N 0 2 359.367 3.016 20 5 FGBDLN C[C@@H]1CCc2nc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000332287940 498634330 /nfs/dbraw/zinc/63/43/30/498634330.db2.gz IVOVHUDLIQFKHR-SNVBAGLBSA-N 0 2 367.452 3.118 20 5 FGBDLN CN(Cc1cccc(Br)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000318540205 498799015 /nfs/dbraw/zinc/79/90/15/498799015.db2.gz LDJWOBDOQUKGOA-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000363657935 498927279 /nfs/dbraw/zinc/92/72/79/498927279.db2.gz IWBGGMWXXWBEEX-CQSZACIVSA-N 0 2 366.377 3.127 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000579278330 506134796 /nfs/dbraw/zinc/13/47/96/506134796.db2.gz PXVXJZNEVHWQAS-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(=S)o2)CC1 ZINC000368820264 499336110 /nfs/dbraw/zinc/33/61/10/499336110.db2.gz CSUOKIXNBRYPEB-ZHACJKMWSA-N 0 2 374.422 3.076 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378610285 499537291 /nfs/dbraw/zinc/53/72/91/499537291.db2.gz MLYKZXBXANTCNN-UHFFFAOYSA-N 0 2 359.769 3.278 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c(C)cc1[N+](=O)[O-] ZINC000414384017 499784428 /nfs/dbraw/zinc/78/44/28/499784428.db2.gz RXOWEVAXBKWAKX-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000414444767 499793168 /nfs/dbraw/zinc/79/31/68/499793168.db2.gz QRIVONKUBVXYAA-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413883226 500086306 /nfs/dbraw/zinc/08/63/06/500086306.db2.gz RVTKSAZPQPMQFZ-UHFFFAOYSA-N 0 2 371.393 3.105 20 5 FGBDLN Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3cccc([N+](=O)[O-])c3C)c2cc1C ZINC000573358916 506179094 /nfs/dbraw/zinc/17/90/94/506179094.db2.gz OCIDZTBKGZUNOP-QGZVFWFLSA-N 0 2 368.437 3.020 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1F ZINC000430076095 500189149 /nfs/dbraw/zinc/18/91/49/500189149.db2.gz COJKMIUXWJFGDT-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN Cc1nc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2s1 ZINC000427125702 500356570 /nfs/dbraw/zinc/35/65/70/500356570.db2.gz GMNDDVIXRZPEHU-UHFFFAOYSA-N 0 2 365.392 3.019 20 5 FGBDLN COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436960037 500579993 /nfs/dbraw/zinc/57/99/93/500579993.db2.gz CCTXYHKMYYTAEH-UHFFFAOYSA-N 0 2 374.349 3.127 20 5 FGBDLN O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436968128 500582048 /nfs/dbraw/zinc/58/20/48/500582048.db2.gz SLIRSQNMRRMPAQ-UHFFFAOYSA-N 0 2 357.366 3.144 20 5 FGBDLN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000436968775 500582472 /nfs/dbraw/zinc/58/24/72/500582472.db2.gz VKEXFOBCTKQMDU-SJORKVTESA-N 0 2 360.341 3.090 20 5 FGBDLN COc1cc(Br)cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436987795 500587280 /nfs/dbraw/zinc/58/72/80/500587280.db2.gz MVQIDBALYRGXOF-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000436989222 500588149 /nfs/dbraw/zinc/58/81/49/500588149.db2.gz ZLMSIIYILABGDB-HNNXBMFYSA-N 0 2 374.368 3.261 20 5 FGBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000443526244 500734277 /nfs/dbraw/zinc/73/42/77/500734277.db2.gz BMWFDZNRITYKBM-UHFFFAOYSA-N 0 2 350.396 3.399 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000439052279 500851052 /nfs/dbraw/zinc/85/10/52/500851052.db2.gz DRGPRIDJFRVGHV-NSHDSACASA-N 0 2 370.340 3.116 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000434966777 500916921 /nfs/dbraw/zinc/91/69/21/500916921.db2.gz DAIDXVFBAIKVTA-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436494610 501138583 /nfs/dbraw/zinc/13/85/83/501138583.db2.gz UBMRYMFXGGHBRL-FUHWJXTLSA-N 0 2 372.377 3.235 20 5 FGBDLN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000436666508 501182174 /nfs/dbraw/zinc/18/21/74/501182174.db2.gz UDXHFQRZMXISNC-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(NCc1ccc(Br)s1)c1cc([N+](=O)[O-])ccc1O ZINC000436675378 501185279 /nfs/dbraw/zinc/18/52/79/501185279.db2.gz VEWQFHFDRWFDQL-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000436736635 501200354 /nfs/dbraw/zinc/20/03/54/501200354.db2.gz JKNNCRNVLGMUMU-CQSZACIVSA-N 0 2 353.378 3.320 20 5 FGBDLN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436873953 501225739 /nfs/dbraw/zinc/22/57/39/501225739.db2.gz RIKFPWZKCJBRJS-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1C ZINC000481569568 501819179 /nfs/dbraw/zinc/81/91/79/501819179.db2.gz LPDGHQJAIWQJCP-UHFFFAOYSA-N 0 2 360.313 3.430 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(CC(C)(C)C)n[nH]1 ZINC000474422351 501830455 /nfs/dbraw/zinc/83/04/55/501830455.db2.gz SVOXFKCBVNMUCG-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)cc1 ZINC000474434275 501835023 /nfs/dbraw/zinc/83/50/23/501835023.db2.gz RQJPGTSSVUGLQG-UHFFFAOYSA-N 0 2 350.400 3.166 20 5 FGBDLN CCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000481867628 501903330 /nfs/dbraw/zinc/90/33/30/501903330.db2.gz MHYGZANPTFKICX-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN COc1cccc(-c2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cs2)c1 ZINC000486078775 502039971 /nfs/dbraw/zinc/03/99/71/502039971.db2.gz VOEIPHQEJRQNOC-WAYWQWQTSA-N 0 2 372.362 3.099 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000468814470 502192354 /nfs/dbraw/zinc/19/23/54/502192354.db2.gz CUAYOQWAADBJBZ-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000473515223 502619054 /nfs/dbraw/zinc/61/90/54/502619054.db2.gz VVSNJFIMWBEHIV-UHFFFAOYSA-N 0 2 367.390 3.490 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000484443992 502643328 /nfs/dbraw/zinc/64/33/28/502643328.db2.gz SGNQNPZGVWHNRQ-UHFFFAOYSA-N 0 2 352.416 3.091 20 5 FGBDLN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000495373843 502830582 /nfs/dbraw/zinc/83/05/82/502830582.db2.gz JJPKARPURHBGSY-LLVKDONJSA-N 0 2 354.366 3.161 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000505611524 502950255 /nfs/dbraw/zinc/95/02/55/502950255.db2.gz LRQPYAGFCGDTRX-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN Cc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCO2 ZINC000510101287 503049551 /nfs/dbraw/zinc/04/95/51/503049551.db2.gz CPNBWQUNCHOUAQ-UHFFFAOYSA-N 0 2 370.770 3.086 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000491470396 503310157 /nfs/dbraw/zinc/31/01/57/503310157.db2.gz HTJLQHFSJQPABC-UHFFFAOYSA-N 0 2 351.362 3.301 20 5 FGBDLN COc1cccc(C(=O)CCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000499067695 503325362 /nfs/dbraw/zinc/32/53/62/503325362.db2.gz JMQBNVJIQDWPGC-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC)c([N+](=O)[O-])c1 ZINC000511698313 503371737 /nfs/dbraw/zinc/37/17/37/503371737.db2.gz ACOZPLHDYRAUNH-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000504504393 503581374 /nfs/dbraw/zinc/58/13/74/503581374.db2.gz YUXNNEKXRSRUDL-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)s1 ZINC000546173469 503655520 /nfs/dbraw/zinc/65/55/20/503655520.db2.gz RMFZFFLEBVMDCX-UHFFFAOYSA-N 0 2 358.363 3.200 20 5 FGBDLN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000536863180 503743582 /nfs/dbraw/zinc/74/35/82/503743582.db2.gz KPTCDUSNTABMOX-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000537232465 503850809 /nfs/dbraw/zinc/85/08/09/503850809.db2.gz SQIGHXPXSLFDHO-UHFFFAOYSA-N 0 2 372.377 3.358 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc3ncccc3c2)c([N+](=O)[O-])c1 ZINC000537395345 503899885 /nfs/dbraw/zinc/89/98/85/503899885.db2.gz UNICCCFAHYBHGK-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1OC ZINC000519201781 504163248 /nfs/dbraw/zinc/16/32/48/504163248.db2.gz GLPXODCWVXYVMC-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000538312258 504201592 /nfs/dbraw/zinc/20/15/92/504201592.db2.gz ZSLAFQFGUGBSIB-JTQLQIEISA-N 0 2 350.758 3.151 20 5 FGBDLN COc1ccnc2c(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cccc12 ZINC000535053853 504329311 /nfs/dbraw/zinc/32/93/11/504329311.db2.gz ICOKKQFQZDVKKX-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(CN[C@H](c1ccccc1)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000536199398 504663320 /nfs/dbraw/zinc/66/33/20/504663320.db2.gz WPSLXAJHEOBENR-OAHLLOKOSA-N 0 2 369.299 3.132 20 5 FGBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Br)c1 ZINC000536198741 504663631 /nfs/dbraw/zinc/66/36/31/504663631.db2.gz RSXKXRRDMWSWGY-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000539933954 504742204 /nfs/dbraw/zinc/74/22/04/504742204.db2.gz BMDFMGGBTXFUDU-CYBMUJFWSA-N 0 2 358.394 3.402 20 5 FGBDLN CC(C)[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000539980177 504753136 /nfs/dbraw/zinc/75/31/36/504753136.db2.gz KHGQIVQZXZCTFZ-QGZVFWFLSA-N 0 2 372.377 3.199 20 5 FGBDLN CNC(=O)[C@H]1CCCc2sc(/C=C\c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000559193099 504799357 /nfs/dbraw/zinc/79/93/57/504799357.db2.gz FTUMTBRGBTUGAN-JYKYSHPRSA-N 0 2 359.407 3.093 20 5 FGBDLN CCCOc1ccc2c(c1)CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000560598223 505139234 /nfs/dbraw/zinc/13/92/34/505139234.db2.gz CMHPEQBPVXGALQ-UHFFFAOYSA-N 0 2 356.378 3.288 20 5 FGBDLN O=C(N=c1cccn[nH]1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000612474060 506591525 /nfs/dbraw/zinc/59/15/25/506591525.db2.gz QAUQZMUXXFSGGN-UHFFFAOYSA-N 0 2 358.423 3.341 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1[C@H]1CCCOC1 ZINC000599751320 506617113 /nfs/dbraw/zinc/61/71/13/506617113.db2.gz TUWKYIZRWWQLJY-AWEZNQCLSA-N 0 2 359.382 3.323 20 5 FGBDLN Cc1sc2ncnc(N3N=C(c4ccc([N+](=O)[O-])cc4)CC3=O)c2c1C ZINC000603923798 506660098 /nfs/dbraw/zinc/66/00/98/506660098.db2.gz PUPAZZZUPJQFNF-UHFFFAOYSA-N 0 2 367.390 3.357 20 5 FGBDLN CC[C@H](C)c1nc(C)c(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1 ZINC000594337401 507084304 /nfs/dbraw/zinc/08/43/04/507084304.db2.gz NTOLOGRXMYCUHJ-JTQLQIEISA-N 0 2 358.398 3.402 20 5 FGBDLN COC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCc2ccccc21 ZINC000600793888 507125902 /nfs/dbraw/zinc/12/59/02/507125902.db2.gz PTNZHJFSIFLXMO-DYVFJYSZSA-N 0 2 370.405 3.465 20 5 FGBDLN CCc1ccc([C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCO2)cc1 ZINC000584187989 507200362 /nfs/dbraw/zinc/20/03/62/507200362.db2.gz CMZGTBMUDMUVCD-SFHVURJKSA-N 0 2 356.378 3.077 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594725705 507256463 /nfs/dbraw/zinc/25/64/63/507256463.db2.gz GGNWAHSDKJEVQY-UHFFFAOYSA-N 0 2 370.456 3.144 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])cc1F ZINC000598196807 507308327 /nfs/dbraw/zinc/30/83/27/507308327.db2.gz ACRYDCNJRBCFHY-AWEZNQCLSA-N 0 2 360.341 3.425 20 5 FGBDLN COc1cccc([C@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000598232740 507333875 /nfs/dbraw/zinc/33/38/75/507333875.db2.gz QSFYWGUKJYPLEF-LJQANCHMSA-N 0 2 356.378 3.113 20 5 FGBDLN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611289768 507606064 /nfs/dbraw/zinc/60/60/64/507606064.db2.gz FCAUMEHJPHXSQI-AWEZNQCLSA-N 0 2 355.394 3.171 20 5 FGBDLN C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806300 601906337 /nfs/dbraw/zinc/90/63/37/601906337.db2.gz KWYGIXDMJSDBEK-OAHLLOKOSA-N 0 2 372.274 3.409 20 5 FGBDLN C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830806300 601906339 /nfs/dbraw/zinc/90/63/39/601906339.db2.gz KWYGIXDMJSDBEK-OAHLLOKOSA-N 0 2 372.274 3.409 20 5 FGBDLN O=C([O-])Nc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740715751 602176906 /nfs/dbraw/zinc/17/69/06/602176906.db2.gz OFSZNMQRADACSC-UHFFFAOYSA-N 0 2 367.321 3.123 20 5 FGBDLN CN(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000109426072 700535010 /nfs/dbraw/zinc/53/50/10/700535010.db2.gz RFJJYKNQCTWQQX-UHFFFAOYSA-N 0 2 355.803 3.115 20 5 FGBDLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000119982794 700644811 /nfs/dbraw/zinc/64/48/11/700644811.db2.gz QMBYKCHBQUTCDB-MRVPVSSYSA-N 0 2 373.481 3.429 20 5 FGBDLN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(O)ccc1[N+](=O)[O-] ZINC000796404128 723636464 /nfs/dbraw/zinc/63/64/64/723636464.db2.gz LKDWNWJQUBVWDP-UHFFFAOYSA-N 0 2 360.326 3.210 20 5 FGBDLN COCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000798247576 723918296 /nfs/dbraw/zinc/91/82/96/723918296.db2.gz SCHYQGINCDBLLZ-UHFFFAOYSA-N 0 2 374.777 3.335 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(Cl)n1 ZINC000800930085 724249838 /nfs/dbraw/zinc/24/98/38/724249838.db2.gz CREHBBIRRIMDGA-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1scnc1C(C)C ZINC000830173263 729541008 /nfs/dbraw/zinc/54/10/08/729541008.db2.gz YDFZEZUIQZEKAL-UHFFFAOYSA-N 0 2 359.404 3.423 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cnoc2C2CC2)c1 ZINC000840918812 730191422 /nfs/dbraw/zinc/19/14/22/730191422.db2.gz ZFXZXWDMFJHACU-UHFFFAOYSA-N 0 2 357.775 3.223 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000573638336 505583990 /nfs/dbraw/zinc/58/39/90/505583990.db2.gz JGXNGZJCIKCFLO-UHFFFAOYSA-N 0 2 358.322 3.342 20 5 FGBDLN COc1ccc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000038596814 494114835 /nfs/dbraw/zinc/11/48/35/494114835.db2.gz WHGCTBWHKOKQLK-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc12 ZINC000093909611 494933847 /nfs/dbraw/zinc/93/38/47/494933847.db2.gz ROTWPLUFFTYBRY-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1[nH]nc2cc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc12 ZINC000093909611 494933850 /nfs/dbraw/zinc/93/38/50/494933850.db2.gz ROTWPLUFFTYBRY-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000110122070 494951141 /nfs/dbraw/zinc/95/11/41/494951141.db2.gz IGOHAQAICKWMSD-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119015072 495071284 /nfs/dbraw/zinc/07/12/84/495071284.db2.gz MUCWSGXMHUWEGV-UHFFFAOYSA-N 0 2 369.424 3.032 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000119071259 495085264 /nfs/dbraw/zinc/08/52/64/495085264.db2.gz KCORQSLCWSQOIT-UHFFFAOYSA-N 0 2 360.388 3.303 20 5 FGBDLN COc1ccccc1NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000128811488 495153527 /nfs/dbraw/zinc/15/35/27/495153527.db2.gz NEFCJGBCGVVSRK-UHFFFAOYSA-N 0 2 371.393 3.026 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2cccnc12 ZINC000129617001 495271372 /nfs/dbraw/zinc/27/13/72/495271372.db2.gz POSSIEZIGFKBHA-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000119988777 495283245 /nfs/dbraw/zinc/28/32/45/495283245.db2.gz XOWGWADQYZBCOU-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN Cc1ccc(-c2nc(CCNC(=O)c3cc([N+](=O)[O-])ccc3O)co2)cc1 ZINC000179471657 495604974 /nfs/dbraw/zinc/60/49/74/495604974.db2.gz BOAAVZLSKAMZMM-UHFFFAOYSA-N 0 2 367.361 3.236 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000176592269 495711839 /nfs/dbraw/zinc/71/18/39/495711839.db2.gz MUBFXYQYYYMEFA-UHFFFAOYSA-N 0 2 370.456 3.288 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000185956466 495798091 /nfs/dbraw/zinc/79/80/91/495798091.db2.gz YUTYJYRJGGHJDX-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000183525477 496019343 /nfs/dbraw/zinc/01/93/43/496019343.db2.gz NNFNPRJGTMTVAB-CYBMUJFWSA-N 0 2 371.393 3.180 20 5 FGBDLN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183842642 496133365 /nfs/dbraw/zinc/13/33/65/496133365.db2.gz JGXUXSNQEGHDMI-UHFFFAOYSA-N 0 2 370.340 3.245 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(Cc2ccccc2Cl)c1 ZINC000180768774 496138911 /nfs/dbraw/zinc/13/89/11/496138911.db2.gz AZVZDRJCOWDAOB-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCSCC1 ZINC000183906505 496155672 /nfs/dbraw/zinc/15/56/72/496155672.db2.gz YUURWOIBOOKONJ-KRWDZBQOSA-N 0 2 373.434 3.029 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000175010872 496205942 /nfs/dbraw/zinc/20/59/42/496205942.db2.gz XFVQOTMWJFXYBV-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nccc(-c2ccccc2)n1 ZINC000163222916 496483558 /nfs/dbraw/zinc/48/35/58/496483558.db2.gz YNPPDUDVSOVVKB-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000153547247 496493272 /nfs/dbraw/zinc/49/32/72/496493272.db2.gz HNCXHHQWCHCLGX-UHFFFAOYSA-N 0 2 374.777 3.335 20 5 FGBDLN CC(C)n1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)nc2ccccc21 ZINC000184798737 496536323 /nfs/dbraw/zinc/53/63/23/496536323.db2.gz RBEGVLTUVUUWQP-UHFFFAOYSA-N 0 2 368.393 3.204 20 5 FGBDLN COc1ccc(Cl)cc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181826016 496561323 /nfs/dbraw/zinc/56/13/23/496561323.db2.gz UKKACHFNTUEAPN-UHFFFAOYSA-N 0 2 350.758 3.235 20 5 FGBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000182049360 496649158 /nfs/dbraw/zinc/64/91/58/496649158.db2.gz SXHPEAXIEBFRBD-PIGZYNQJSA-N 0 2 360.341 3.042 20 5 FGBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1-c1cccc(Cl)c1 ZINC000166092898 496677187 /nfs/dbraw/zinc/67/71/87/496677187.db2.gz PYJYKMCBBCQXHC-UHFFFAOYSA-N 0 2 373.756 3.095 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccc1F ZINC000188580487 496839900 /nfs/dbraw/zinc/83/99/00/496839900.db2.gz ULXDKPNIVNOUOU-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000195437967 496921911 /nfs/dbraw/zinc/92/19/11/496921911.db2.gz UEKFOFKQZOTIEC-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(OCCF)c2)c1[N+](=O)[O-] ZINC000189311416 497077963 /nfs/dbraw/zinc/07/79/63/497077963.db2.gz FEDWHQCMGYICBB-UHFFFAOYSA-N 0 2 368.386 3.361 20 5 FGBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2cnco2)c1 ZINC000194023423 497550752 /nfs/dbraw/zinc/55/07/52/497550752.db2.gz QKQKCOSNHFLQMW-UHFFFAOYSA-N 0 2 363.326 3.190 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1C1CCCC1 ZINC000194220876 497605707 /nfs/dbraw/zinc/60/57/07/497605707.db2.gz JTUOYDVFEQNOBJ-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN COc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])c(C)c1OC ZINC000292495418 498037852 /nfs/dbraw/zinc/03/78/52/498037852.db2.gz CVSNIUSFCGPRBH-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN COc1cc(F)c(F)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000570014839 506068975 /nfs/dbraw/zinc/06/89/75/506068975.db2.gz LAYUSNSZAFJDDM-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]2C ZINC000332504115 498705272 /nfs/dbraw/zinc/70/52/72/498705272.db2.gz FDNZLSNJFCMRIG-NEPJUHHUSA-N 0 2 356.378 3.457 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000303862330 498723353 /nfs/dbraw/zinc/72/33/53/498723353.db2.gz PSFYKOOFEQYKQZ-UHFFFAOYSA-N 0 2 362.407 3.493 20 5 FGBDLN COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Br ZINC000318768440 498798787 /nfs/dbraw/zinc/79/87/87/498798787.db2.gz MIZTUBGREXBJLJ-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CN(Cc1ccc(Br)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000319805764 498805235 /nfs/dbraw/zinc/80/52/35/498805235.db2.gz USRMRZDQSRPGJP-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN C[C@H](C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000321655425 498814020 /nfs/dbraw/zinc/81/40/20/498814020.db2.gz SEZJTNOMICKHAC-SNVBAGLBSA-N 0 2 353.783 3.293 20 5 FGBDLN Cc1nccc(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)n1 ZINC000370326686 499209905 /nfs/dbraw/zinc/20/99/05/499209905.db2.gz OJQCSFYCMRUQJD-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CCc1noc(-c2ccc(C)c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)n1 ZINC000367692763 499225426 /nfs/dbraw/zinc/22/54/26/499225426.db2.gz YYEKNCNBZRBEFF-UHFFFAOYSA-N 0 2 368.349 3.474 20 5 FGBDLN COc1cccc(C2(c3noc(-c4ccc([N+](=O)[O-])c(O)c4)n3)CC2)c1 ZINC000582149014 506144594 /nfs/dbraw/zinc/14/45/94/506144594.db2.gz RNZTUDISOMXYFT-UHFFFAOYSA-N 0 2 353.334 3.439 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](n2cnc3ccccc32)C1 ZINC000375692118 499545743 /nfs/dbraw/zinc/54/57/43/499545743.db2.gz YZWYJYLWWVYVHQ-ZDUSSCGKSA-N 0 2 366.377 3.127 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1C ZINC000414379970 499783824 /nfs/dbraw/zinc/78/38/24/499783824.db2.gz HZKMIBXASVPBSZ-GFCCVEGCSA-N 0 2 366.443 3.488 20 5 FGBDLN CC1(C)CCc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC000421268375 500007008 /nfs/dbraw/zinc/00/70/08/500007008.db2.gz WSVVCCVFEXZXSO-UHFFFAOYSA-N 0 2 371.415 3.215 20 5 FGBDLN CC(C)(C)c1cnc(C[NH2+][C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])s1 ZINC000417581729 500116452 /nfs/dbraw/zinc/11/64/52/500116452.db2.gz IGIOSLVJXXXJDC-ZDUSSCGKSA-N 0 2 363.439 3.134 20 5 FGBDLN O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1O ZINC000436932621 500572865 /nfs/dbraw/zinc/57/28/65/500572865.db2.gz OODDADCSHUUIHG-LBPRGKRZSA-N 0 2 371.176 3.071 20 5 FGBDLN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)OC(C)C ZINC000436938517 500574857 /nfs/dbraw/zinc/57/48/57/500574857.db2.gz MEFZINVVIUAGHY-GOSISDBHSA-N 0 2 374.393 3.205 20 5 FGBDLN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000436967220 500581611 /nfs/dbraw/zinc/58/16/11/500581611.db2.gz PTSVYCXIIBUTQM-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN COc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436972605 500583324 /nfs/dbraw/zinc/58/33/24/500583324.db2.gz OWIZELVGRJBMGU-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN Cn1cc(Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)cn1 ZINC000436980417 500585130 /nfs/dbraw/zinc/58/51/30/500585130.db2.gz NIAAPIBIJVLDTR-UHFFFAOYSA-N 0 2 353.338 3.030 20 5 FGBDLN CN(C)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000437005033 500591608 /nfs/dbraw/zinc/59/16/08/500591608.db2.gz WCRQHBCOOWXMBH-UHFFFAOYSA-N 0 2 352.350 3.167 20 5 FGBDLN COc1ccc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1 ZINC000439945011 500958276 /nfs/dbraw/zinc/95/82/76/500958276.db2.gz RAEUJHYYFUNNJD-OAHLLOKOSA-N 0 2 370.405 3.404 20 5 FGBDLN O=C(c1cc(F)c(O)c(Cl)c1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436614160 501169964 /nfs/dbraw/zinc/16/99/64/501169964.db2.gz ZJQHNNYAYFPHRG-UHFFFAOYSA-N 0 2 366.732 3.128 20 5 FGBDLN CCC(=O)c1ccc(O)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000436661218 501181497 /nfs/dbraw/zinc/18/14/97/501181497.db2.gz XVJFSCNJHNMADD-UHFFFAOYSA-N 0 2 354.322 3.022 20 5 FGBDLN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2[nH]1 ZINC000436669545 501184133 /nfs/dbraw/zinc/18/41/33/501184133.db2.gz AIZJOGVGHIKBMU-MRXNPFEDSA-N 0 2 354.366 3.304 20 5 FGBDLN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC000436823769 501216844 /nfs/dbraw/zinc/21/68/44/501216844.db2.gz XBPZQJCDMMEZSL-AWEZNQCLSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1[nH+]cn(-c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2)c1C ZINC000436829119 501217767 /nfs/dbraw/zinc/21/77/67/501217767.db2.gz AJXALNDJKWGELY-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c(C)o1 ZINC000451098120 501245575 /nfs/dbraw/zinc/24/55/75/501245575.db2.gz VMOFEWOUSCYCFZ-UHFFFAOYSA-N 0 2 353.400 3.426 20 5 FGBDLN CCc1ccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1[N+](=O)[O-] ZINC000471345949 501994465 /nfs/dbraw/zinc/99/44/65/501994465.db2.gz NZWLNKSQHWFEMJ-UHFFFAOYSA-N 0 2 354.391 3.350 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH]n1 ZINC000471504264 502047917 /nfs/dbraw/zinc/04/79/17/502047917.db2.gz SCZBUEQOADCZMU-UHFFFAOYSA-N 0 2 352.416 3.078 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)c1 ZINC000486578953 502196505 /nfs/dbraw/zinc/19/65/05/502196505.db2.gz WVDFSLNFHJVAAV-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCN(c2ccccc2Cl)C1 ZINC000486805227 502269196 /nfs/dbraw/zinc/26/91/96/502269196.db2.gz WFQCIQYNCUTFLN-NSHDSACASA-N 0 2 361.785 3.419 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(CCC(C)C)n[nH]1 ZINC000469129893 502309481 /nfs/dbraw/zinc/30/94/81/502309481.db2.gz YEIXYQWHFSZMQO-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000483438132 502392080 /nfs/dbraw/zinc/39/20/80/502392080.db2.gz BCAUQTCWWYOLDX-UHFFFAOYSA-N 0 2 366.255 3.219 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000480199289 502499104 /nfs/dbraw/zinc/49/91/04/502499104.db2.gz QMFTWBIIBRQUNA-LLVKDONJSA-N 0 2 366.443 3.488 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1OC ZINC000592992545 506325934 /nfs/dbraw/zinc/32/59/34/506325934.db2.gz IZSZHHMUHLBZHU-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CC(C)(C)[NH+]=c1[n-]nc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCCO1 ZINC000463103337 502695399 /nfs/dbraw/zinc/69/53/99/502695399.db2.gz HUHLXYMCPODOEP-HNNXBMFYSA-N 0 2 359.430 3.055 20 5 FGBDLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000473763223 502700760 /nfs/dbraw/zinc/70/07/60/502700760.db2.gz IOBUJXFKDREZJI-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000470493641 502794064 /nfs/dbraw/zinc/79/40/64/502794064.db2.gz WEAZXPLUVGQKTB-JTQLQIEISA-N 0 2 352.416 3.331 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cc1C ZINC000497535656 502982308 /nfs/dbraw/zinc/98/23/08/502982308.db2.gz BCSVPXJLBSIADR-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cc2c(cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OCO2 ZINC000510089616 503047402 /nfs/dbraw/zinc/04/74/02/503047402.db2.gz NFNDLCJKQPCVTO-UHFFFAOYSA-N 0 2 370.770 3.086 20 5 FGBDLN COc1cc(C)c([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000506476201 503121983 /nfs/dbraw/zinc/12/19/83/503121983.db2.gz DUABMQNRMKBTGT-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000490611814 503203954 /nfs/dbraw/zinc/20/39/54/503203954.db2.gz ZOFMXKWBEVHBOQ-UHFFFAOYSA-N 0 2 374.368 3.418 20 5 FGBDLN O=C(NCc1ccccc1OCC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000507790073 503366739 /nfs/dbraw/zinc/36/67/39/503366739.db2.gz VXLIFTXXVXRCJQ-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN O=C(Nc1nc2cc(F)c(F)cc2s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509084254 503637980 /nfs/dbraw/zinc/63/79/80/503637980.db2.gz ORSQDERHQVFVPB-UHFFFAOYSA-N 0 2 351.290 3.441 20 5 FGBDLN CCCCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1(C)C ZINC000540588207 503825726 /nfs/dbraw/zinc/82/57/26/503825726.db2.gz WGUFZFIMEBXXCA-GJZGRUSLSA-N 0 2 350.415 3.356 20 5 FGBDLN COc1ccc(CN=c2[nH]ncs2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000537505609 503936383 /nfs/dbraw/zinc/93/63/83/503936383.db2.gz XSCURNACYKQKBI-UHFFFAOYSA-N 0 2 372.406 3.068 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000541307795 504082842 /nfs/dbraw/zinc/08/28/42/504082842.db2.gz SOMSQMMBYJHLHV-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(CSc1nc(-c2ccccc2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000544554902 504172780 /nfs/dbraw/zinc/17/27/80/504172780.db2.gz WMFKCQJURAIKLP-UHFFFAOYSA-N 0 2 372.362 3.081 20 5 FGBDLN Cc1n[nH]c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1-c1ccccc1 ZINC000534681384 504213918 /nfs/dbraw/zinc/21/39/18/504213918.db2.gz WKMLDWADIZXAOV-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1n[nH]c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000534682881 504215060 /nfs/dbraw/zinc/21/50/60/504215060.db2.gz OXJDXIBRUVVBBE-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nn1-c1ccccc1 ZINC000538940551 504422837 /nfs/dbraw/zinc/42/28/37/504422837.db2.gz NMIAUJQJCSODGB-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(SC)c1C ZINC000539196271 504496000 /nfs/dbraw/zinc/49/60/00/504496000.db2.gz PGOMMTCLSLPBLR-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2ccc(Br)cc21 ZINC000539423358 504567270 /nfs/dbraw/zinc/56/72/70/504567270.db2.gz FOKMKXGDXFBCSQ-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN Cc1cnn(-c2ccc(C)cc2NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000539489409 504587987 /nfs/dbraw/zinc/58/79/87/504587987.db2.gz BKRJNXWPJCINNU-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000539598830 504621511 /nfs/dbraw/zinc/62/15/11/504621511.db2.gz UNNJKZZNUBQLDB-UHFFFAOYSA-N 0 2 354.359 3.075 20 5 FGBDLN COc1cc2c(cc1Cl)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000582866951 506462802 /nfs/dbraw/zinc/46/28/02/506462802.db2.gz UCJHMLWEOXRSOK-UHFFFAOYSA-N 0 2 362.769 3.161 20 5 FGBDLN CCC(CC)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000593595632 506697301 /nfs/dbraw/zinc/69/73/01/506697301.db2.gz IRQMHHODROSNHN-UHFFFAOYSA-N 0 2 352.387 3.387 20 5 FGBDLN Cc1ccccc1[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593737817 506754872 /nfs/dbraw/zinc/75/48/72/506754872.db2.gz VXYHKSOOVFRCBN-GOSISDBHSA-N 0 2 356.378 3.175 20 5 FGBDLN Cc1ccccc1[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593737817 506754879 /nfs/dbraw/zinc/75/48/79/506754879.db2.gz VXYHKSOOVFRCBN-GOSISDBHSA-N 0 2 356.378 3.175 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000590526199 506849128 /nfs/dbraw/zinc/84/91/28/506849128.db2.gz FKLCUPZHBXUMLS-OAHLLOKOSA-N 0 2 362.769 3.168 20 5 FGBDLN Cc1cc(=NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[nH]nc1C ZINC000609644629 506958136 /nfs/dbraw/zinc/95/81/36/506958136.db2.gz ITNXQSCLVQSFTM-UHFFFAOYSA-N 0 2 363.377 3.419 20 5 FGBDLN Cc1ccnc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000609658132 506963505 /nfs/dbraw/zinc/96/35/05/506963505.db2.gz QFSDRCQVXIFJAP-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000609812978 507012535 /nfs/dbraw/zinc/01/25/35/507012535.db2.gz PLCLYSQYHXRTAV-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)CCOC3)c1C ZINC000594696028 507242543 /nfs/dbraw/zinc/24/25/43/507242543.db2.gz CKBUFYRQMDUSCV-UHFFFAOYSA-N 0 2 362.407 3.085 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000610657372 507334309 /nfs/dbraw/zinc/33/43/09/507334309.db2.gz GWJCHXPMJGUZDP-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN C[C@H](c1ccccc1)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000610733948 507369436 /nfs/dbraw/zinc/36/94/36/507369436.db2.gz MEGRTQNWIYIWFD-CYBMUJFWSA-N 0 2 372.406 3.201 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000610954752 507454869 /nfs/dbraw/zinc/45/48/69/507454869.db2.gz HBXKVSBESJLTDW-UHFFFAOYSA-N 0 2 368.321 3.140 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000093906719 700455930 /nfs/dbraw/zinc/45/59/30/700455930.db2.gz QJDJLRWBISRNRK-UHFFFAOYSA-N 0 2 369.330 3.060 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C)c1 ZINC000121265868 700668807 /nfs/dbraw/zinc/66/88/07/700668807.db2.gz JXYQXMZDDXQCPO-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1C ZINC000132647196 700829743 /nfs/dbraw/zinc/82/97/43/700829743.db2.gz ASYJJLJZPVPWER-UHFFFAOYSA-N 0 2 370.406 3.148 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000192731808 712872237 /nfs/dbraw/zinc/87/22/37/712872237.db2.gz RZGJGQFOBOJOEG-UHFFFAOYSA-N 0 2 360.313 3.430 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc2[nH]ccc2cc1C ZINC000619468174 714840140 /nfs/dbraw/zinc/84/01/40/714840140.db2.gz CGNWRTVEJOAIBX-UHFFFAOYSA-N 0 2 361.379 3.194 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)cs1 ZINC000768880477 723670744 /nfs/dbraw/zinc/67/07/44/723670744.db2.gz CLJUJUHAKCRUFX-UHFFFAOYSA-N 0 2 369.424 3.174 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1C ZINC000766595340 723582870 /nfs/dbraw/zinc/58/28/70/723582870.db2.gz ZJHVYSADVAHMAR-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc21 ZINC000800831169 724233556 /nfs/dbraw/zinc/23/35/56/724233556.db2.gz CFYCUNJTHKIJTR-UHFFFAOYSA-N 0 2 366.782 3.178 20 5 FGBDLN CC(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000786891895 725006286 /nfs/dbraw/zinc/00/62/86/725006286.db2.gz QRXIQUMBMDMFDM-JTQLQIEISA-N 0 2 360.741 3.113 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1Br ZINC000816055002 727120143 /nfs/dbraw/zinc/12/01/43/727120143.db2.gz VCNLCMFQMNJQHM-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2(c3cccc(Br)c3)CC2)no1 ZINC000842502575 730509917 /nfs/dbraw/zinc/50/99/17/730509917.db2.gz DRDDUDVMVHKFGC-GHMZBOCLSA-N 0 2 350.172 3.045 20 5 FGBDLN COc1cc(C)ccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060443605 493933895 /nfs/dbraw/zinc/93/38/95/493933895.db2.gz ABCTVZGBPUYASS-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COCCCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000062228290 494005641 /nfs/dbraw/zinc/00/56/41/494005641.db2.gz XJFRPHFOSAQVIA-UHFFFAOYSA-N 0 2 358.394 3.369 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000007323439 494015565 /nfs/dbraw/zinc/01/55/65/494015565.db2.gz DHISZYASOQAKDL-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000089531228 494321882 /nfs/dbraw/zinc/32/18/82/494321882.db2.gz JJHREALDIILECW-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547202 494665692 /nfs/dbraw/zinc/66/56/92/494665692.db2.gz ONGVOTZZVLGRSZ-UHFFFAOYSA-N 0 2 366.377 3.414 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000118493841 495006134 /nfs/dbraw/zinc/00/61/34/495006134.db2.gz CIMYZAJIOGPLPF-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1Cl ZINC000103201985 495204107 /nfs/dbraw/zinc/20/41/07/495204107.db2.gz WVIYVPIPQYZLOO-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000135261767 495270218 /nfs/dbraw/zinc/27/02/18/495270218.db2.gz GYIRNDXXLYTPFY-GQCTYLIASA-N 0 2 358.335 3.168 20 5 FGBDLN Cc1ccc(C(=O)N[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C(C)C)cc1 ZINC000120886602 495477961 /nfs/dbraw/zinc/47/79/61/495477961.db2.gz PGUWMHXDQAMXNR-KRWDZBQOSA-N 0 2 371.393 3.002 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccccc2SC)c([N+](=O)[O-])c1 ZINC000142064502 495513463 /nfs/dbraw/zinc/51/34/63/495513463.db2.gz JBIOZTJHIRAQMF-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000179474131 495605674 /nfs/dbraw/zinc/60/56/74/495605674.db2.gz YYSXMWIQWCJBJD-UHFFFAOYSA-N 0 2 359.357 3.156 20 5 FGBDLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171403490 495857558 /nfs/dbraw/zinc/85/75/58/495857558.db2.gz GGVQIGORIYFBGY-HNNXBMFYSA-N 0 2 372.768 3.226 20 5 FGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN(CC2CC2)c2ccccc21 ZINC000180108486 495861105 /nfs/dbraw/zinc/86/11/05/495861105.db2.gz CBMBDVJMUNSSOC-UHFFFAOYSA-N 0 2 353.378 3.177 20 5 FGBDLN Cc1cnn(-c2ccc(C)cc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000180181597 495895026 /nfs/dbraw/zinc/89/50/26/495895026.db2.gz XYXYLEKUWMCJSH-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CC(C)CC(=O)N[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000180767637 496139039 /nfs/dbraw/zinc/13/90/39/496139039.db2.gz MMAVBGGWZRQDHN-SFHVURJKSA-N 0 2 371.393 3.143 20 5 FGBDLN COc1ccc(-n2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2C)cc1 ZINC000180775981 496142072 /nfs/dbraw/zinc/14/20/72/496142072.db2.gz XJSXAHARYFEVFJ-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184716449 496505569 /nfs/dbraw/zinc/50/55/69/496505569.db2.gz UCOVBAPUIQKOPP-AWEZNQCLSA-N 0 2 356.378 3.156 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c1C ZINC000153588506 496509233 /nfs/dbraw/zinc/50/92/33/496509233.db2.gz VZHKNIMZJHLZOR-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(C2CCCCC2)no1 ZINC000182064480 496656347 /nfs/dbraw/zinc/65/63/47/496656347.db2.gz RYDYORDOTDQATD-JTQLQIEISA-N 0 2 360.370 3.222 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000182092374 496666919 /nfs/dbraw/zinc/66/69/19/496666919.db2.gz FGCNTPDRIHAZPE-ZBFHGGJFSA-N 0 2 360.410 3.445 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OCCc2ccccc2)CC1 ZINC000195322329 496888360 /nfs/dbraw/zinc/88/83/60/496888360.db2.gz CBTBYLQBOLLBBT-UHFFFAOYSA-N 0 2 370.405 3.164 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000189283088 497068510 /nfs/dbraw/zinc/06/85/10/497068510.db2.gz QZRSREKDCYBEMQ-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1noc(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000192730020 497197727 /nfs/dbraw/zinc/19/77/27/497197727.db2.gz AEYOLJQRABMPMC-UHFFFAOYSA-N 0 2 365.289 3.019 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000331904027 498495188 /nfs/dbraw/zinc/49/51/88/498495188.db2.gz HFMSSELHSDRCMM-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000322122755 498817028 /nfs/dbraw/zinc/81/70/28/498817028.db2.gz AEXWDDXNESGCSR-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN Cc1ccc(OC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000375738325 499549998 /nfs/dbraw/zinc/54/99/98/499549998.db2.gz MVICAXSJGQDUKZ-UHFFFAOYSA-N 0 2 356.378 3.292 20 5 FGBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000375800762 499556805 /nfs/dbraw/zinc/55/68/05/499556805.db2.gz DNTBZOVQJMRHGJ-DIFFPNOSSA-N 0 2 360.341 3.042 20 5 FGBDLN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000375800761 499556887 /nfs/dbraw/zinc/55/68/87/499556887.db2.gz DNTBZOVQJMRHGJ-APPDUMDISA-N 0 2 360.341 3.042 20 5 FGBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408430396 499588275 /nfs/dbraw/zinc/58/82/75/499588275.db2.gz SVMTZOPMQDJPKG-NQCMUKECSA-N 0 2 360.410 3.110 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])oc1C ZINC000414436512 499791966 /nfs/dbraw/zinc/79/19/66/499791966.db2.gz APRAQWIKOCWBOE-UHFFFAOYSA-N 0 2 365.289 3.019 20 5 FGBDLN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C2 ZINC000422043878 500204821 /nfs/dbraw/zinc/20/48/21/500204821.db2.gz JLOFUAGFZPLDAT-UHFFFAOYSA-N 0 2 372.377 3.122 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000442223475 500572393 /nfs/dbraw/zinc/57/23/93/500572393.db2.gz YIPVOGWYKOXKKK-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436951876 500577807 /nfs/dbraw/zinc/57/78/07/500577807.db2.gz STXRRJYCPZZZSJ-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN CSc1cc2c(cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1)OCCO2 ZINC000436962643 500580088 /nfs/dbraw/zinc/58/00/88/500580088.db2.gz OOLCAXNPYPKLHE-UHFFFAOYSA-N 0 2 362.363 3.046 20 5 FGBDLN COc1ccc(OC(C)C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000442359678 500583707 /nfs/dbraw/zinc/58/37/07/500583707.db2.gz RHQMPJZQXOWNKW-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000437364156 500636027 /nfs/dbraw/zinc/63/60/27/500636027.db2.gz KTWLIQKAKOJUPG-GXFFZTMASA-N 0 2 352.268 3.004 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)cc1O ZINC000445229439 500957908 /nfs/dbraw/zinc/95/79/08/500957908.db2.gz STIQLVHWOVPZQI-UHFFFAOYSA-N 0 2 354.322 3.201 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2ccc(O)cc21 ZINC000439992024 500963800 /nfs/dbraw/zinc/96/38/00/500963800.db2.gz YZBVEINPTORYTE-UHFFFAOYSA-N 0 2 374.374 3.263 20 5 FGBDLN COCCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000445753102 501028326 /nfs/dbraw/zinc/02/83/26/501028326.db2.gz RVPIJLJCRGPZPR-UHFFFAOYSA-N 0 2 371.349 3.433 20 5 FGBDLN CC(C)Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C(F)F)n1 ZINC000450390993 501109801 /nfs/dbraw/zinc/10/98/01/501109801.db2.gz MKGQIQMMPLFZNY-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436640872 501176069 /nfs/dbraw/zinc/17/60/69/501176069.db2.gz ZJWIAJBNBCCEJR-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436673399 501185091 /nfs/dbraw/zinc/18/50/91/501185091.db2.gz KBLYOJVRTJHWCJ-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c(F)c1 ZINC000446956653 501186469 /nfs/dbraw/zinc/18/64/69/501186469.db2.gz HTOMIHQLKFTZRN-UHFFFAOYSA-N 0 2 357.388 3.259 20 5 FGBDLN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000446984032 501191140 /nfs/dbraw/zinc/19/11/40/501191140.db2.gz BWTCHYYNJZDZEC-UHFFFAOYSA-N 0 2 374.303 3.231 20 5 FGBDLN COc1ccc(C[C@H]2CCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1 ZINC000456133248 501461687 /nfs/dbraw/zinc/46/16/87/501461687.db2.gz FKPZBXNXNCZQGZ-OAHLLOKOSA-N 0 2 370.405 3.404 20 5 FGBDLN CCc1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1[N+](=O)[O-] ZINC000471932980 502176258 /nfs/dbraw/zinc/17/62/58/502176258.db2.gz ZAGRIHWERZUIGE-UHFFFAOYSA-N 0 2 360.420 3.411 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)c1 ZINC000469126046 502307773 /nfs/dbraw/zinc/30/77/73/502307773.db2.gz YZTYDLYWZLVMNG-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN O=C(CCc1cc2ccccc2[nH]c1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483443203 502394986 /nfs/dbraw/zinc/39/49/86/502394986.db2.gz RINDIWKJOVCAMT-UHFFFAOYSA-N 0 2 353.334 3.126 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480210284 502503247 /nfs/dbraw/zinc/50/32/47/502503247.db2.gz ROABSIREVPPSRM-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn([C@@H](C)CC)c1C ZINC000480215262 502504620 /nfs/dbraw/zinc/50/46/20/502504620.db2.gz FYFYJQOYGIPQBX-NSHDSACASA-N 0 2 366.443 3.434 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000480228922 502507685 /nfs/dbraw/zinc/50/76/85/502507685.db2.gz RXXPQDBDDNXLEF-LBPRGKRZSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000480742780 502659629 /nfs/dbraw/zinc/65/96/29/502659629.db2.gz XQCBMOXESDAJLY-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473756640 502698696 /nfs/dbraw/zinc/69/86/96/502698696.db2.gz BWKQPOJYPFWLOO-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN CSc1ccc(F)cc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000466865425 502707126 /nfs/dbraw/zinc/70/71/26/502707126.db2.gz OOJHNUFRRUODFH-UHFFFAOYSA-N 0 2 374.390 3.073 20 5 FGBDLN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505256617 502878350 /nfs/dbraw/zinc/87/83/50/502878350.db2.gz BQJIBSIJGYVQAK-CYBMUJFWSA-N 0 2 356.378 3.159 20 5 FGBDLN O=C(Nc1cccc(OCC(F)(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505296555 502884748 /nfs/dbraw/zinc/88/47/48/502884748.db2.gz WLBFBIRBGGOKMF-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000513816507 503028419 /nfs/dbraw/zinc/02/84/19/503028419.db2.gz OVUBLUNYSHKVKW-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1ccoc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000490337082 503156702 /nfs/dbraw/zinc/15/67/02/503156702.db2.gz TZDUMSFJKJZDBN-UHFFFAOYSA-N 0 2 365.194 3.282 20 5 FGBDLN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000543448500 503774200 /nfs/dbraw/zinc/77/42/00/503774200.db2.gz QMBAQGCUNFVOEP-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN CCOc1ccc(OC)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000517924334 503868553 /nfs/dbraw/zinc/86/85/53/503868553.db2.gz XRMREXBAUCUCIG-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN Cc1cc(N2CCC[C@](C)(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000518192359 503924864 /nfs/dbraw/zinc/92/48/64/503924864.db2.gz FTZHZENSANPTTG-SFHVURJKSA-N 0 2 356.382 3.051 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000538296765 504194901 /nfs/dbraw/zinc/19/49/01/504194901.db2.gz PEUKCEDPXZEGIB-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN CC(C)c1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccccn1 ZINC000547863025 504253483 /nfs/dbraw/zinc/25/34/83/504253483.db2.gz HEWMAKCEWMODNB-UHFFFAOYSA-N 0 2 367.365 3.257 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000520703895 504560635 /nfs/dbraw/zinc/56/06/35/504560635.db2.gz AUTHCSCHGRGNJL-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN Cc1n[nH]cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000521105078 504651018 /nfs/dbraw/zinc/65/10/18/504651018.db2.gz CCXCVEYXHDFKMK-UHFFFAOYSA-N 0 2 373.394 3.171 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2ccc(-c3ccccc3)n[nH]2)c1 ZINC000549244271 504736674 /nfs/dbraw/zinc/73/66/74/504736674.db2.gz FRWJIPAECCGHNS-UHFFFAOYSA-N 0 2 364.361 3.125 20 5 FGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(OC)c(OC)c1 ZINC000552878091 504780459 /nfs/dbraw/zinc/78/04/59/504780459.db2.gz FXTQKPXQPRZVQS-CYBMUJFWSA-N 0 2 360.366 3.199 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000565454223 504891867 /nfs/dbraw/zinc/89/18/67/504891867.db2.gz KFUFRIBLRCQXGP-UHFFFAOYSA-N 0 2 367.390 3.490 20 5 FGBDLN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557066650 505057738 /nfs/dbraw/zinc/05/77/38/505057738.db2.gz HPKMNSUIUKRIJS-ROUUACIJSA-N 0 2 372.377 3.235 20 5 FGBDLN Cn1c2ccccc2[nH+]c1CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000564213030 505354485 /nfs/dbraw/zinc/35/44/85/505354485.db2.gz FQKWNNRYRXFWRN-UHFFFAOYSA-N 0 2 368.393 3.153 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(CCc2ccc(O)cc2)CC1 ZINC000552109525 505403051 /nfs/dbraw/zinc/40/30/51/505403051.db2.gz ZZAOCZGDWMUQDX-UHFFFAOYSA-N 0 2 370.405 3.491 20 5 FGBDLN CC(C)c1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccccn1 ZINC000552337954 505466556 /nfs/dbraw/zinc/46/65/56/505466556.db2.gz IXPHLPSXYKGBNU-UHFFFAOYSA-N 0 2 367.365 3.257 20 5 FGBDLN COc1cccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000612335087 506533071 /nfs/dbraw/zinc/53/30/71/506533071.db2.gz GJONSXFXPKWVJP-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1[C@H]1CCCOC1 ZINC000599713242 506597205 /nfs/dbraw/zinc/59/72/05/506597205.db2.gz HFLNDFGBNCDQJK-AWEZNQCLSA-N 0 2 359.382 3.323 20 5 FGBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1ccccc1Br ZINC000603920684 506658727 /nfs/dbraw/zinc/65/87/27/506658727.db2.gz BZGDDOMGOOZPOV-UHFFFAOYSA-N 0 2 360.167 3.498 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1 ZINC000603970243 506676166 /nfs/dbraw/zinc/67/61/66/506676166.db2.gz YFPRSOCNSKYQJO-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(O)c(C)cc2C)c1C ZINC000612997935 506856966 /nfs/dbraw/zinc/85/69/66/506856966.db2.gz YNHIKLSOXAPVGI-UHFFFAOYSA-N 0 2 350.396 3.335 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c(C)c1O ZINC000590598174 506873464 /nfs/dbraw/zinc/87/34/64/506873464.db2.gz KIBWKSBNYWVZQU-UHFFFAOYSA-N 0 2 354.359 3.166 20 5 FGBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000597603166 507025352 /nfs/dbraw/zinc/02/53/52/507025352.db2.gz ADEUTMPYIDYJFW-IRWJRLHMSA-N 0 2 362.426 3.092 20 5 FGBDLN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1Cl ZINC000613994193 507326948 /nfs/dbraw/zinc/32/69/48/507326948.db2.gz FWHNSOXRKNDDON-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000598391373 507404320 /nfs/dbraw/zinc/40/43/20/507404320.db2.gz BJBINXHIRGWARO-UHFFFAOYSA-N 0 2 366.414 3.130 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000586791139 507672323 /nfs/dbraw/zinc/67/23/23/507672323.db2.gz DTUKLCIFXJXALU-RKDXNWHRSA-N 0 2 372.221 3.113 20 5 FGBDLN CCCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007709519 695575371 /nfs/dbraw/zinc/57/53/71/695575371.db2.gz DSKHGCJHDJAEIP-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2ccccc2Cl)n1 ZINC000092549841 700437394 /nfs/dbraw/zinc/43/73/94/700437394.db2.gz OTQXOVJPUDHWGB-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000092546229 700437407 /nfs/dbraw/zinc/43/74/07/700437407.db2.gz GYGXCCVBJGBCRH-ZDUSSCGKSA-N 0 2 357.149 3.279 20 5 FGBDLN CCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000121229492 700668385 /nfs/dbraw/zinc/66/83/85/700668385.db2.gz CNRPIXFTULVFID-UHFFFAOYSA-N 0 2 368.386 3.380 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000131398696 700814622 /nfs/dbraw/zinc/81/46/22/700814622.db2.gz RNWHVGOQUMHKPB-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CSC)c1 ZINC000521872613 714153316 /nfs/dbraw/zinc/15/33/16/714153316.db2.gz WIPHVYKYLZLOHV-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1F ZINC000748525856 722695044 /nfs/dbraw/zinc/69/50/44/722695044.db2.gz GOLSOSYLQIBKAH-UHFFFAOYSA-N 0 2 366.157 3.237 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C ZINC000790418588 723138188 /nfs/dbraw/zinc/13/81/88/723138188.db2.gz WRWZLRHTJUTNRE-JTQLQIEISA-N 0 2 370.406 3.319 20 5 FGBDLN Cc1sc(Cl)nc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000762865700 723286283 /nfs/dbraw/zinc/28/62/83/723286283.db2.gz PJSAMOWHLPAYBG-UHFFFAOYSA-N 0 2 364.774 3.051 20 5 FGBDLN COc1cc(COC(=O)c2cc(F)c(O)c(F)c2)c([N+](=O)[O-])cc1F ZINC000766209933 723561470 /nfs/dbraw/zinc/56/14/70/723561470.db2.gz QMTYVSDCNWQQHJ-UHFFFAOYSA-N 0 2 357.240 3.083 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(O)c1 ZINC000785491237 724916706 /nfs/dbraw/zinc/91/67/06/724916706.db2.gz SPYUMYZZFUJMBP-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NC1(C(F)F)CCCC1 ZINC000815046932 727025881 /nfs/dbraw/zinc/02/58/81/727025881.db2.gz HFGCDDJGBTWPRH-UHFFFAOYSA-N 0 2 372.752 3.244 20 5 FGBDLN CC(C)(NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccc1[N+](=O)[O-] ZINC000570994701 505628903 /nfs/dbraw/zinc/62/89/03/505628903.db2.gz SCSJQWVGMKFHNQ-UHFFFAOYSA-N 0 2 366.377 3.151 20 5 FGBDLN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031473781 493944974 /nfs/dbraw/zinc/94/49/74/493944974.db2.gz BBAOHYPNPXJPPY-UHFFFAOYSA-N 0 2 371.393 3.100 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000078967815 494384828 /nfs/dbraw/zinc/38/48/28/494384828.db2.gz FTDMQMONCMAUGY-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000016730366 494400812 /nfs/dbraw/zinc/40/08/12/494400812.db2.gz OQOIRRGSAPBCDP-UHFFFAOYSA-N 0 2 362.285 3.294 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000047521648 494726286 /nfs/dbraw/zinc/72/62/86/494726286.db2.gz CVFLMEYKDXPFRC-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132531711 494888944 /nfs/dbraw/zinc/88/89/44/494888944.db2.gz MUKPHPLHBAFIFA-GOSISDBHSA-N 0 2 367.336 3.354 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000127267427 494919608 /nfs/dbraw/zinc/91/96/08/494919608.db2.gz PJNXVVUJGVKYCH-UHFFFAOYSA-N 0 2 359.816 3.166 20 5 FGBDLN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000580459073 505764730 /nfs/dbraw/zinc/76/47/30/505764730.db2.gz YYNMGWIVSUXRJB-UHFFFAOYSA-N 0 2 366.333 3.480 20 5 FGBDLN COc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000129097699 495195615 /nfs/dbraw/zinc/19/56/15/495195615.db2.gz QEHRNUMDWDJJHF-SFHVURJKSA-N 0 2 368.345 3.421 20 5 FGBDLN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000119593574 495198272 /nfs/dbraw/zinc/19/82/72/495198272.db2.gz JMVLJYVJXGJJHV-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000103525775 495245810 /nfs/dbraw/zinc/24/58/10/495245810.db2.gz SVOFEMVJACLMPQ-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nccc(-c2ccco2)n1 ZINC000130660496 495426129 /nfs/dbraw/zinc/42/61/29/495426129.db2.gz LCLOXUNSVKAIIZ-UHFFFAOYSA-N 0 2 374.378 3.008 20 5 FGBDLN Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000106724084 495489501 /nfs/dbraw/zinc/48/95/01/495489501.db2.gz OWAJJUCKJWBAAL-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158627097 495554066 /nfs/dbraw/zinc/55/40/66/495554066.db2.gz YANBDXDIZBQISK-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)c1 ZINC000158657190 495559762 /nfs/dbraw/zinc/55/97/62/495559762.db2.gz PXBIEKLGSZRXLJ-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cc([N+](=O)[O-])ccc1O)CCC2 ZINC000179547021 495635139 /nfs/dbraw/zinc/63/51/39/495635139.db2.gz WKBABROOBUWADX-CYBMUJFWSA-N 0 2 361.423 3.469 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000182745882 495685876 /nfs/dbraw/zinc/68/58/76/495685876.db2.gz RDWGVDDGNFORQM-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1c(Br)cccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000171013089 495688903 /nfs/dbraw/zinc/68/89/03/495688903.db2.gz LWLLOJJGCDOILJ-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000176591213 495711854 /nfs/dbraw/zinc/71/18/54/495711854.db2.gz KIRKKPHMIHQLSQ-UHFFFAOYSA-N 0 2 370.456 3.288 20 5 FGBDLN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2F)n1 ZINC000160073627 495878340 /nfs/dbraw/zinc/87/83/40/495878340.db2.gz TYHVSEFIMIPTEK-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(O)c(F)c1 ZINC000177170494 495958354 /nfs/dbraw/zinc/95/83/54/495958354.db2.gz JFGXIDQTAIAYBM-UHFFFAOYSA-N 0 2 350.321 3.331 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ncc(-c2ccccc2)o1 ZINC000186927944 496214839 /nfs/dbraw/zinc/21/48/39/496214839.db2.gz QGSKPITVKBLDGJ-LLVKDONJSA-N 0 2 353.334 3.446 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C2CCCC2)nn1C ZINC000181105553 496272010 /nfs/dbraw/zinc/27/20/10/496272010.db2.gz SSQFOOWDSNKZNZ-UHFFFAOYSA-N 0 2 364.427 3.095 20 5 FGBDLN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000162503703 496362577 /nfs/dbraw/zinc/36/25/77/496362577.db2.gz ARQLJKXQJFHZGQ-LLVKDONJSA-N 0 2 357.366 3.081 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(COc2ccccc2F)on1 ZINC000184835135 496550537 /nfs/dbraw/zinc/55/05/37/496550537.db2.gz IVJTUAMKWHQPGH-UHFFFAOYSA-N 0 2 373.296 3.259 20 5 FGBDLN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000184878573 496568602 /nfs/dbraw/zinc/56/86/02/496568602.db2.gz WHIDDZRHRMILRI-ZDUSSCGKSA-N 0 2 361.423 3.469 20 5 FGBDLN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000164063437 496582762 /nfs/dbraw/zinc/58/27/62/496582762.db2.gz DDEBBEDQKJRHBM-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)CO1 ZINC000158043218 496615224 /nfs/dbraw/zinc/61/52/24/496615224.db2.gz GTVRDARNZVYBLR-SCLBCKFNSA-N 0 2 356.378 3.211 20 5 FGBDLN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c12 ZINC000182089926 496665069 /nfs/dbraw/zinc/66/50/69/496665069.db2.gz WLUQQTIDYVDTKU-UHFFFAOYSA-N 0 2 367.365 3.020 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000182092333 496667216 /nfs/dbraw/zinc/66/72/16/496667216.db2.gz FGCNTPDRIHAZPE-HOCLYGCPSA-N 0 2 360.410 3.445 20 5 FGBDLN CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000166113569 496678523 /nfs/dbraw/zinc/67/85/23/496678523.db2.gz FRJLYDXJRLIDRS-UHFFFAOYSA-N 0 2 371.393 3.215 20 5 FGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000185248846 496717483 /nfs/dbraw/zinc/71/74/83/496717483.db2.gz DYOUCPDMKAHHTR-UHFFFAOYSA-N 0 2 357.341 3.069 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000191564636 496813637 /nfs/dbraw/zinc/81/36/37/496813637.db2.gz RVHDEZXBMHTGSX-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000195450732 496926443 /nfs/dbraw/zinc/92/64/43/496926443.db2.gz BFFMRVPEUVUVIR-UHFFFAOYSA-N 0 2 368.798 3.374 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(C(F)F)c2)c([N+](=O)[O-])c1 ZINC000195451548 496926716 /nfs/dbraw/zinc/92/67/16/496926716.db2.gz FLUWWTQTOOZYTN-UHFFFAOYSA-N 0 2 358.322 3.342 20 5 FGBDLN CC(=O)CCc1ccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000271288027 497312473 /nfs/dbraw/zinc/31/24/73/497312473.db2.gz BGMYEKYLUADRGG-UHFFFAOYSA-N 0 2 372.377 3.230 20 5 FGBDLN Cc1nc(CC(C)C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000194647087 497728905 /nfs/dbraw/zinc/72/89/05/497728905.db2.gz HQMXHDHAVZRRJZ-UHFFFAOYSA-N 0 2 355.441 3.359 20 5 FGBDLN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000291986229 497827419 /nfs/dbraw/zinc/82/74/19/497827419.db2.gz UGJPUEKVNGUSNW-GOSISDBHSA-N 0 2 368.389 3.124 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccccc1)CC1CCOCC1 ZINC000281032442 497994422 /nfs/dbraw/zinc/99/44/22/497994422.db2.gz VMQUGEJWSBLUDP-UHFFFAOYSA-N 0 2 370.405 3.369 20 5 FGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCN(c2cccc(F)c2)CC1 ZINC000364982268 498238599 /nfs/dbraw/zinc/23/85/99/498238599.db2.gz OYRLJALNUOEEAR-UHFFFAOYSA-N 0 2 373.384 3.181 20 5 FGBDLN COc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000362105082 498466626 /nfs/dbraw/zinc/46/66/26/498466626.db2.gz FUKJRXTVGUDZEI-UHFFFAOYSA-N 0 2 354.362 3.239 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC000294259218 498636771 /nfs/dbraw/zinc/63/67/71/498636771.db2.gz UEKDSSOPROWXFM-ZBEGNZNMSA-N 0 2 369.377 3.314 20 5 FGBDLN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)n1 ZINC000370579746 499233423 /nfs/dbraw/zinc/23/34/23/499233423.db2.gz NHRDGFWTFFGXQW-UHFFFAOYSA-N 0 2 366.333 3.024 20 5 FGBDLN CC(C)c1nccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000371274152 499304760 /nfs/dbraw/zinc/30/47/60/499304760.db2.gz COAUBAINFIYEHG-UHFFFAOYSA-N 0 2 370.409 3.234 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413953422 500106267 /nfs/dbraw/zinc/10/62/67/500106267.db2.gz JUEVCWGOBFGWKD-SFHVURJKSA-N 0 2 368.389 3.294 20 5 FGBDLN CC(C)Oc1ccc(=NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]n1 ZINC000573377524 506183131 /nfs/dbraw/zinc/18/31/31/506183131.db2.gz AQWBHBHYYSMLFJ-UHFFFAOYSA-N 0 2 354.366 3.466 20 5 FGBDLN Cc1nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cc2s1 ZINC000427753564 500427757 /nfs/dbraw/zinc/42/77/57/500427757.db2.gz BOFPIBMZYIPLBQ-UHFFFAOYSA-N 0 2 364.408 3.017 20 5 FGBDLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442347851 500582697 /nfs/dbraw/zinc/58/26/97/500582697.db2.gz IPPUZDFBWTYCJC-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1C ZINC000437298703 500626392 /nfs/dbraw/zinc/62/63/92/500626392.db2.gz LXUQMGZPNCHPEK-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000592757001 506230403 /nfs/dbraw/zinc/23/04/03/506230403.db2.gz DLQODHHQSZRYTP-NSHDSACASA-N 0 2 350.762 3.044 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000436731283 501198795 /nfs/dbraw/zinc/19/87/95/501198795.db2.gz CESUDEWZCRGCAB-UHFFFAOYSA-N 0 2 355.350 3.068 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(C(F)(F)F)cs1 ZINC000436836619 501219082 /nfs/dbraw/zinc/21/90/82/501219082.db2.gz MOLJLRRPMODPHN-ZCFIWIBFSA-N 0 2 361.301 3.267 20 5 FGBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Br ZINC000436876513 501225360 /nfs/dbraw/zinc/22/53/60/501225360.db2.gz ZVJHEVGNPRLJMN-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436886964 501227369 /nfs/dbraw/zinc/22/73/69/501227369.db2.gz VNDLHPMZCKIEBK-UHFFFAOYSA-N 0 2 371.393 3.215 20 5 FGBDLN COc1cc(Cl)c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Cl ZINC000486080415 502040216 /nfs/dbraw/zinc/04/02/16/502040216.db2.gz VUGRVRXJWWUQGL-NSCUHMNNSA-N 0 2 358.137 3.282 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000478701704 502061556 /nfs/dbraw/zinc/06/15/56/502061556.db2.gz JELDEGDITDRXQJ-LLVKDONJSA-N 0 2 364.427 3.316 20 5 FGBDLN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000475459050 502178433 /nfs/dbraw/zinc/17/84/33/502178433.db2.gz AXYGQBPVJNDIPR-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2C)c1[N+](=O)[O-] ZINC000479587551 502307013 /nfs/dbraw/zinc/30/70/13/502307013.db2.gz FQKROWCNXFBQQQ-UHFFFAOYSA-N 0 2 363.439 3.387 20 5 FGBDLN COc1ncc(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000476425460 502485358 /nfs/dbraw/zinc/48/53/58/502485358.db2.gz CIDSLPHJKDVYNW-UHFFFAOYSA-N 0 2 371.802 3.069 20 5 FGBDLN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000473087484 502516796 /nfs/dbraw/zinc/51/67/96/502516796.db2.gz SCNHUZSAMMAQFS-OCCSQVGLSA-N 0 2 358.350 3.060 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1[N+](=O)[O-] ZINC000466956723 502739516 /nfs/dbraw/zinc/73/95/16/502739516.db2.gz AVBVIXWQLYFROX-UHFFFAOYSA-N 0 2 370.408 3.273 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000470493643 502794086 /nfs/dbraw/zinc/79/40/86/502794086.db2.gz WEAZXPLUVGQKTB-SNVBAGLBSA-N 0 2 352.416 3.331 20 5 FGBDLN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509233641 502855879 /nfs/dbraw/zinc/85/58/79/502855879.db2.gz HXXMSLHNTIAAFR-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000505615267 502951563 /nfs/dbraw/zinc/95/15/63/502951563.db2.gz SAIYOYVHJBJNEG-UHFFFAOYSA-N 0 2 355.325 3.119 20 5 FGBDLN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000506334989 503096710 /nfs/dbraw/zinc/09/67/10/503096710.db2.gz MTWCKZJZVVNZQI-SFHVURJKSA-N 0 2 362.332 3.459 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2csc3ccccc32)c1 ZINC000506568391 503137052 /nfs/dbraw/zinc/13/70/52/503137052.db2.gz OIUZPMQCJCJRIS-UHFFFAOYSA-N 0 2 350.377 3.316 20 5 FGBDLN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506804539 503175394 /nfs/dbraw/zinc/17/53/94/503175394.db2.gz CAPQACORXDMJLU-KDOFPFPSSA-N 0 2 356.378 3.198 20 5 FGBDLN CCOc1cc(CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OC ZINC000498636743 503230250 /nfs/dbraw/zinc/23/02/50/503230250.db2.gz VJAJXDCCKVLONR-UHFFFAOYSA-N 0 2 374.393 3.070 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000491583459 503321334 /nfs/dbraw/zinc/32/13/34/503321334.db2.gz JQAOOPVXQJKZBC-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000530440523 503965463 /nfs/dbraw/zinc/96/54/63/503965463.db2.gz RKHYJAXPBKJDBB-UHFFFAOYSA-N 0 2 366.443 3.407 20 5 FGBDLN CC(=O)c1cccc(OCCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000544407532 504121595 /nfs/dbraw/zinc/12/15/95/504121595.db2.gz DCVUIWFBICBCBE-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN CC[C@@H](C)n1nc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1C ZINC000538291827 504192893 /nfs/dbraw/zinc/19/28/93/504192893.db2.gz ZLFXIAOTATUMLG-MRVPVSSYSA-N 0 2 354.208 3.394 20 5 FGBDLN CC[C@](C)(NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000548146090 504347027 /nfs/dbraw/zinc/34/70/27/504347027.db2.gz JFZIRZPXEKYVOY-JTQLQIEISA-N 0 2 360.741 3.258 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000538753430 504358261 /nfs/dbraw/zinc/35/82/61/504358261.db2.gz NMKOKRBKPFAHAQ-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cn1cc(-c2ccc(F)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)cn1 ZINC000542091347 504360741 /nfs/dbraw/zinc/36/07/41/504360741.db2.gz ZDWIVYMWODIGBX-UHFFFAOYSA-N 0 2 356.313 3.092 20 5 FGBDLN Cc1[nH]nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000545380932 504466454 /nfs/dbraw/zinc/46/64/54/504466454.db2.gz NGSYQONLZNQAHV-UHFFFAOYSA-N 0 2 372.406 3.235 20 5 FGBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000545484830 504503541 /nfs/dbraw/zinc/50/35/41/504503541.db2.gz QWQWHLWGVNQKQR-UHFFFAOYSA-N 0 2 371.403 3.330 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000535686439 504507133 /nfs/dbraw/zinc/50/71/33/504507133.db2.gz UELBPWBWAPBUCU-LLVKDONJSA-N 0 2 364.427 3.441 20 5 FGBDLN O=C(NCc1cc(F)ccc1Br)c1cccc(O)c1[N+](=O)[O-] ZINC000539416237 504565427 /nfs/dbraw/zinc/56/54/27/504565427.db2.gz YOCYTVIDKXJLQT-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539490008 504587639 /nfs/dbraw/zinc/58/76/39/504587639.db2.gz QFGRGVIFAXYTLS-UHFFFAOYSA-N 0 2 361.301 3.048 20 5 FGBDLN O=C(CCc1cc2ccccc2[nH]c1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539971107 504751229 /nfs/dbraw/zinc/75/12/29/504751229.db2.gz UMVAQIMLHPYVNJ-UHFFFAOYSA-N 0 2 353.334 3.126 20 5 FGBDLN C/C=C/c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000550943862 505127924 /nfs/dbraw/zinc/12/79/24/505127924.db2.gz GRSBFJDFUALZFG-ONEGZZNKSA-N 0 2 358.350 3.360 20 5 FGBDLN CSc1cccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1[N+](=O)[O-] ZINC000552280153 505449127 /nfs/dbraw/zinc/44/91/27/505449127.db2.gz VVIKWKDCJFFIGW-UHFFFAOYSA-N 0 2 371.378 3.060 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccnn1CCC(C)C ZINC000564810248 505526753 /nfs/dbraw/zinc/52/67/53/505526753.db2.gz HZQINEIEHLDKEV-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H]2CCCCN2c2ccccc21 ZINC000567781116 505562368 /nfs/dbraw/zinc/56/23/68/505562368.db2.gz VSCZZRHHHJEBGZ-ZDUSSCGKSA-N 0 2 353.378 3.320 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000603978384 506678600 /nfs/dbraw/zinc/67/86/00/506678600.db2.gz BQUUQDKNBIVGQK-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(OCc2ccc(F)cc2)CC1 ZINC000600185284 506829349 /nfs/dbraw/zinc/82/93/49/506829349.db2.gz JQOKOXYHJIHYAD-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1O ZINC000612997855 506857613 /nfs/dbraw/zinc/85/76/13/506857613.db2.gz MXJVOULHCZIMOF-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2OCC2CC2)c([N+](=O)[O-])c1 ZINC000610124323 507106866 /nfs/dbraw/zinc/10/68/66/507106866.db2.gz DNRSXCDEOZGLIC-UHFFFAOYSA-N 0 2 362.407 3.493 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000598196859 507307850 /nfs/dbraw/zinc/30/78/50/507307850.db2.gz CGVRNWNCDXIKRD-HNNXBMFYSA-N 0 2 360.341 3.425 20 5 FGBDLN Cc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC000738637570 600131381 /nfs/dbraw/zinc/13/13/81/600131381.db2.gz IVYKGOMQZASNTP-UHFFFAOYSA-N 0 2 367.317 3.006 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)n1 ZINC000116600955 700595071 /nfs/dbraw/zinc/59/50/71/700595071.db2.gz NSDWSWCBEYZJOD-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120095939 700647901 /nfs/dbraw/zinc/64/79/01/700647901.db2.gz YPGQJXDISDYYTL-UHFFFAOYSA-N 0 2 362.816 3.428 20 5 FGBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000132364893 700826781 /nfs/dbraw/zinc/82/67/81/700826781.db2.gz QDVXHRPWDBXTDV-UHFFFAOYSA-N 0 2 369.374 3.025 20 5 FGBDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000153001604 704982056 /nfs/dbraw/zinc/98/20/56/704982056.db2.gz AMWXEUZSTAXDSS-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000619506878 714846722 /nfs/dbraw/zinc/84/67/22/714846722.db2.gz BDYRURBNDTYQBR-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN COc1c(C)ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1C ZINC000742026336 722551430 /nfs/dbraw/zinc/55/14/30/722551430.db2.gz BQHOJUHUYIUIAO-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN O=C1NC(=Cc2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1cccc(Cl)c1 ZINC000789999643 723093238 /nfs/dbraw/zinc/09/32/38/723093238.db2.gz ITPALINUNOQSAB-SDQBBNPISA-N 0 2 359.725 3.051 20 5 FGBDLN CCOc1ccccc1C(F)(F)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770864492 723722131 /nfs/dbraw/zinc/72/21/31/723722131.db2.gz YADVJCNPXUBKRT-UHFFFAOYSA-N 0 2 352.293 3.430 20 5 FGBDLN O=C(c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000788091737 725043740 /nfs/dbraw/zinc/04/37/40/725043740.db2.gz WGRBRNFAGBMJHV-UHFFFAOYSA-N 0 2 374.296 3.141 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C3CC3)ccn2)ccc1Cl ZINC000811837734 725382650 /nfs/dbraw/zinc/38/26/50/725382650.db2.gz BHGFOTBYALNARV-UHFFFAOYSA-N 0 2 353.787 3.321 20 5 FGBDLN Cc1csc(CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2nc3ccccc3s2)n1 ZINC000876014822 736048976 /nfs/dbraw/zinc/04/89/76/736048976.db2.gz PZXWQYMQGNOZRM-ZYHUDNBSSA-N 0 2 374.447 3.260 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2(c3ccc(Br)cc3)CCC2)no1 ZINC000897153781 742648910 /nfs/dbraw/zinc/64/89/10/742648910.db2.gz HACKNZLEBVBLRG-VXGBXAGGSA-N 0 2 364.199 3.435 20 5 FGBDLN Cc1csc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)n1 ZINC000899545144 742966901 /nfs/dbraw/zinc/96/69/01/742966901.db2.gz QRCQCIIXCUPAJV-GFCCVEGCSA-N 0 2 361.423 3.160 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000005681141 207111827 /nfs/dbraw/zinc/11/18/27/207111827.db2.gz ULDIWXXJAPZUON-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN CNC(=O)[C@@H]1CCCc2sc(/C=C/c3cc(O)ccc3[N+](=O)[O-])nc21 ZINC000580212506 505705738 /nfs/dbraw/zinc/70/57/38/505705738.db2.gz NXKMVCGAQNSVMP-FZKGZDJFSA-N 0 2 359.407 3.093 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCCCC2)nc1 ZINC000089531854 494321510 /nfs/dbraw/zinc/32/15/10/494321510.db2.gz TXFIDGVEZAMUPP-UHFFFAOYSA-N 0 2 356.382 3.328 20 5 FGBDLN O=C(Cc1csc(-c2cccnc2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531473 494322205 /nfs/dbraw/zinc/32/22/05/494322205.db2.gz BCGVZSMLTLSIGC-UHFFFAOYSA-N 0 2 356.363 3.000 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000055548919 494358948 /nfs/dbraw/zinc/35/89/48/494358948.db2.gz LSSACVMADVMLTN-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1Cl ZINC000055558220 494360529 /nfs/dbraw/zinc/36/05/29/494360529.db2.gz JVLYMUMRIRZMTB-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(OC(F)F)cc1 ZINC000079114427 494405754 /nfs/dbraw/zinc/40/57/54/494405754.db2.gz HOWKYRAAEFYRIY-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000024635381 494648552 /nfs/dbraw/zinc/64/85/52/494648552.db2.gz IRTVTTZJKBKEEG-UHFFFAOYSA-N 0 2 352.293 3.174 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-c2cncnc2)cc1 ZINC000126155365 494655876 /nfs/dbraw/zinc/65/58/76/494655876.db2.gz OBHDAVYKKPHACX-LBPRGKRZSA-N 0 2 364.361 3.248 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000093930870 494936596 /nfs/dbraw/zinc/93/65/96/494936596.db2.gz AZAFCXNCLOVMHU-UHFFFAOYSA-N 0 2 374.777 3.335 20 5 FGBDLN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000117987668 494968715 /nfs/dbraw/zinc/96/87/15/494968715.db2.gz PXLRSEIENDWPBN-INIZCTEOSA-N 0 2 355.394 3.344 20 5 FGBDLN Cc1cnn(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2F)c1 ZINC000118957239 495058119 /nfs/dbraw/zinc/05/81/19/495058119.db2.gz KVOJOJJOIPKDKU-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])c1 ZINC000119233958 495123577 /nfs/dbraw/zinc/12/35/77/495123577.db2.gz YHDTTWVHSZHLOQ-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000119737775 495229923 /nfs/dbraw/zinc/22/99/23/495229923.db2.gz OEIHVHLOPUTZBG-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000158625556 495553867 /nfs/dbraw/zinc/55/38/67/495553867.db2.gz XEIHAGTZLRYZFJ-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1OC ZINC000145545985 495556958 /nfs/dbraw/zinc/55/69/58/495556958.db2.gz AKUYTFAUJGWRNQ-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)CO1 ZINC000179520228 495626234 /nfs/dbraw/zinc/62/62/34/495626234.db2.gz YSBPLTKFIWPVNV-SCLBCKFNSA-N 0 2 356.378 3.211 20 5 FGBDLN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000159301445 495706010 /nfs/dbraw/zinc/70/60/10/495706010.db2.gz ASGWPFGTTJZNDA-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccc(C)cc1 ZINC000180036052 495831675 /nfs/dbraw/zinc/83/16/75/495831675.db2.gz HURBARPIWUXZJC-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc(C)n1 ZINC000186116709 495860394 /nfs/dbraw/zinc/86/03/94/495860394.db2.gz HIDLLKGVWXQDIE-UHFFFAOYSA-N 0 2 370.818 3.018 20 5 FGBDLN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nc2ccccc12 ZINC000171484387 495897725 /nfs/dbraw/zinc/89/77/25/495897725.db2.gz WZMMMVWQESMWNQ-UHFFFAOYSA-N 0 2 374.360 3.489 20 5 FGBDLN Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000162323785 496336280 /nfs/dbraw/zinc/33/62/80/496336280.db2.gz XAMPKPVJIOADAS-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184611862 496463764 /nfs/dbraw/zinc/46/37/64/496463764.db2.gz ILLWYGIOXSOQQU-UHFFFAOYSA-N 0 2 355.394 3.173 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184834979 496549889 /nfs/dbraw/zinc/54/98/89/496549889.db2.gz MUSFBQNQIYNTFG-NXEZZACHSA-N 0 2 352.268 3.460 20 5 FGBDLN CN(Cc1csc(Br)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181925122 496601704 /nfs/dbraw/zinc/60/17/04/496601704.db2.gz ZKZOQGFUTNUCBM-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000181926887 496602567 /nfs/dbraw/zinc/60/25/67/496602567.db2.gz CVLPSGBCIOBOCX-RDTXWAMCSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1cccc2c(=O)c(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)c[nH]c12 ZINC000164755973 496630835 /nfs/dbraw/zinc/63/08/35/496630835.db2.gz ILKHOABIHKYNJT-UHFFFAOYSA-N 0 2 363.373 3.356 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000165161307 496650970 /nfs/dbraw/zinc/65/09/70/496650970.db2.gz HRVMUPXBQSCYQT-UHFFFAOYSA-N 0 2 360.313 3.430 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccn(-c2c(F)cccc2F)n1 ZINC000166124870 496678034 /nfs/dbraw/zinc/67/80/34/496678034.db2.gz WWQNDNMXAQRZMV-UHFFFAOYSA-N 0 2 360.276 3.017 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000166180440 496679352 /nfs/dbraw/zinc/67/93/52/496679352.db2.gz HQOJJYJEJWEACZ-UHFFFAOYSA-N 0 2 367.317 3.143 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccc(F)cc1F ZINC000166173301 496680102 /nfs/dbraw/zinc/68/01/02/496680102.db2.gz DBZPWCGKCBLWFH-UHFFFAOYSA-N 0 2 374.303 3.325 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000182177079 496697783 /nfs/dbraw/zinc/69/77/83/496697783.db2.gz KSYBUJXIBDZJLP-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(F)F)c1 ZINC000195451473 496926731 /nfs/dbraw/zinc/92/67/31/496926731.db2.gz MXWIMRTXOUMQLG-UHFFFAOYSA-N 0 2 358.322 3.342 20 5 FGBDLN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000271480735 497359631 /nfs/dbraw/zinc/35/96/31/497359631.db2.gz JJTHZXSHEZTADE-ZDUSSCGKSA-N 0 2 372.377 3.228 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H](c3nnc[nH]3)c3ccccc3)c2c1 ZINC000572201713 505912550 /nfs/dbraw/zinc/91/25/50/505912550.db2.gz PQUYIBANQFPFRA-GOSISDBHSA-N 0 2 362.393 3.116 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000194161502 497590466 /nfs/dbraw/zinc/59/04/66/497590466.db2.gz TUMIZEGSCKTYES-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CC(=O)N1C[C@@H](CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000364397532 497939163 /nfs/dbraw/zinc/93/91/63/497939163.db2.gz MEMAZXABSGQLNU-CYBMUJFWSA-N 0 2 369.377 3.169 20 5 FGBDLN C[C@H](C(=O)c1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000321870865 498815270 /nfs/dbraw/zinc/81/52/70/498815270.db2.gz PYXZAQLULBUIIW-SNVBAGLBSA-N 0 2 353.783 3.293 20 5 FGBDLN O=C(Nc1cnn(-c2ccccc2Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000368512870 499303359 /nfs/dbraw/zinc/30/33/59/499303359.db2.gz YCEICGOHECSSLX-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN Cc1ccccc1NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371616730 499347848 /nfs/dbraw/zinc/34/78/48/499347848.db2.gz PTCWATGTJRJICA-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000369083188 499363997 /nfs/dbraw/zinc/36/39/97/499363997.db2.gz DHCQTNAKKQGPBY-SFHVURJKSA-N 0 2 367.336 3.354 20 5 FGBDLN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000375800763 499556864 /nfs/dbraw/zinc/55/68/64/499556864.db2.gz DNTBZOVQJMRHGJ-GTNSWQLSSA-N 0 2 360.341 3.042 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000376138660 499585919 /nfs/dbraw/zinc/58/59/19/499585919.db2.gz DFHULDBCOXNBQI-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1cccnc1 ZINC000377298630 499677840 /nfs/dbraw/zinc/67/78/40/499677840.db2.gz OJIAZWVCQRIHPU-YJBOKZPZSA-N 0 2 360.845 3.426 20 5 FGBDLN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000412283574 499841157 /nfs/dbraw/zinc/84/11/57/499841157.db2.gz CUNGHAXIWDCFFV-OAHLLOKOSA-N 0 2 358.398 3.398 20 5 FGBDLN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579496229 506189317 /nfs/dbraw/zinc/18/93/17/506189317.db2.gz AKDITWXJOIPPRS-DYVFJYSZSA-N 0 2 372.425 3.327 20 5 FGBDLN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579496229 506189318 /nfs/dbraw/zinc/18/93/18/506189318.db2.gz AKDITWXJOIPPRS-DYVFJYSZSA-N 0 2 372.425 3.327 20 5 FGBDLN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCN=c1[nH]nc(C2CC2)s1 ZINC000432130517 500474594 /nfs/dbraw/zinc/47/45/94/500474594.db2.gz RJSMCUGKSOWGPU-UHFFFAOYSA-N 0 2 373.360 3.288 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n(-c2ccc(F)cc2)n1 ZINC000436959563 500578980 /nfs/dbraw/zinc/57/89/80/500578980.db2.gz AMPKQYCATFHCLW-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436958565 500579226 /nfs/dbraw/zinc/57/92/26/500579226.db2.gz IRFVTGGQNBBRRT-GOEBONIOSA-N 0 2 362.769 3.214 20 5 FGBDLN CSc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1O)OCCO2 ZINC000436967742 500581642 /nfs/dbraw/zinc/58/16/42/500581642.db2.gz YLYAQMDMGHKUSY-UHFFFAOYSA-N 0 2 362.363 3.046 20 5 FGBDLN CC(C)(C)c1nc(=NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)s[nH]1 ZINC000448219023 500735390 /nfs/dbraw/zinc/73/53/90/500735390.db2.gz XCBDYZYIBLLJEW-UHFFFAOYSA-N 0 2 374.344 3.437 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000438808723 500821587 /nfs/dbraw/zinc/82/15/87/500821587.db2.gz GTDUYDADOTURFL-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN Cc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c(C)c1 ZINC000445361000 500977215 /nfs/dbraw/zinc/97/72/15/500977215.db2.gz LERCHDTYRCPRBU-UHFFFAOYSA-N 0 2 368.349 3.148 20 5 FGBDLN CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436602738 501167744 /nfs/dbraw/zinc/16/77/44/501167744.db2.gz GINOGXDZOBTLTM-LLVKDONJSA-N 0 2 360.366 3.199 20 5 FGBDLN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436633658 501174548 /nfs/dbraw/zinc/17/45/48/501174548.db2.gz HFDRRJKINZYTLK-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000436715839 501195645 /nfs/dbraw/zinc/19/56/45/501195645.db2.gz YSIZHUOXHZXQMN-CQSZACIVSA-N 0 2 362.769 3.247 20 5 FGBDLN COc1cc2c(cc1Cl)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000436776796 501210012 /nfs/dbraw/zinc/21/00/12/501210012.db2.gz LZYAZKQTIHBTID-UHFFFAOYSA-N 0 2 362.769 3.161 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(C(F)(F)F)cs1 ZINC000436837446 501218974 /nfs/dbraw/zinc/21/89/74/501218974.db2.gz OUOAWCTTXJODCP-LURJTMIESA-N 0 2 361.301 3.267 20 5 FGBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(OC)c(OC)c1 ZINC000436866195 501224163 /nfs/dbraw/zinc/22/41/63/501224163.db2.gz WEMJUPWIQQUTJE-CQSZACIVSA-N 0 2 360.366 3.199 20 5 FGBDLN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(Cl)c1 ZINC000436871437 501224855 /nfs/dbraw/zinc/22/48/55/501224855.db2.gz SSGDVZKRLFYQTH-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436892472 501228367 /nfs/dbraw/zinc/22/83/67/501228367.db2.gz JORMHLDRQYVZTI-GDBMZVCRSA-N 0 2 362.769 3.214 20 5 FGBDLN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000456921199 501619639 /nfs/dbraw/zinc/61/96/39/501619639.db2.gz KHGHSNOXULVLJO-HDJSIYSDSA-N 0 2 356.378 3.327 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000478067407 501872010 /nfs/dbraw/zinc/87/20/10/501872010.db2.gz YFHZQBIAVZRJDR-ZDUSSCGKSA-N 0 2 356.334 3.006 20 5 FGBDLN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)OC(C)C ZINC000474712694 501930359 /nfs/dbraw/zinc/93/03/59/501930359.db2.gz VJYCJOQRPIIZOW-SFHVURJKSA-N 0 2 374.393 3.205 20 5 FGBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000478316025 501940074 /nfs/dbraw/zinc/94/00/74/501940074.db2.gz QSBIHEGWUJCWKU-UHFFFAOYSA-N 0 2 363.255 3.050 20 5 FGBDLN Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Br ZINC000486056524 502032971 /nfs/dbraw/zinc/03/29/71/502032971.db2.gz WGINQFGZNYTIRM-SNAWJCMRSA-N 0 2 352.144 3.037 20 5 FGBDLN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000486274566 502107939 /nfs/dbraw/zinc/10/79/39/502107939.db2.gz HKLYSURPMNDSQX-LLVKDONJSA-N 0 2 357.366 3.081 20 5 FGBDLN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468838717 502201185 /nfs/dbraw/zinc/20/11/85/502201185.db2.gz FCRQHGGDIJEBGK-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000487341621 502421699 /nfs/dbraw/zinc/42/16/99/502421699.db2.gz DPVMWLIMHIIASC-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000469511754 502446941 /nfs/dbraw/zinc/44/69/41/502446941.db2.gz HCHYTZQGKUCMLB-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000480228919 502507638 /nfs/dbraw/zinc/50/76/38/502507638.db2.gz RXXPQDBDDNXLEF-GFCCVEGCSA-N 0 2 366.443 3.488 20 5 FGBDLN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469897252 502588690 /nfs/dbraw/zinc/58/86/90/502588690.db2.gz LHFZXIFFOFPOHW-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1OC ZINC000592988178 506323598 /nfs/dbraw/zinc/32/35/98/506323598.db2.gz RLZAKNUKHZLLGT-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c([N+](=O)[O-])c1 ZINC000509559962 502934926 /nfs/dbraw/zinc/93/49/26/502934926.db2.gz VRYKDWRKCXHIHV-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN CSc1cccc(F)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000509594659 502944209 /nfs/dbraw/zinc/94/42/09/502944209.db2.gz WTVNXILULCXUGU-UHFFFAOYSA-N 0 2 374.390 3.073 20 5 FGBDLN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000588856286 506359119 /nfs/dbraw/zinc/35/91/19/506359119.db2.gz NKVOHITVVGSZPY-NSHDSACASA-N 0 2 373.394 3.001 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1 ZINC000491057981 503266906 /nfs/dbraw/zinc/26/69/06/503266906.db2.gz GNKXWEGEZPGLQV-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN COc1ccc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491594289 503322599 /nfs/dbraw/zinc/32/25/99/503322599.db2.gz OTPRTLSPVFECRM-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000499069143 503326235 /nfs/dbraw/zinc/32/62/35/503326235.db2.gz UJQSTIGXIIJLFH-SNVBAGLBSA-N 0 2 363.395 3.212 20 5 FGBDLN COc1ccc2cc(CNC(=O)c3cccc(O)c3[N+](=O)[O-])ccc2c1 ZINC000536864548 503743253 /nfs/dbraw/zinc/74/32/53/503743253.db2.gz SZYAZRVCRMKMFN-UHFFFAOYSA-N 0 2 352.346 3.392 20 5 FGBDLN O=C(NCCc1csc(-c2ccccc2)n1)c1cccc(O)c1[N+](=O)[O-] ZINC000537286862 503869002 /nfs/dbraw/zinc/86/90/02/503869002.db2.gz MZPLWJCQMDDCBX-UHFFFAOYSA-N 0 2 369.402 3.396 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Oc2cnccn2)c1 ZINC000537770344 504034916 /nfs/dbraw/zinc/03/49/16/504034916.db2.gz PYIWRUOZCAUMIW-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000538348146 504217081 /nfs/dbraw/zinc/21/70/81/504217081.db2.gz KHQUVWOOERYTOB-HNNXBMFYSA-N 0 2 374.368 3.261 20 5 FGBDLN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000538387537 504230528 /nfs/dbraw/zinc/23/05/28/504230528.db2.gz PHNQYRHBECMYFJ-SNVBAGLBSA-N 0 2 357.391 3.271 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000519789536 504339494 /nfs/dbraw/zinc/33/94/94/504339494.db2.gz NAHGSSPQCNSTDY-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1[C@@H](C)C1CC1 ZINC000542236133 504416818 /nfs/dbraw/zinc/41/68/18/504416818.db2.gz YWUWWVDSQQUGAF-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN CCOc1ccc(C(=O)CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000542518957 504523736 /nfs/dbraw/zinc/52/37/36/504523736.db2.gz NFRUQYXCCFGEQH-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2c(C)noc2C2CC2)cc1[N+](=O)[O-] ZINC000520812657 504588533 /nfs/dbraw/zinc/58/85/33/504588533.db2.gz CKENDDJLNOXOKA-UHFFFAOYSA-N 0 2 351.384 3.132 20 5 FGBDLN COc1cc(C)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000521177675 504671413 /nfs/dbraw/zinc/67/14/13/504671413.db2.gz GSYGNYMJGGBBIB-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccnn2CCC(C)C)cc1[N+](=O)[O-] ZINC000556037431 504783969 /nfs/dbraw/zinc/78/39/69/504783969.db2.gz RIYNMONWWOPNML-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cn(CC(C)C)nc2C(F)F)n1 ZINC000557642881 505191643 /nfs/dbraw/zinc/19/16/43/505191643.db2.gz TVISGNYVYAYRLG-UHFFFAOYSA-N 0 2 369.328 3.310 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(c2nc3ccccc3s2)C1 ZINC000552327713 505462049 /nfs/dbraw/zinc/46/20/49/505462049.db2.gz FJJFOBKIQOPWES-UHFFFAOYSA-N 0 2 355.375 3.150 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000612057936 506414768 /nfs/dbraw/zinc/41/47/68/506414768.db2.gz BEAYQBBVARDNMR-UHFFFAOYSA-N 0 2 362.285 3.294 20 5 FGBDLN COc1cccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000612335059 506533111 /nfs/dbraw/zinc/53/31/11/506533111.db2.gz CHUGSCUOYBBNSD-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000603983067 506680272 /nfs/dbraw/zinc/68/02/72/506680272.db2.gz GPJUVTXUURKIDC-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000593738487 506753647 /nfs/dbraw/zinc/75/36/47/506753647.db2.gz TUZVYPGXPMCAEW-ACJLOTCBSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000593738487 506753654 /nfs/dbraw/zinc/75/36/54/506753654.db2.gz TUZVYPGXPMCAEW-ACJLOTCBSA-N 0 2 356.378 3.255 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000593734952 506754144 /nfs/dbraw/zinc/75/41/44/506754144.db2.gz POLYFFZUSOIZGR-KRWDZBQOSA-N 0 2 360.341 3.006 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000593734952 506754155 /nfs/dbraw/zinc/75/41/55/506754155.db2.gz POLYFFZUSOIZGR-KRWDZBQOSA-N 0 2 360.341 3.006 20 5 FGBDLN CC(C)COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000609321287 506851240 /nfs/dbraw/zinc/85/12/40/506851240.db2.gz AFJAILVRPACJKA-UHFFFAOYSA-N 0 2 358.394 3.308 20 5 FGBDLN CCOCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCc2ccccc21 ZINC000600443694 506955564 /nfs/dbraw/zinc/95/55/64/506955564.db2.gz IGUYULPSCJVEGY-SFHVURJKSA-N 0 2 370.405 3.467 20 5 FGBDLN O=C(N[C@@H](c1ccccc1)C1(CO)CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597851949 507132762 /nfs/dbraw/zinc/13/27/62/507132762.db2.gz JIWQMOSVSDNXFU-SFHVURJKSA-N 0 2 370.405 3.324 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)CCOC3)cc1C ZINC000594696772 507244330 /nfs/dbraw/zinc/24/43/30/507244330.db2.gz NGZCDWYZUCCUEK-UHFFFAOYSA-N 0 2 362.407 3.085 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc3c2CCCC3)c(Cl)c1 ZINC000594726800 507256674 /nfs/dbraw/zinc/25/66/74/507256674.db2.gz TZIZDQWQGQNUGA-UHFFFAOYSA-N 0 2 367.814 3.323 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)cc2cccnc21 ZINC000611278332 507600624 /nfs/dbraw/zinc/60/06/24/507600624.db2.gz NNHRVKWPTYFPJY-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CCn1c(CSc2ccccc2[N+](=O)[O-])n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000592409810 507646649 /nfs/dbraw/zinc/64/66/49/507646649.db2.gz JBDYHIRLIHTMTG-UHFFFAOYSA-N 0 2 373.442 3.004 20 5 FGBDLN Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595973937 507753479 /nfs/dbraw/zinc/75/34/79/507753479.db2.gz JICTVVWWKVLUGY-CQSZACIVSA-N 0 2 370.409 3.441 20 5 FGBDLN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000078002319 700271988 /nfs/dbraw/zinc/27/19/88/700271988.db2.gz KEZKKHMWQPSXJB-UHFFFAOYSA-N 0 2 352.343 3.046 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)cs1 ZINC000120269494 700651713 /nfs/dbraw/zinc/65/17/13/700651713.db2.gz ISOJMMPURDYSSN-UHFFFAOYSA-N 0 2 368.314 3.198 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000617229623 714638810 /nfs/dbraw/zinc/63/88/10/714638810.db2.gz KZMBOGGHWINDCO-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN COc1ncc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000761899639 723194127 /nfs/dbraw/zinc/19/41/27/723194127.db2.gz FZRAGLUXFQTLLL-UHFFFAOYSA-N 0 2 371.802 3.069 20 5 FGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2c(F)cccc2F)cc1Cl ZINC000775071294 723958250 /nfs/dbraw/zinc/95/82/50/723958250.db2.gz OMSRVABPQZXJRL-UHFFFAOYSA-N 0 2 362.741 3.468 20 5 FGBDLN COc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000775295533 723978751 /nfs/dbraw/zinc/97/87/51/723978751.db2.gz QAJYQLFGPVNZBP-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(OC/C=C\Cl)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387153 724298729 /nfs/dbraw/zinc/29/87/29/724298729.db2.gz SJQNYJSYJKTFNT-RJRFIUFISA-N 0 2 358.137 3.049 20 5 FGBDLN CC(C)(CCc1noc(-c2cccc(Br)c2O)n1)[N+](=O)[O-] ZINC000812815561 726814594 /nfs/dbraw/zinc/81/45/94/726814594.db2.gz PVARFZKRZZVDLM-UHFFFAOYSA-N 0 2 356.176 3.193 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000579832813 505629240 /nfs/dbraw/zinc/62/92/40/505629240.db2.gz VBFVJAPERVNLKS-NSHDSACASA-N 0 2 364.427 3.126 20 5 FGBDLN CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000038707916 494116941 /nfs/dbraw/zinc/11/69/41/494116941.db2.gz PPMMAFJEFCVLTN-XBXARRHUSA-N 0 2 374.374 3.406 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(COCC2CC2)c1 ZINC000064938362 494159369 /nfs/dbraw/zinc/15/93/69/494159369.db2.gz WGJNTZGOZSITIU-UHFFFAOYSA-N 0 2 362.407 3.322 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1Br ZINC000089531083 494321701 /nfs/dbraw/zinc/32/17/01/494321701.db2.gz NHMIMPVTJGAHCJ-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000574182479 505713911 /nfs/dbraw/zinc/71/39/11/505713911.db2.gz RRIOEVPJHUFTCE-UHFFFAOYSA-N 0 2 356.712 3.476 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000055618913 494373952 /nfs/dbraw/zinc/37/39/52/494373952.db2.gz JZVUCBZEAOJCEP-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000055619624 494374035 /nfs/dbraw/zinc/37/40/35/494374035.db2.gz CABZIJKVVWKPDU-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(OC(F)F)cc1 ZINC000079114428 494405372 /nfs/dbraw/zinc/40/53/72/494405372.db2.gz HOWKYRAAEFYRIY-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)c(Br)c1 ZINC000092549745 494666526 /nfs/dbraw/zinc/66/65/26/494666526.db2.gz ZOAXGEMQZCEBPP-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000108639820 494755933 /nfs/dbraw/zinc/75/59/33/494755933.db2.gz XXTIRYIPWXMDTK-UHFFFAOYSA-N 0 2 366.443 3.026 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)c(Cl)c1 ZINC000126799967 494840617 /nfs/dbraw/zinc/84/06/17/494840617.db2.gz YGVMDTLVLPOEOE-UHFFFAOYSA-N 0 2 370.818 3.430 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCc2cc(OC(F)F)ccc21 ZINC000133015035 494956715 /nfs/dbraw/zinc/95/67/15/494956715.db2.gz KUNAQUIWTJVHKC-UHFFFAOYSA-N 0 2 364.304 3.495 20 5 FGBDLN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C ZINC000119418889 495163460 /nfs/dbraw/zinc/16/34/60/495163460.db2.gz NVYWRULVJWIIMP-UHFFFAOYSA-N 0 2 354.409 3.277 20 5 FGBDLN CCCN1C(=O)CCc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC000119718701 495225783 /nfs/dbraw/zinc/22/57/83/495225783.db2.gz IXMFODHLMRLLPO-UHFFFAOYSA-N 0 2 369.377 3.242 20 5 FGBDLN COCc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131257130 495513600 /nfs/dbraw/zinc/51/36/00/495513600.db2.gz GFKNWYJDGCCRQZ-UHFFFAOYSA-N 0 2 356.787 3.195 20 5 FGBDLN O=C(c1cc(F)cc(Cl)c1O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000158851285 495601433 /nfs/dbraw/zinc/60/14/33/495601433.db2.gz NAGWCBOGTXBZSV-UHFFFAOYSA-N 0 2 350.733 3.291 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000150751144 495621909 /nfs/dbraw/zinc/62/19/09/495621909.db2.gz ZVTYVOTXZWGOFG-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154586098 495663035 /nfs/dbraw/zinc/66/30/35/495663035.db2.gz ZNRPHRVXPYAVRW-GOSISDBHSA-N 0 2 371.437 3.206 20 5 FGBDLN CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154585990 495663381 /nfs/dbraw/zinc/66/33/81/495663381.db2.gz ZNRPHRVXPYAVRW-SFHVURJKSA-N 0 2 371.437 3.206 20 5 FGBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000176596429 495714529 /nfs/dbraw/zinc/71/45/29/495714529.db2.gz HCYMWAOOTVWJNP-UHFFFAOYSA-N 0 2 362.820 3.024 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1C ZINC000176599789 495715742 /nfs/dbraw/zinc/71/57/42/495715742.db2.gz GPSXOLKPTSBQIW-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000174011618 495787647 /nfs/dbraw/zinc/78/76/47/495787647.db2.gz NYPRTUWXNVVVDP-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000176969746 495863789 /nfs/dbraw/zinc/86/37/89/495863789.db2.gz XKMFGNAQDPKJJG-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000183203744 495879227 /nfs/dbraw/zinc/87/92/27/495879227.db2.gz MVLILMQEZSPZRA-UHFFFAOYSA-N 0 2 361.832 3.458 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000160163190 495898367 /nfs/dbraw/zinc/89/83/67/495898367.db2.gz SCPUBURDUATKBL-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1Cl ZINC000160547463 495989708 /nfs/dbraw/zinc/98/97/08/495989708.db2.gz LEEXFQCUURUWTL-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1ccnc(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)n1 ZINC000183629993 496054631 /nfs/dbraw/zinc/05/46/31/496054631.db2.gz UFOWZWMBYFSDHN-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN O=C(Cc1cc(Br)ccc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000180764805 496137088 /nfs/dbraw/zinc/13/70/88/496137088.db2.gz CKHVACXWEKJNAS-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN Cc1nc2cc(F)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2nc1C ZINC000180773708 496140958 /nfs/dbraw/zinc/14/09/58/496140958.db2.gz HKOKJVBXMWILOA-UHFFFAOYSA-N 0 2 356.313 3.252 20 5 FGBDLN Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000180776808 496142583 /nfs/dbraw/zinc/14/25/83/496142583.db2.gz SXGBFFHTIJWVRC-UHFFFAOYSA-N 0 2 372.406 3.346 20 5 FGBDLN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183900548 496153832 /nfs/dbraw/zinc/15/38/32/496153832.db2.gz IVYBUIFZHRNFAW-MRVPVSSYSA-N 0 2 354.721 3.499 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[nH]n1 ZINC000152566097 496190024 /nfs/dbraw/zinc/19/00/24/496190024.db2.gz NJCQAURRLRDZOS-UHFFFAOYSA-N 0 2 352.416 3.078 20 5 FGBDLN COCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184797775 496536273 /nfs/dbraw/zinc/53/62/73/496536273.db2.gz UQBHVJPHWKMSHE-UHFFFAOYSA-N 0 2 373.390 3.090 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000181873011 496580189 /nfs/dbraw/zinc/58/01/89/496580189.db2.gz BMIVXKLUSKCEAN-UHFFFAOYSA-N 0 2 355.325 3.119 20 5 FGBDLN C[S@](=O)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Cl ZINC000157940018 496590723 /nfs/dbraw/zinc/59/07/23/496590723.db2.gz VJIQNAGZIMERAT-XMMPIXPASA-N 0 2 368.798 3.085 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000165249796 496653477 /nfs/dbraw/zinc/65/34/77/496653477.db2.gz RJPTZTYHSCXNER-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166157064 496678216 /nfs/dbraw/zinc/67/82/16/496678216.db2.gz SAZLXOSPHLYLSE-UHFFFAOYSA-N 0 2 368.349 3.137 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000182163875 496694021 /nfs/dbraw/zinc/69/40/21/496694021.db2.gz OMMVEWLQLQRPAT-AWEZNQCLSA-N 0 2 362.769 3.247 20 5 FGBDLN Cc1cc(Br)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000230224650 497103306 /nfs/dbraw/zinc/10/33/06/497103306.db2.gz KZHAPAJQSOVBJK-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000192710643 497191624 /nfs/dbraw/zinc/19/16/24/497191624.db2.gz YNZFYTMCWJMCTA-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(C)cc1C ZINC000279862660 497568789 /nfs/dbraw/zinc/56/87/89/497568789.db2.gz FWGVPKVSSRXZQW-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000194745703 497757054 /nfs/dbraw/zinc/75/70/54/497757054.db2.gz BWIIYLNKLVAHEF-GFCCVEGCSA-N 0 2 367.361 3.461 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000572553804 505995991 /nfs/dbraw/zinc/99/59/91/505995991.db2.gz DAASOWJLHZJRIC-ZDUSSCGKSA-N 0 2 362.769 3.247 20 5 FGBDLN Cc1ccc(-n2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cn2)c(C)c1 ZINC000581840243 506071333 /nfs/dbraw/zinc/07/13/33/506071333.db2.gz AGKBDWCWGYSJKP-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cccc(F)c3)sc2c1 ZINC000323658295 498822490 /nfs/dbraw/zinc/82/24/90/498822490.db2.gz LMMLJVZJNUITSM-UHFFFAOYSA-N 0 2 353.356 3.144 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000368427494 499295020 /nfs/dbraw/zinc/29/50/20/499295020.db2.gz VTMHKQDJUUDSPV-LBPRGKRZSA-N 0 2 368.798 3.229 20 5 FGBDLN O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000369348327 499394310 /nfs/dbraw/zinc/39/43/10/499394310.db2.gz SMOZWXWALWOOJC-SFHVURJKSA-N 0 2 356.378 3.198 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2nc3ccccc3o2)CC1 ZINC000375726508 499549433 /nfs/dbraw/zinc/54/94/33/499549433.db2.gz IVKLMDFPNWZKHG-UHFFFAOYSA-N 0 2 367.361 3.461 20 5 FGBDLN Cc1ccccc1COC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376107281 499583501 /nfs/dbraw/zinc/58/35/01/499583501.db2.gz REZPAEXFDILHOS-UHFFFAOYSA-N 0 2 370.405 3.430 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)c(C)cc1[N+](=O)[O-] ZINC000414380732 499783651 /nfs/dbraw/zinc/78/36/51/499783651.db2.gz JNGJELPCNIRZPH-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c(C)cc1[N+](=O)[O-] ZINC000414462842 499795153 /nfs/dbraw/zinc/79/51/53/499795153.db2.gz ZCTHFLNVCFVQAJ-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2n[nH]c3ccc(F)cc32)c1 ZINC000573369109 506181084 /nfs/dbraw/zinc/18/10/84/506181084.db2.gz UKMTYPRYARHSBQ-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN CCn1nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1C1CC1 ZINC000425980012 500220124 /nfs/dbraw/zinc/22/01/24/500220124.db2.gz MKTKRHHKZBBWDI-UHFFFAOYSA-N 0 2 364.427 3.106 20 5 FGBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000573379738 506183958 /nfs/dbraw/zinc/18/39/58/506183958.db2.gz SZUOBAQZIDPTGA-UHFFFAOYSA-N 0 2 369.358 3.112 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC000582321230 506186446 /nfs/dbraw/zinc/18/64/46/506186446.db2.gz IRWAWAKLBGCWBO-VOJFVSQTSA-N 0 2 369.377 3.314 20 5 FGBDLN O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436980001 500585520 /nfs/dbraw/zinc/58/55/20/500585520.db2.gz LYYMRPYYHRYOFF-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)cc1O ZINC000445229527 500957743 /nfs/dbraw/zinc/95/77/43/500957743.db2.gz UNVYIALXIPGWCQ-UHFFFAOYSA-N 0 2 352.228 3.431 20 5 FGBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000592756999 506230981 /nfs/dbraw/zinc/23/09/81/506230981.db2.gz DLQODHHQSZRYTP-LLVKDONJSA-N 0 2 350.762 3.044 20 5 FGBDLN COc1ccc([C@H]2C[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1F ZINC000436516231 501145760 /nfs/dbraw/zinc/14/57/60/501145760.db2.gz YFELKBFPPKJWRJ-HAQNSBGRSA-N 0 2 360.341 3.124 20 5 FGBDLN COc1ccccc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000436615742 501169952 /nfs/dbraw/zinc/16/99/52/501169952.db2.gz FSSJUPKUMRFUDJ-SFHVURJKSA-N 0 2 368.345 3.421 20 5 FGBDLN O=C(Nc1n[nH]c(-c2ccc(O)c(Cl)c2)n1)c1ccc([N+](=O)[O-])s1 ZINC000436628557 501173720 /nfs/dbraw/zinc/17/37/20/501173720.db2.gz ICIVAAWPTOOGEV-UHFFFAOYSA-N 0 2 365.758 3.053 20 5 FGBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000446949128 501185015 /nfs/dbraw/zinc/18/50/15/501185015.db2.gz SRZJPCOULOOMGZ-UHFFFAOYSA-N 0 2 367.452 3.303 20 5 FGBDLN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]2C ZINC000436716066 501195582 /nfs/dbraw/zinc/19/55/82/501195582.db2.gz RQOKHECLBXEVPV-VXGBXAGGSA-N 0 2 356.378 3.457 20 5 FGBDLN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436795841 501212531 /nfs/dbraw/zinc/21/25/31/501212531.db2.gz RSQUSNCHBWCBIV-QGZVFWFLSA-N 0 2 356.378 3.459 20 5 FGBDLN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(OC)c(OC)c1 ZINC000436857468 501222168 /nfs/dbraw/zinc/22/21/68/501222168.db2.gz AHGGRKMALOGJDJ-CQSZACIVSA-N 0 2 360.366 3.199 20 5 FGBDLN CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1O)O[C@H](C)C2 ZINC000436869218 501224679 /nfs/dbraw/zinc/22/46/79/501224679.db2.gz MGJPEQMCWWMAPC-SNVBAGLBSA-N 0 2 358.350 3.275 20 5 FGBDLN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436872032 501224956 /nfs/dbraw/zinc/22/49/56/501224956.db2.gz RRWLMHFGMWHQJO-MRXNPFEDSA-N 0 2 372.377 3.295 20 5 FGBDLN CCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C1CC1 ZINC000451077550 501243717 /nfs/dbraw/zinc/24/37/17/501243717.db2.gz BSNLVUBFQVXHGZ-UHFFFAOYSA-N 0 2 364.427 3.188 20 5 FGBDLN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000456916497 501618873 /nfs/dbraw/zinc/61/88/73/501618873.db2.gz AVJQCKNBZAFVOJ-CTYIDZIISA-N 0 2 356.378 3.327 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)ccc2cccnc21 ZINC000481947396 501926636 /nfs/dbraw/zinc/92/66/36/501926636.db2.gz YBVHLWFEPUPSHZ-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000478692956 502058841 /nfs/dbraw/zinc/05/88/41/502058841.db2.gz BXJOLCHFNXGJOH-SNVBAGLBSA-N 0 2 364.427 3.316 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000478698498 502060867 /nfs/dbraw/zinc/06/08/67/502060867.db2.gz IRLPUBVRPTXZGM-SNVBAGLBSA-N 0 2 350.400 3.008 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)cccc1SC ZINC000471970166 502187197 /nfs/dbraw/zinc/18/71/97/502187197.db2.gz MTUPIACIXQKCQQ-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN CCOc1ccc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OCC ZINC000469226908 502343634 /nfs/dbraw/zinc/34/36/34/502343634.db2.gz ZSLDELJWRYOZEJ-UHFFFAOYSA-N 0 2 374.393 3.070 20 5 FGBDLN Cc1sc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1[N+](=O)[O-] ZINC000479764432 502370684 /nfs/dbraw/zinc/37/06/84/502370684.db2.gz SKYNDMYGNZJXBX-UHFFFAOYSA-N 0 2 365.321 3.280 20 5 FGBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000483440535 502393929 /nfs/dbraw/zinc/39/39/29/502393929.db2.gz OCDJGWDPNFUZDG-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000480199290 502499164 /nfs/dbraw/zinc/49/91/64/502499164.db2.gz QMFTWBIIBRQUNA-NSHDSACASA-N 0 2 366.443 3.488 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000480227403 502506051 /nfs/dbraw/zinc/50/60/51/502506051.db2.gz QTZDCQYXTLDGTQ-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000505218043 502871413 /nfs/dbraw/zinc/87/14/13/502871413.db2.gz UFAZQGOZJZFVRR-LLVKDONJSA-N 0 2 370.340 3.116 20 5 FGBDLN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509900070 503008448 /nfs/dbraw/zinc/00/84/48/503008448.db2.gz TXAXUJOPXKUEPI-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN O=C(NCc1ccc(F)cc1Br)c1cc(O)ccc1[N+](=O)[O-] ZINC000507452600 503301060 /nfs/dbraw/zinc/30/10/60/503301060.db2.gz WOYVANNQJTURIU-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc2[nH]ncc21 ZINC000499271595 503370463 /nfs/dbraw/zinc/37/04/63/503370463.db2.gz IHBNAQSRSBOMKR-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(CSC)c2)c([N+](=O)[O-])c1 ZINC000517565824 503773782 /nfs/dbraw/zinc/77/37/82/503773782.db2.gz CBGKDPGNIOYUCW-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1OC(F)F ZINC000534068276 504031714 /nfs/dbraw/zinc/03/17/14/504031714.db2.gz GYPGPTSMVYBXNV-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1[C@@H](C)C1CC1 ZINC000541307265 504083187 /nfs/dbraw/zinc/08/31/87/504083187.db2.gz JVHHDMMWIDVTPI-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000531132206 504198916 /nfs/dbraw/zinc/19/89/16/504198916.db2.gz ZTYKTPUPEOXGGW-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000548091772 504326737 /nfs/dbraw/zinc/32/67/37/504326737.db2.gz ZGDNSTMPDFIJJQ-SNVBAGLBSA-N 0 2 350.758 3.151 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000535707026 504514798 /nfs/dbraw/zinc/51/47/98/504514798.db2.gz NCKZSCSVINKBCU-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(C)cc1 ZINC000536193807 504662856 /nfs/dbraw/zinc/66/28/56/504662856.db2.gz VDHXYXKVEUDKQT-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]nc1-c1ccccc1 ZINC000536308926 504693568 /nfs/dbraw/zinc/69/35/68/504693568.db2.gz UTASSLZBFDJZHB-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN COc1ccc(OC(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000521633347 504767320 /nfs/dbraw/zinc/76/73/20/504767320.db2.gz ZSCFWLZXTNSABJ-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]=c2[n-]ncn2-c2ccccc2)o1 ZINC000559995673 504966221 /nfs/dbraw/zinc/96/62/21/504966221.db2.gz BYOWPYDJTGNKHF-UHFFFAOYSA-N 0 2 361.361 3.470 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3F)sc2c1 ZINC000551039271 505146510 /nfs/dbraw/zinc/14/65/10/505146510.db2.gz MPPLFQZSXKMTJV-UHFFFAOYSA-N 0 2 371.346 3.284 20 5 FGBDLN COCc1nnc([C@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000566707441 505249979 /nfs/dbraw/zinc/24/99/79/505249979.db2.gz SFWNMBBCNJEAFY-CQSZACIVSA-N 0 2 365.821 3.240 20 5 FGBDLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000564728434 505504854 /nfs/dbraw/zinc/50/48/54/505504854.db2.gz IHPHELZCUNELKP-GFCCVEGCSA-N 0 2 352.416 3.199 20 5 FGBDLN Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1O ZINC000612997940 506857574 /nfs/dbraw/zinc/85/75/74/506857574.db2.gz UUYLZUZIDQQCTE-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cccc3cccnc32)c(F)cc1[N+](=O)[O-] ZINC000590598282 506874076 /nfs/dbraw/zinc/87/40/76/506874076.db2.gz UDKXWVLMZRSFNI-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)c([N+](=O)[O-])c1 ZINC000609812674 507012323 /nfs/dbraw/zinc/01/23/23/507012323.db2.gz JHSFAGBGGQIYOX-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000600673700 507058370 /nfs/dbraw/zinc/05/83/70/507058370.db2.gz HZMYNIPNMOGEKY-KRWDZBQOSA-N 0 2 360.366 3.159 20 5 FGBDLN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2occc2[C@H]1C(=O)[O-] ZINC000600673700 507058378 /nfs/dbraw/zinc/05/83/78/507058378.db2.gz HZMYNIPNMOGEKY-KRWDZBQOSA-N 0 2 360.366 3.159 20 5 FGBDLN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC3 ZINC000586037107 507650027 /nfs/dbraw/zinc/65/00/27/507650027.db2.gz MYKZQBBZDGUNES-UHFFFAOYSA-N 0 2 351.362 3.289 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC000116603574 700595593 /nfs/dbraw/zinc/59/55/93/700595593.db2.gz SVKHBZZHSKZSBD-UHFFFAOYSA-N 0 2 359.816 3.166 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OCC(F)F)cs1 ZINC000120289383 700652271 /nfs/dbraw/zinc/65/22/71/700652271.db2.gz JTFPOCRETGKPPR-UHFFFAOYSA-N 0 2 364.351 3.101 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)ccc1Cl ZINC000192735894 712872333 /nfs/dbraw/zinc/87/23/33/712872333.db2.gz JDMPXEYEJWRLNK-UHFFFAOYSA-N 0 2 373.843 3.384 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1CCC(C)C ZINC000618609655 714761362 /nfs/dbraw/zinc/76/13/62/714761362.db2.gz RJWHWUWAWPSXPO-UHFFFAOYSA-N 0 2 366.443 3.201 20 5 FGBDLN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000753837344 722915323 /nfs/dbraw/zinc/91/53/23/722915323.db2.gz FHODEKPHVMKKGV-CYBMUJFWSA-N 0 2 371.176 3.071 20 5 FGBDLN O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000753983993 722921531 /nfs/dbraw/zinc/92/15/31/722921531.db2.gz JRRCJPMHNGUNPI-CQSZACIVSA-N 0 2 371.176 3.071 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c([C@@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795381351 723586896 /nfs/dbraw/zinc/58/68/96/723586896.db2.gz POMGQFGHSGPHEG-SECBINFHSA-N 0 2 372.349 3.036 20 5 FGBDLN CN(C)C(=O)Sc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000796310525 723632257 /nfs/dbraw/zinc/63/22/57/723632257.db2.gz OMPFUKVWDVKCOX-UHFFFAOYSA-N 0 2 361.379 3.326 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000769631434 723691059 /nfs/dbraw/zinc/69/10/59/723691059.db2.gz SCLVYPNXTJXKDU-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000799125306 723989566 /nfs/dbraw/zinc/98/95/66/723989566.db2.gz CBECTGVNHBPQPU-UHFFFAOYSA-N 0 2 371.802 3.151 20 5 FGBDLN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(Cl)c1O ZINC000811565877 725373610 /nfs/dbraw/zinc/37/36/10/725373610.db2.gz BLGCCDDCCWOUTD-UHFFFAOYSA-N 0 2 359.769 3.408 20 5 FGBDLN CCCOc1c(Cl)cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1OC ZINC000842489934 730508051 /nfs/dbraw/zinc/50/80/51/730508051.db2.gz XNKPTKWPACLIFD-MWLCHTKSSA-N 0 2 353.762 3.320 20 5 FGBDLN CC(C)(C)Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000576823685 505602941 /nfs/dbraw/zinc/60/29/41/505602941.db2.gz VSLMXRJDWHZTTN-UHFFFAOYSA-N 0 2 355.441 3.441 20 5 FGBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000052779001 494061254 /nfs/dbraw/zinc/06/12/54/494061254.db2.gz SQLRTKSJWHPBHT-UHFFFAOYSA-N 0 2 359.367 3.011 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000035347041 494075415 /nfs/dbraw/zinc/07/54/15/494075415.db2.gz AFMBCHWZEDIFTK-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN O=C(c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000014414326 494318036 /nfs/dbraw/zinc/31/80/36/494318036.db2.gz NUAPNILCKCBCAZ-UHFFFAOYSA-N 0 2 354.362 3.036 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(SC)cc1 ZINC000055576460 494364347 /nfs/dbraw/zinc/36/43/47/494364347.db2.gz YYFVVNCBQKHUCO-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)c1C ZINC000045713036 494453433 /nfs/dbraw/zinc/45/34/33/494453433.db2.gz MYNLTSCDRXDGAQ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000121287784 494684220 /nfs/dbraw/zinc/68/42/20/494684220.db2.gz UKISGHZSMOWKPP-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN CCc1cccc2c(CCNC(=O)c3ccc([N+](=O)[O-])c(O)c3)c[nH]c21 ZINC000111646591 495091565 /nfs/dbraw/zinc/09/15/65/495091565.db2.gz XGGAHWUNJTVNHZ-UHFFFAOYSA-N 0 2 353.378 3.317 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1[N+](=O)[O-] ZINC000119303955 495137458 /nfs/dbraw/zinc/13/74/58/495137458.db2.gz GPEYJJIXOTZPJW-UHFFFAOYSA-N 0 2 366.420 3.285 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000105549048 495371564 /nfs/dbraw/zinc/37/15/64/495371564.db2.gz GCEVIKUUMZJEGK-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1)C1CC1 ZINC000568802373 505780290 /nfs/dbraw/zinc/78/02/90/505780290.db2.gz VXVYMRZCWWBZJQ-UHFFFAOYSA-N 0 2 355.350 3.068 20 5 FGBDLN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000151265309 495788182 /nfs/dbraw/zinc/78/81/82/495788182.db2.gz YMZBTVGVKMGCJT-UHFFFAOYSA-N 0 2 369.402 3.396 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c1C ZINC000152351976 496125583 /nfs/dbraw/zinc/12/55/83/496125583.db2.gz GYCFHZNNUAYBAO-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000180768167 496138978 /nfs/dbraw/zinc/13/89/78/496138978.db2.gz IGPBMYWIPNEAGE-UHFFFAOYSA-N 0 2 370.283 3.423 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000162945546 496437837 /nfs/dbraw/zinc/43/78/37/496437837.db2.gz LHIWWIUBNXEDHV-SNVBAGLBSA-N 0 2 352.416 3.331 20 5 FGBDLN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184769494 496525541 /nfs/dbraw/zinc/52/55/41/496525541.db2.gz VXDYINXAMJMGFB-UHFFFAOYSA-N 0 2 353.378 3.238 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1C ZINC000187745852 496553843 /nfs/dbraw/zinc/55/38/43/496553843.db2.gz WQXNIFSHHQQZDI-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000157803574 496558379 /nfs/dbraw/zinc/55/83/79/496558379.db2.gz FWGMHODGJOINNB-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN CCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1Cc1ccccc1 ZINC000166096453 496676970 /nfs/dbraw/zinc/67/69/70/496676970.db2.gz CSFWZMMMMKXCAX-UHFFFAOYSA-N 0 2 366.377 3.360 20 5 FGBDLN O=C(Cc1cc(F)ccc1Br)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166110072 496678240 /nfs/dbraw/zinc/67/82/40/496678240.db2.gz GFJLOCCFNISZQY-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN COc1ccc(C(C)(C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC000273208769 496740946 /nfs/dbraw/zinc/74/09/46/496740946.db2.gz MUSLYJCLGZYVLP-UHFFFAOYSA-N 0 2 360.366 3.234 20 5 FGBDLN COCc1cccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000189246143 497057199 /nfs/dbraw/zinc/05/71/99/497057199.db2.gz HXHNVDAZCSEWDV-UHFFFAOYSA-N 0 2 350.396 3.159 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1C1CCCC1 ZINC000194223267 497606964 /nfs/dbraw/zinc/60/69/64/497606964.db2.gz ZWWPKAUXRSZXOB-UHFFFAOYSA-N 0 2 350.400 3.016 20 5 FGBDLN Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000280984172 497976028 /nfs/dbraw/zinc/97/60/28/497976028.db2.gz PUOVYYIEUWDOMY-CYBMUJFWSA-N 0 2 372.377 3.419 20 5 FGBDLN Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C2CCCCC2)n1 ZINC000296749190 498180924 /nfs/dbraw/zinc/18/09/24/498180924.db2.gz PNEDXBBXOAYTHN-UHFFFAOYSA-N 0 2 364.427 3.177 20 5 FGBDLN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000298813893 498886789 /nfs/dbraw/zinc/88/67/89/498886789.db2.gz ZTYBKTGZZUIYFB-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ncccc2Cl)CC1 ZINC000372910763 499193437 /nfs/dbraw/zinc/19/34/37/499193437.db2.gz JNJBOEKNPKULPB-UHFFFAOYSA-N 0 2 361.785 3.369 20 5 FGBDLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000409531031 499604133 /nfs/dbraw/zinc/60/41/33/499604133.db2.gz AJVGEYMIMGEBOR-SNVBAGLBSA-N 0 2 367.452 3.367 20 5 FGBDLN CCOc1cccc(S(=O)(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c1 ZINC000410335098 499655631 /nfs/dbraw/zinc/65/56/31/499655631.db2.gz KSKAFKHORYTABR-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)cc1O ZINC000576502670 506174181 /nfs/dbraw/zinc/17/41/81/506174181.db2.gz DFESMZOJPDLRIA-UHFFFAOYSA-N 0 2 352.228 3.431 20 5 FGBDLN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)OC(C)C ZINC000436938518 500574706 /nfs/dbraw/zinc/57/47/06/500574706.db2.gz MEFZINVVIUAGHY-SFHVURJKSA-N 0 2 374.393 3.205 20 5 FGBDLN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436952183 500577531 /nfs/dbraw/zinc/57/75/31/500577531.db2.gz VLHRPAQOVYOYFC-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OC(F)F ZINC000436956190 500578670 /nfs/dbraw/zinc/57/86/70/500578670.db2.gz PPHDBCXMSHKVAQ-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CCCCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000436967222 500581625 /nfs/dbraw/zinc/58/16/25/500581625.db2.gz PTSVYCXIIBUTQM-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000436974589 500584861 /nfs/dbraw/zinc/58/48/61/500584861.db2.gz ZVCQMEQBOMAHSC-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1cccc(F)c1 ZINC000437001289 500590853 /nfs/dbraw/zinc/59/08/53/500590853.db2.gz CNRYXNIAPASEIX-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000438822807 500823397 /nfs/dbraw/zinc/82/33/97/500823397.db2.gz WZAIBWZTWZEIPT-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cn4cccn4)cc3)no2)cc1O ZINC000445217006 500955938 /nfs/dbraw/zinc/95/59/38/500955938.db2.gz YESYJSCODXZMSI-UHFFFAOYSA-N 0 2 363.333 3.262 20 5 FGBDLN CCc1[nH+]c2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445385915 500979937 /nfs/dbraw/zinc/97/99/37/500979937.db2.gz QLJSKDYRMFNPKU-UHFFFAOYSA-N 0 2 365.349 3.311 20 5 FGBDLN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CSc2n[nH]c(=O)[nH]2)cc1OC ZINC000446070056 501068868 /nfs/dbraw/zinc/06/88/68/501068868.db2.gz JEWADSRKANODQH-SECBINFHSA-N 0 2 368.415 3.144 20 5 FGBDLN Cc1[nH+]c2cc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc2n1C1CC1 ZINC000436511334 501143995 /nfs/dbraw/zinc/14/39/95/501143995.db2.gz HGCZTCDYFYZYJP-UHFFFAOYSA-N 0 2 366.377 3.223 20 5 FGBDLN O=C(NCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436860619 501222752 /nfs/dbraw/zinc/22/27/52/501222752.db2.gz QFPTXNRAALFUJS-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000436868489 501224462 /nfs/dbraw/zinc/22/44/62/501224462.db2.gz JSNJEBBNRHVNEL-BETUJISGSA-N 0 2 371.393 3.166 20 5 FGBDLN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436871190 501224961 /nfs/dbraw/zinc/22/49/61/501224961.db2.gz IZHUNJHGQAXFOC-NSHDSACASA-N 0 2 354.366 3.161 20 5 FGBDLN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436892744 501228583 /nfs/dbraw/zinc/22/85/83/501228583.db2.gz MRLSXNBRIMHLAK-HNNXBMFYSA-N 0 2 358.398 3.398 20 5 FGBDLN COC(=O)c1cnc(Nc2cnn(CC(C)C)c2C(F)F)c([N+](=O)[O-])c1 ZINC000477729185 501770562 /nfs/dbraw/zinc/77/05/62/501770562.db2.gz RAPHEGHGAFLGDX-UHFFFAOYSA-N 0 2 369.328 3.310 20 5 FGBDLN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000485436821 501821485 /nfs/dbraw/zinc/82/14/85/501821485.db2.gz NVGCLNBWARXUNA-MGPLVRAMSA-N 0 2 364.785 3.460 20 5 FGBDLN CCOc1c(Cl)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000486053342 502031923 /nfs/dbraw/zinc/03/19/23/502031923.db2.gz QYRHMZIVYQVLFY-PLNGDYQASA-N 0 2 367.745 3.027 20 5 FGBDLN Cc1nn(C)c2cc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc12 ZINC000461331993 502072761 /nfs/dbraw/zinc/07/27/61/502072761.db2.gz LTWXVAYPKKZOHW-UHFFFAOYSA-N 0 2 374.422 3.208 20 5 FGBDLN Cc1c2ccc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2nn1C ZINC000461339246 502075574 /nfs/dbraw/zinc/07/55/74/502075574.db2.gz DOLKISCAODIFFV-UHFFFAOYSA-N 0 2 374.422 3.208 20 5 FGBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(Cl)c1F ZINC000482660296 502143425 /nfs/dbraw/zinc/14/34/25/502143425.db2.gz LOUAAPVINGSGEG-UHFFFAOYSA-N 0 2 368.704 3.132 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c(F)c1 ZINC000479115330 502167696 /nfs/dbraw/zinc/16/76/96/502167696.db2.gz OKAUEJRXJVBJRY-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1ccsc1-c1nc(=NC(=O)c2csc([N+](=O)[O-])c2)s[nH]1 ZINC000472268327 502292369 /nfs/dbraw/zinc/29/23/69/502292369.db2.gz GVPLLTJSUNWPQY-UHFFFAOYSA-N 0 2 352.422 3.219 20 5 FGBDLN COc1ccc2cc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2c1 ZINC000469444469 502421442 /nfs/dbraw/zinc/42/14/42/502421442.db2.gz LWJGKPSLYBCAME-UHFFFAOYSA-N 0 2 352.346 3.392 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000469516652 502448442 /nfs/dbraw/zinc/44/84/42/502448442.db2.gz FTHOKKKHVRYXDX-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592967869 506315710 /nfs/dbraw/zinc/31/57/10/506315710.db2.gz MHPBHULQJUWZBY-UHFFFAOYSA-N 0 2 356.382 3.209 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000473321864 502565298 /nfs/dbraw/zinc/56/52/98/502565298.db2.gz PLRDFTGNGASUDG-HNNXBMFYSA-N 0 2 374.368 3.261 20 5 FGBDLN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000473346730 502569725 /nfs/dbraw/zinc/56/97/25/502569725.db2.gz FICUSYZYTZWODV-UHFFFAOYSA-N 0 2 360.276 3.017 20 5 FGBDLN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccc(F)cc2O1 ZINC000489117069 502882751 /nfs/dbraw/zinc/88/27/51/502882751.db2.gz OSYJUZMIBODZES-ZDUSSCGKSA-N 0 2 360.341 3.472 20 5 FGBDLN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506804538 503175770 /nfs/dbraw/zinc/17/57/70/503175770.db2.gz CAPQACORXDMJLU-KBXCAEBGSA-N 0 2 356.378 3.198 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000514811203 503198209 /nfs/dbraw/zinc/19/82/09/503198209.db2.gz ZBSYHFXHXYKPBL-UHFFFAOYSA-N 0 2 351.362 3.301 20 5 FGBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000502731160 503259946 /nfs/dbraw/zinc/25/99/46/503259946.db2.gz AQVIGQOEJBBLTR-UHFFFAOYSA-N 0 2 365.374 3.269 20 5 FGBDLN CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1F ZINC000507599576 503329098 /nfs/dbraw/zinc/32/90/98/503329098.db2.gz KGSIJAONSQAJIT-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000499292913 503373570 /nfs/dbraw/zinc/37/35/70/503373570.db2.gz WGYGPRBAOLULFR-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499590590 503438342 /nfs/dbraw/zinc/43/83/42/503438342.db2.gz VSPDPBQQEFDFBX-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN O=C(NCCOc1cccc2ccccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000508688207 503543530 /nfs/dbraw/zinc/54/35/30/503543530.db2.gz HBHNQWKZYDRVRX-UHFFFAOYSA-N 0 2 352.346 3.262 20 5 FGBDLN O=[N+]([O-])c1cccc(CCN=c2[nH]nc(Cc3ccc(F)cc3)s2)c1 ZINC000543436441 503769811 /nfs/dbraw/zinc/76/98/11/503769811.db2.gz IMHSYYPTXXEYFS-UHFFFAOYSA-N 0 2 358.398 3.253 20 5 FGBDLN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000540542555 503811297 /nfs/dbraw/zinc/81/12/97/503811297.db2.gz BGXZDNGDTHEZHA-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN O=C(NCc1cc(Br)cs1)c1cccc(O)c1[N+](=O)[O-] ZINC000537212663 503844338 /nfs/dbraw/zinc/84/43/38/503844338.db2.gz ZTQPRWZDSRQNAJ-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1[C@@H](C)C1CC1 ZINC000541301303 504079605 /nfs/dbraw/zinc/07/96/05/504079605.db2.gz DJYZTMUXANQJDB-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000531342109 504272568 /nfs/dbraw/zinc/27/25/68/504272568.db2.gz TXYAROIEBXCHNF-LLVKDONJSA-N 0 2 369.406 3.418 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 ZINC000542714608 504585173 /nfs/dbraw/zinc/58/51/73/504585173.db2.gz LKKTUZXQTLJFTO-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CC(C)(C)Cc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000539555378 504606209 /nfs/dbraw/zinc/60/62/09/504606209.db2.gz FIGMZGVSIBGSHZ-UHFFFAOYSA-N 0 2 355.441 3.441 20 5 FGBDLN COCCOc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539974114 504751972 /nfs/dbraw/zinc/75/19/72/504751972.db2.gz ODDGSVPHICWRAJ-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000549532307 504843455 /nfs/dbraw/zinc/84/34/55/504843455.db2.gz QSMJDTHAABGWPV-KRWDZBQOSA-N 0 2 365.393 3.423 20 5 FGBDLN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000549532307 504843459 /nfs/dbraw/zinc/84/34/59/504843459.db2.gz QSMJDTHAABGWPV-KRWDZBQOSA-N 0 2 365.393 3.423 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000557647680 505193324 /nfs/dbraw/zinc/19/33/24/505193324.db2.gz XTYRGOZHEKFSJS-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@H]1F ZINC000555455388 505434869 /nfs/dbraw/zinc/43/48/69/505434869.db2.gz AZQHODBIJBONMC-BDAKNGLRSA-N 0 2 357.190 3.071 20 5 FGBDLN COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 ZINC000612535325 506615003 /nfs/dbraw/zinc/61/50/03/506615003.db2.gz PCFYBSPCKAMSBC-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC=CCC1 ZINC000593553380 506682200 /nfs/dbraw/zinc/68/22/00/506682200.db2.gz MZBDAOHFJIDITR-SFHVURJKSA-N 0 2 362.382 3.307 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc([C@H](C)OC)c1 ZINC000608875638 506733780 /nfs/dbraw/zinc/73/37/80/506733780.db2.gz PGPUVUZPOQJGDG-NSHDSACASA-N 0 2 366.395 3.112 20 5 FGBDLN CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])c2cc(F)ccc2O1 ZINC000593815703 506785662 /nfs/dbraw/zinc/78/56/62/506785662.db2.gz OIDHDDWEERVSML-CYBMUJFWSA-N 0 2 360.341 3.472 20 5 FGBDLN Cc1cc(C)cc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000609135940 506788096 /nfs/dbraw/zinc/78/80/96/506788096.db2.gz IPMRTQOOHAHENJ-UHFFFAOYSA-N 0 2 367.365 3.014 20 5 FGBDLN Cc1cc(Cl)ccc1OCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609442872 506882883 /nfs/dbraw/zinc/88/28/83/506882883.db2.gz PQGJWCKCJOINEY-UHFFFAOYSA-N 0 2 364.785 3.461 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccccc2OCC2CC2)ccc1[N+](=O)[O-] ZINC000610124462 507106645 /nfs/dbraw/zinc/10/66/45/507106645.db2.gz MSABBPQSTLAESQ-UHFFFAOYSA-N 0 2 362.407 3.493 20 5 FGBDLN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC3 ZINC000613883791 507289410 /nfs/dbraw/zinc/28/94/10/507289410.db2.gz OFCDLIZTEFNVTI-UHFFFAOYSA-N 0 2 351.362 3.289 20 5 FGBDLN Cc1cccn2cc(CCNc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])[nH+]c12 ZINC000832981568 601200939 /nfs/dbraw/zinc/20/09/39/601200939.db2.gz CAWKBNBFPSZZMM-ALCCZGGFSA-N 0 2 366.377 3.303 20 5 FGBDLN CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000074115439 695977387 /nfs/dbraw/zinc/97/73/87/695977387.db2.gz KVYXKZPITSOCPH-UHFFFAOYSA-N 0 2 355.803 3.115 20 5 FGBDLN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120008026 700645586 /nfs/dbraw/zinc/64/55/86/700645586.db2.gz PMPMOMYKSMDNBM-UHFFFAOYSA-N 0 2 361.832 3.177 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)ccc1Cl ZINC000132822030 700831780 /nfs/dbraw/zinc/83/17/80/700831780.db2.gz SPCVOUWLZCJIDN-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN CCC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000135392486 704844043 /nfs/dbraw/zinc/84/40/43/704844043.db2.gz SUHNBRQKSKVCSB-UHFFFAOYSA-N 0 2 366.370 3.436 20 5 FGBDLN Cc1cccc2sc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc21 ZINC000194332577 713518670 /nfs/dbraw/zinc/51/86/70/713518670.db2.gz ANGRGMGYIDJVPB-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C ZINC000790418589 723138021 /nfs/dbraw/zinc/13/80/21/723138021.db2.gz WRWZLRHTJUTNRE-SNVBAGLBSA-N 0 2 370.406 3.319 20 5 FGBDLN COCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC000795361433 723585086 /nfs/dbraw/zinc/58/50/86/723585086.db2.gz SPYZSWPHEIOWOS-UHFFFAOYSA-N 0 2 374.777 3.335 20 5 FGBDLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000768865152 723670121 /nfs/dbraw/zinc/67/01/21/723670121.db2.gz IBDLXOLOVMKXMM-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1ncc(-c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)o1 ZINC000768865815 723670208 /nfs/dbraw/zinc/67/02/08/723670208.db2.gz KKSRNIWTROAKDJ-UHFFFAOYSA-N 0 2 365.392 3.421 20 5 FGBDLN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1ccc([N+](=O)[O-])cc1O ZINC000772983256 723773808 /nfs/dbraw/zinc/77/38/08/723773808.db2.gz DSFNDKKXUPMNCJ-UHFFFAOYSA-N 0 2 360.326 3.210 20 5 FGBDLN CC(C)CCc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000786899389 725006559 /nfs/dbraw/zinc/00/65/59/725006559.db2.gz YSKXYRHLFBQFRE-UHFFFAOYSA-N 0 2 372.834 3.361 20 5 FGBDLN Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)ccc1[N+](=O)[O-] ZINC000081731238 493947588 /nfs/dbraw/zinc/94/75/88/493947588.db2.gz YUZVTHMFOUIALM-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077025473 494010649 /nfs/dbraw/zinc/01/06/49/494010649.db2.gz FLLIDRGZVJTTIG-QFYYESIMSA-N 0 2 364.785 3.460 20 5 FGBDLN COc1cc(OC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000014221118 494311043 /nfs/dbraw/zinc/31/10/43/494311043.db2.gz HLEMSKQTFRYPFN-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000055633027 494377989 /nfs/dbraw/zinc/37/79/89/494377989.db2.gz DKXXKOXSLVVSTA-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025532178 494754714 /nfs/dbraw/zinc/75/47/14/494754714.db2.gz BZFYYPCSIRMBND-UHFFFAOYSA-N 0 2 355.325 3.119 20 5 FGBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000119020898 495072077 /nfs/dbraw/zinc/07/20/77/495072077.db2.gz UEFBVLUVWQCEDC-QMMMGPOBSA-N 0 2 360.313 3.052 20 5 FGBDLN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000101682759 495091255 /nfs/dbraw/zinc/09/12/55/495091255.db2.gz CEERYAJUBHOYRX-UHFFFAOYSA-N 0 2 371.324 3.067 20 5 FGBDLN CCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cnn1CC(C)C ZINC000119416843 495162277 /nfs/dbraw/zinc/16/22/77/495162277.db2.gz UVXAAPIPEMIYRB-UHFFFAOYSA-N 0 2 372.472 3.180 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000129390121 495238490 /nfs/dbraw/zinc/23/84/90/495238490.db2.gz QVMJYEIBJZQKPT-MRXNPFEDSA-N 0 2 356.378 3.122 20 5 FGBDLN O=C(c1cc(F)cc(Cl)c1O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000129760719 495291844 /nfs/dbraw/zinc/29/18/44/495291844.db2.gz KYWIOYMEBUXAMX-UHFFFAOYSA-N 0 2 350.733 3.291 20 5 FGBDLN O=c1nc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]c2ccsc21 ZINC000130995867 495477274 /nfs/dbraw/zinc/47/72/74/495477274.db2.gz YXVARCYZSKMSJS-UHFFFAOYSA-N 0 2 356.407 3.057 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000179442191 495592488 /nfs/dbraw/zinc/59/24/88/495592488.db2.gz KMGVLASYZYUPQQ-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000179507965 495620215 /nfs/dbraw/zinc/62/02/15/495620215.db2.gz VSHQTWNHYVJEON-SFHVURJKSA-N 0 2 374.368 3.025 20 5 FGBDLN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185779529 495722801 /nfs/dbraw/zinc/72/28/01/495722801.db2.gz RJJJDYCTZIBUPR-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176971505 495863721 /nfs/dbraw/zinc/86/37/21/495863721.db2.gz COFXDFSQOQOGGS-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160179161 495902325 /nfs/dbraw/zinc/90/23/25/495902325.db2.gz VBFNGBLNKOYVOJ-UHFFFAOYSA-N 0 2 373.434 3.414 20 5 FGBDLN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183553182 496028408 /nfs/dbraw/zinc/02/84/08/496028408.db2.gz HQQNDWBSDMEOMV-KRWDZBQOSA-N 0 2 356.378 3.293 20 5 FGBDLN CN(C)c1nc2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2s1 ZINC000180765765 496137795 /nfs/dbraw/zinc/13/77/95/496137795.db2.gz FKDQTDRBBPNMKA-UHFFFAOYSA-N 0 2 364.408 3.290 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ncc(-c2ccccc2)o1 ZINC000186927919 496215361 /nfs/dbraw/zinc/21/53/61/496215361.db2.gz QGSKPITVKBLDGJ-NSHDSACASA-N 0 2 353.334 3.446 20 5 FGBDLN Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184362172 496351530 /nfs/dbraw/zinc/35/15/30/496351530.db2.gz FKNRUSVHUMHNJD-UHFFFAOYSA-N 0 2 373.434 3.414 20 5 FGBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000181663976 496493424 /nfs/dbraw/zinc/49/34/24/496493424.db2.gz XCZOJVJGSOVDNI-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN CCOc1cccc(NCc2nnc(COc3ccccc3)[nH]2)c1[N+](=O)[O-] ZINC000184778120 496529576 /nfs/dbraw/zinc/52/95/76/496529576.db2.gz VJYSGZOFGLDLEK-UHFFFAOYSA-N 0 2 369.381 3.303 20 5 FGBDLN CC(C)Oc1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000166105231 496677270 /nfs/dbraw/zinc/67/72/70/496677270.db2.gz PYUALTSJOQNPNP-UHFFFAOYSA-N 0 2 351.746 3.388 20 5 FGBDLN O=C(Cc1ccc(F)cc1Br)Nc1cc([N+](=O)[O-])ccc1O ZINC000189042356 496989079 /nfs/dbraw/zinc/98/90/79/496989079.db2.gz ZEPLLCHSFKFFOV-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN O=C(Nc1ccc(Br)cc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000236562754 497117350 /nfs/dbraw/zinc/11/73/50/497117350.db2.gz FAHCHACHEBCIPC-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274808819 497170529 /nfs/dbraw/zinc/17/05/29/497170529.db2.gz VCMKDQHQMRMKAQ-KDOFPFPSSA-N 0 2 374.368 3.432 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000280764833 497888611 /nfs/dbraw/zinc/88/86/11/497888611.db2.gz BGCSPKXFFBPSJH-RISCZKNCSA-N 0 2 362.407 3.090 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000280919035 497949749 /nfs/dbraw/zinc/94/97/49/497949749.db2.gz HDPAAIYRVMBCGY-UHFFFAOYSA-N 0 2 372.834 3.214 20 5 FGBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ncsc1C(C)C ZINC000288234967 498973440 /nfs/dbraw/zinc/97/34/40/498973440.db2.gz NUBGFQVQSTWFDB-UHFFFAOYSA-N 0 2 359.404 3.423 20 5 FGBDLN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000376076163 499581180 /nfs/dbraw/zinc/58/11/80/499581180.db2.gz OBQZSGZLMYCBHV-MRXNPFEDSA-N 0 2 370.409 3.419 20 5 FGBDLN Cc1cc(C2=CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cc([N+](=O)[O-])c1N ZINC000377910100 499747474 /nfs/dbraw/zinc/74/74/74/499747474.db2.gz VBNIKYQVHQWUHC-CYBMUJFWSA-N 0 2 361.295 3.002 20 5 FGBDLN Cc1cc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)cc([N+](=O)[O-])c1N ZINC000377910100 499747476 /nfs/dbraw/zinc/74/74/76/499747476.db2.gz VBNIKYQVHQWUHC-CYBMUJFWSA-N 0 2 361.295 3.002 20 5 FGBDLN CC[C@@H](NC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000429080361 499999717 /nfs/dbraw/zinc/99/97/17/499999717.db2.gz CNSCSUVDVCZKAT-GFCCVEGCSA-N 0 2 363.443 3.439 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413884695 500085976 /nfs/dbraw/zinc/08/59/76/500085976.db2.gz VIWUGOSEZVVTIQ-UHFFFAOYSA-N 0 2 371.393 3.105 20 5 FGBDLN CC(C)(C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000425934052 500213831 /nfs/dbraw/zinc/21/38/31/500213831.db2.gz YWDLIWPJIFRWNV-UHFFFAOYSA-N 0 2 369.356 3.435 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000582321231 506186681 /nfs/dbraw/zinc/18/66/81/506186681.db2.gz IRWAWAKLBGCWBO-ZMZPIMSZSA-N 0 2 369.377 3.314 20 5 FGBDLN CC(C)(C)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC000442226872 500573093 /nfs/dbraw/zinc/57/30/93/500573093.db2.gz BWIBREYYWFDORD-UHFFFAOYSA-N 0 2 350.396 3.399 20 5 FGBDLN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436973898 500584014 /nfs/dbraw/zinc/58/40/14/500584014.db2.gz VGQDGBAGRUPBDA-SJLPKXTDSA-N 0 2 356.378 3.259 20 5 FGBDLN CC(C)(C)c1nc(=NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s[nH]1 ZINC000437356482 500635113 /nfs/dbraw/zinc/63/51/13/500635113.db2.gz XOOLMPUKAUIZMX-UHFFFAOYSA-N 0 2 374.344 3.437 20 5 FGBDLN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000442930863 500649088 /nfs/dbraw/zinc/64/90/88/500649088.db2.gz BJLULIWCBSACLX-SJLPKXTDSA-N 0 2 372.377 3.235 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OCC(F)F)c3)no2)cc1O ZINC000445257642 500961764 /nfs/dbraw/zinc/96/17/64/500961764.db2.gz KDHUKNIDSALKGS-UHFFFAOYSA-N 0 2 364.264 3.056 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1SC ZINC000436032018 501059646 /nfs/dbraw/zinc/05/96/46/501059646.db2.gz YZIZYUOQABOXGG-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN CCOc1cc2c(cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000436635362 501174743 /nfs/dbraw/zinc/17/47/43/501174743.db2.gz PGNIXXSGPKBQJK-JTQLQIEISA-N 0 2 358.350 3.275 20 5 FGBDLN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436677674 501186038 /nfs/dbraw/zinc/18/60/38/501186038.db2.gz DFOQQKHVUAXIJC-JTQLQIEISA-N 0 2 357.391 3.271 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C3CC3)nn2)cc1[N+](=O)[O-] ZINC000446959141 501186609 /nfs/dbraw/zinc/18/66/09/501186609.db2.gz TUIMVHKPWWKZQX-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(C(F)(F)F)cs1 ZINC000436837448 501219103 /nfs/dbraw/zinc/21/91/03/501219103.db2.gz OUOAWCTTXJODCP-ZCFIWIBFSA-N 0 2 361.301 3.267 20 5 FGBDLN COCCOc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867416 501224176 /nfs/dbraw/zinc/22/41/76/501224176.db2.gz CDOFLUVPLNCSQA-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436871189 501225111 /nfs/dbraw/zinc/22/51/11/501225111.db2.gz IZHUNJHGQAXFOC-LLVKDONJSA-N 0 2 354.366 3.161 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000481602251 501829230 /nfs/dbraw/zinc/82/92/30/501829230.db2.gz SJEUKGYTHDKCHD-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN COc1ccc(C)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481947636 501926198 /nfs/dbraw/zinc/92/61/98/501926198.db2.gz MTTOQWBIUDXHOH-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1[N+](=O)[O-] ZINC000471962599 502185140 /nfs/dbraw/zinc/18/51/40/502185140.db2.gz FFDPDOFPGCYQDG-UHFFFAOYSA-N 0 2 365.342 3.025 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000469050220 502278264 /nfs/dbraw/zinc/27/82/64/502278264.db2.gz RQJBKXHVXADSGI-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN CCOc1ccc(OCCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000483441540 502393909 /nfs/dbraw/zinc/39/39/09/502393909.db2.gz SMFGMMZPEKEOGV-UHFFFAOYSA-N 0 2 360.366 3.497 20 5 FGBDLN COc1cc(C)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480198736 502499307 /nfs/dbraw/zinc/49/93/07/502499307.db2.gz UEFIAKKVSICMAV-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN CCn1ncc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cc21 ZINC000466973640 502742799 /nfs/dbraw/zinc/74/27/99/502742799.db2.gz GPVQCLSFOSJWSM-UHFFFAOYSA-N 0 2 366.424 3.135 20 5 FGBDLN O=C(Nc1ccc(NC2CCOCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509195168 502845601 /nfs/dbraw/zinc/84/56/01/502845601.db2.gz LOLBEUYPJYQPHV-UHFFFAOYSA-N 0 2 357.366 3.144 20 5 FGBDLN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000513276117 502894056 /nfs/dbraw/zinc/89/40/56/502894056.db2.gz NMKSAMJYGSHPPH-TVQRCGJNSA-N 0 2 350.733 3.379 20 5 FGBDLN CO[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000513344258 502910325 /nfs/dbraw/zinc/91/03/25/502910325.db2.gz WRYJPRCKIAJMBU-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(Nc1nc2c(ccc(F)c2F)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000501896824 503104252 /nfs/dbraw/zinc/10/42/52/503104252.db2.gz HBJKCOKCDOYBQR-UHFFFAOYSA-N 0 2 351.290 3.441 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2C)cc1[N+](=O)[O-] ZINC000503969679 503501901 /nfs/dbraw/zinc/50/19/01/503501901.db2.gz QHZYOBZUNXUFCB-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CSC)c1 ZINC000518311611 503949966 /nfs/dbraw/zinc/94/99/66/503949966.db2.gz XIPXQFLECCNNGK-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN CN(Cc1ccc(Br)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537731868 504020824 /nfs/dbraw/zinc/02/08/24/504020824.db2.gz AGPPHEYATLZJNI-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1C ZINC000544629628 504197523 /nfs/dbraw/zinc/19/75/23/504197523.db2.gz BFXHTSIAYLJHCO-NSHDSACASA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1c(Cl)cccc1S(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000534674210 504211203 /nfs/dbraw/zinc/21/12/03/504211203.db2.gz MLNANSKAZYJCIC-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000538348148 504217484 /nfs/dbraw/zinc/21/74/84/504217484.db2.gz KHQUVWOOERYTOB-OAHLLOKOSA-N 0 2 374.368 3.261 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000541784750 504254138 /nfs/dbraw/zinc/25/41/38/504254138.db2.gz ILUVCYDMPVLWPM-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534981607 504300823 /nfs/dbraw/zinc/30/08/23/504300823.db2.gz LORQJWMQAPHHPM-UHFFFAOYSA-N 0 2 371.403 3.330 20 5 FGBDLN CC(C)(C)c1nc(=NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s[nH]1 ZINC000542859837 504638270 /nfs/dbraw/zinc/63/82/70/504638270.db2.gz SZERZSZIFNWVED-UHFFFAOYSA-N 0 2 372.353 3.019 20 5 FGBDLN COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000521177674 504671398 /nfs/dbraw/zinc/67/13/98/504671398.db2.gz GSYGNYMJGGBBIB-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN CNC(=O)[C@@H]1CCCc2sc(/C=C\c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000559193097 504799838 /nfs/dbraw/zinc/79/98/38/504799838.db2.gz FTUMTBRGBTUGAN-BPOWMSRESA-N 0 2 359.407 3.093 20 5 FGBDLN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556877448 505003686 /nfs/dbraw/zinc/00/36/86/505003686.db2.gz STFVLUWYRJSEGT-UHFFFAOYSA-N 0 2 371.393 3.018 20 5 FGBDLN O=C(NCCCCc1ccc(F)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560645419 505152542 /nfs/dbraw/zinc/15/25/42/505152542.db2.gz AIDQIBYJHGPWHB-UHFFFAOYSA-N 0 2 350.321 3.331 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000552800685 505557108 /nfs/dbraw/zinc/55/71/08/505557108.db2.gz HQSSQYGIVZQSSV-QGZVFWFLSA-N 0 2 366.295 3.290 20 5 FGBDLN O=C(CCCc1ccc2c(c1)OCCCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC000599713269 506597057 /nfs/dbraw/zinc/59/70/57/506597057.db2.gz HZNQVCDMLWKZQS-UHFFFAOYSA-N 0 2 372.377 3.423 20 5 FGBDLN O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1c1ncc(Cl)cc1Cl ZINC000603807803 506620622 /nfs/dbraw/zinc/62/06/22/506620622.db2.gz SWHYXVCOGFVWOX-UHFFFAOYSA-N 0 2 351.149 3.438 20 5 FGBDLN CCc1ccc([C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCO2)cc1 ZINC000593740344 506755863 /nfs/dbraw/zinc/75/58/63/506755863.db2.gz VCCNNTQTZSNTJS-IBGZPJMESA-N 0 2 370.405 3.429 20 5 FGBDLN CCc1ccc([C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCO2)cc1 ZINC000593740344 506755867 /nfs/dbraw/zinc/75/58/67/506755867.db2.gz VCCNNTQTZSNTJS-IBGZPJMESA-N 0 2 370.405 3.429 20 5 FGBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000600668663 507056003 /nfs/dbraw/zinc/05/60/03/507056003.db2.gz SLULNEUEWXRBMZ-INIZCTEOSA-N 0 2 368.386 3.172 20 5 FGBDLN COc1ccc([C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1F ZINC000600774114 507113991 /nfs/dbraw/zinc/11/39/91/507113991.db2.gz BYLCAECODHLJAB-LBPRGKRZSA-N 0 2 360.341 3.078 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2OC)c([N+](=O)[O-])c1 ZINC000594697341 507243040 /nfs/dbraw/zinc/24/30/40/507243040.db2.gz CZNFEKMSOKUWQY-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cncc2c1CCCC2 ZINC000594726029 507255785 /nfs/dbraw/zinc/25/57/85/507255785.db2.gz LNXIAOZOVFSXTP-UHFFFAOYSA-N 0 2 367.814 3.323 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c(C)c1[N+](=O)[O-] ZINC000598715176 507565537 /nfs/dbraw/zinc/56/55/37/507565537.db2.gz XAXVLODXKVYCAR-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cc(N2CCC(C)(C(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592420014 507650965 /nfs/dbraw/zinc/65/09/65/507650965.db2.gz WYMRMOQNPHNUPT-UHFFFAOYSA-N 0 2 356.382 3.051 20 5 FGBDLN CCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000172891116 705433757 /nfs/dbraw/zinc/43/37/57/705433757.db2.gz BTAFAJKDDUJRJY-UHFFFAOYSA-N 0 2 368.386 3.380 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2cccc(Br)c2C1 ZINC000187577604 712747262 /nfs/dbraw/zinc/74/72/62/712747262.db2.gz SNWBXDZLVQSBHD-UHFFFAOYSA-N 0 2 363.167 3.219 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000522365876 714184876 /nfs/dbraw/zinc/18/48/76/714184876.db2.gz JUCXECLDCMIGTD-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN O=C(NOCc1ccc(C(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000802822087 724409363 /nfs/dbraw/zinc/40/93/63/724409363.db2.gz XJDPUTXZLPUGQO-UHFFFAOYSA-N 0 2 356.256 3.181 20 5 FGBDLN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000783874737 724798982 /nfs/dbraw/zinc/79/89/82/724798982.db2.gz XEIKFNZKQIEXDB-UHFFFAOYSA-N 0 2 366.370 3.354 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000742029922 722551472 /nfs/dbraw/zinc/55/14/72/722551472.db2.gz LZRXGVKZLIMNCX-UHFFFAOYSA-N 0 2 366.370 3.168 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc3sc(C(F)(F)F)nc32)no1 ZINC000817092114 727220183 /nfs/dbraw/zinc/22/01/83/727220183.db2.gz BNUYLGPRLLIJQG-RNFRBKRXSA-N 0 2 356.285 3.498 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2scnc2C(C)C)cc([N+](=O)[O-])c1F ZINC000830172622 729540874 /nfs/dbraw/zinc/54/08/74/729540874.db2.gz FMPRHVMKJAATNE-UHFFFAOYSA-N 0 2 359.404 3.423 20 5 FGBDLN O=C(Nc1nnc(-c2c(Cl)cccc2Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000863033639 732907229 /nfs/dbraw/zinc/90/72/29/732907229.db2.gz LUBUSVUSIYDEOA-SVGQVSJJSA-N 0 2 359.194 3.116 20 5 FGBDLN COc1ccc(C2CC2)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000872413578 735625636 /nfs/dbraw/zinc/62/56/36/735625636.db2.gz OJJIRPZHKBIONI-UHFFFAOYSA-N 0 2 354.409 3.343 20 5 FGBDLN CC(C)N(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000917747640 758265452 /nfs/dbraw/zinc/26/54/52/758265452.db2.gz YDLYSZFOGRQEGC-UHFFFAOYSA-N 0 2 367.402 3.379 20 5 FGBDLN COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000570783265 505579571 /nfs/dbraw/zinc/57/95/71/505579571.db2.gz DFDQUGMDPHGIPW-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN O=C(NCc1sccc1Br)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060473443 493937059 /nfs/dbraw/zinc/93/70/59/493937059.db2.gz VGBDVQHMRPTQGY-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000032143802 493976153 /nfs/dbraw/zinc/97/61/53/493976153.db2.gz NACDOZNEFAJCKN-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000032143747 493976416 /nfs/dbraw/zinc/97/64/16/493976416.db2.gz CTJXYJMEFVMHFG-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CCCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000032749137 494012779 /nfs/dbraw/zinc/01/27/79/494012779.db2.gz ASIBIFASFQQWNU-UHFFFAOYSA-N 0 2 374.393 3.418 20 5 FGBDLN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)c1ccco1 ZINC000011527242 494180347 /nfs/dbraw/zinc/18/03/47/494180347.db2.gz RTJJYQMFQRVWBL-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000042004983 494193189 /nfs/dbraw/zinc/19/31/89/494193189.db2.gz YLYYLOSSDNGFBA-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000568511245 505712777 /nfs/dbraw/zinc/71/27/77/505712777.db2.gz KDBDZMJAHAILEV-LLVKDONJSA-N 0 2 364.427 3.126 20 5 FGBDLN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089540851 494321786 /nfs/dbraw/zinc/32/17/86/494321786.db2.gz IPEFGEYHBYTCAJ-HZMBPMFUSA-N 0 2 355.350 3.147 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000055546123 494358396 /nfs/dbraw/zinc/35/83/96/494358396.db2.gz VBPCFLFLNUHNGI-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccccc2F)c1 ZINC000055589977 494368847 /nfs/dbraw/zinc/36/88/47/494368847.db2.gz RLDFTIWEQDYXNB-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)CCc2ccccc2)c1 ZINC000055589870 494369202 /nfs/dbraw/zinc/36/92/02/494369202.db2.gz CFJOCLSBMPXRCB-UHFFFAOYSA-N 0 2 372.349 3.181 20 5 FGBDLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000057123493 494648293 /nfs/dbraw/zinc/64/82/93/494648293.db2.gz GXDYOGLUXDLUMM-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c([N+](=O)[O-])c1 ZINC000025165207 494704871 /nfs/dbraw/zinc/70/48/71/494704871.db2.gz RWMZCQNTJRPKLH-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000121603042 494816868 /nfs/dbraw/zinc/81/68/68/494816868.db2.gz NPLKLKIUYMAVJN-GFCCVEGCSA-N 0 2 362.769 3.247 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1C ZINC000121829466 494869794 /nfs/dbraw/zinc/86/97/94/494869794.db2.gz UDLZXMFUYYPHMS-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000127236353 494914458 /nfs/dbraw/zinc/91/44/58/494914458.db2.gz POPIYIAZUJBXLD-UHFFFAOYSA-N 0 2 357.366 3.081 20 5 FGBDLN C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000128501455 495106589 /nfs/dbraw/zinc/10/65/89/495106589.db2.gz NZBKLNXHXKXKKZ-QGZVFWFLSA-N 0 2 359.813 3.377 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000119169236 495109359 /nfs/dbraw/zinc/10/93/59/495109359.db2.gz WQLOMXVFDJBASI-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN COc1cc(F)ccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000125109387 495391753 /nfs/dbraw/zinc/39/17/53/495391753.db2.gz ZPZYZKZBSWMBNN-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN O=C(COc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000120872803 495475610 /nfs/dbraw/zinc/47/56/10/495475610.db2.gz KITVUPTXYPHARM-UHFFFAOYSA-N 0 2 356.256 3.337 20 5 FGBDLN COc1ccccc1CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179472265 495605441 /nfs/dbraw/zinc/60/54/41/495605441.db2.gz HPKQRIBKOWXRSY-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000176586954 495710795 /nfs/dbraw/zinc/71/07/95/495710795.db2.gz PLLDSWKUGMATLX-UHFFFAOYSA-N 0 2 370.456 3.008 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000176591383 495711850 /nfs/dbraw/zinc/71/18/50/495711850.db2.gz OKQSVGPENDXBGF-UHFFFAOYSA-N 0 2 374.419 3.119 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000176594714 495712977 /nfs/dbraw/zinc/71/29/77/495712977.db2.gz RJBHLPDPHJVPJX-UHFFFAOYSA-N 0 2 374.419 3.290 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000186018596 495822314 /nfs/dbraw/zinc/82/23/14/495822314.db2.gz XBNVJXVBKFZFLP-UWVGGRQHSA-N 0 2 352.268 3.460 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000159870142 495829195 /nfs/dbraw/zinc/82/91/95/495829195.db2.gz UAADJEAXHUTDNS-JTQLQIEISA-N 0 2 368.415 3.031 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000180143741 495877710 /nfs/dbraw/zinc/87/77/10/495877710.db2.gz IZPBYDOMWODUPF-OAHLLOKOSA-N 0 2 354.362 3.178 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000160191124 495904582 /nfs/dbraw/zinc/90/45/82/495904582.db2.gz NZJIDEOOEUWFGL-UHFFFAOYSA-N 0 2 352.416 3.009 20 5 FGBDLN Cc1cnn(Cc2ccccc2F)c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183839256 496133356 /nfs/dbraw/zinc/13/33/56/496133356.db2.gz FXCQQNDUSRAYJR-UHFFFAOYSA-N 0 2 370.340 3.245 20 5 FGBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2ccccc2)on1 ZINC000180815773 496157039 /nfs/dbraw/zinc/15/70/39/496157039.db2.gz OKNKOWOLCJOLFS-UHFFFAOYSA-N 0 2 359.363 3.192 20 5 FGBDLN O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183951374 496174723 /nfs/dbraw/zinc/17/47/23/496174723.db2.gz PFSRLJVZKMVXTB-UHFFFAOYSA-N 0 2 356.256 3.336 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000187068751 496278340 /nfs/dbraw/zinc/27/83/40/496278340.db2.gz SACJBRDDIQRKJT-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN COc1c(F)cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1F ZINC000162190022 496311851 /nfs/dbraw/zinc/31/18/51/496311851.db2.gz TTXCXELHELNEIN-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(F)(F)F)cc1 ZINC000181334670 496357389 /nfs/dbraw/zinc/35/73/89/496357389.db2.gz RURUEVWKIWQSGN-AWEZNQCLSA-N 0 2 370.283 3.342 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)c1C ZINC000178182018 496358955 /nfs/dbraw/zinc/35/89/55/496358955.db2.gz FXLNSTBKKPAJHM-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN Cc1cccc2c1N(C1CC1)CCN2C(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000184736795 496512477 /nfs/dbraw/zinc/51/24/77/496512477.db2.gz LXMLZGPJWBYOBR-UHFFFAOYSA-N 0 2 353.378 3.238 20 5 FGBDLN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184743972 496515640 /nfs/dbraw/zinc/51/56/40/496515640.db2.gz YCRDLKCFVRQWIA-KRWDZBQOSA-N 0 2 356.378 3.293 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187747007 496554762 /nfs/dbraw/zinc/55/47/62/496554762.db2.gz YDWSSCFTAQHAFI-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000179085005 496669495 /nfs/dbraw/zinc/66/94/95/496669495.db2.gz DOUZYIHYZFLZMI-UHFFFAOYSA-N 0 2 363.439 3.387 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c[nH]nc1-c1c(F)cccc1F ZINC000166164898 496678337 /nfs/dbraw/zinc/67/83/37/496678337.db2.gz MJZFAUUURJUZKR-UHFFFAOYSA-N 0 2 360.276 3.221 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000185237342 496713645 /nfs/dbraw/zinc/71/36/45/496713645.db2.gz IGVCVGDNIMUFAY-UHFFFAOYSA-N 0 2 357.341 3.069 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000188580904 496839403 /nfs/dbraw/zinc/83/94/03/496839403.db2.gz IXAMGUZWBNEINZ-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CN(Cc1csc(Br)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234307193 497112148 /nfs/dbraw/zinc/11/21/48/497112148.db2.gz VAFXIWNIBPNFRH-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000194471192 497678910 /nfs/dbraw/zinc/67/89/10/497678910.db2.gz SFZIQPIRLIOWRD-UHFFFAOYSA-N 0 2 354.721 3.032 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2OCC(F)F)c1 ZINC000194647502 497728981 /nfs/dbraw/zinc/72/89/81/497728981.db2.gz HFQNINYUHLYGHO-UHFFFAOYSA-N 0 2 358.322 3.040 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](n2cnc3ccccc32)C1 ZINC000363657934 498927780 /nfs/dbraw/zinc/92/77/80/498927780.db2.gz IWBGGMWXXWBEEX-AWEZNQCLSA-N 0 2 366.377 3.127 20 5 FGBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000295238716 498952529 /nfs/dbraw/zinc/95/25/29/498952529.db2.gz URYIJJIXLCVOII-GFCCVEGCSA-N 0 2 366.370 3.039 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OCc2ccccc2F)CC1 ZINC000371590677 499345275 /nfs/dbraw/zinc/34/52/75/499345275.db2.gz BIFHRTBOFCKSNR-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN Cc1c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000375779986 499555088 /nfs/dbraw/zinc/55/50/88/499555088.db2.gz NLTIJUCVIISZRH-ICSRJNTNSA-N 0 2 354.454 3.423 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])c1 ZINC000409595111 499608262 /nfs/dbraw/zinc/60/82/62/499608262.db2.gz OUFTUYPUXGPXIN-UHFFFAOYSA-N 0 2 367.452 3.429 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(OC(F)F)c3)no2)cc1O ZINC000410162972 499646024 /nfs/dbraw/zinc/64/60/24/499646024.db2.gz ODGINOSQBJXPFW-UHFFFAOYSA-N 0 2 350.237 3.014 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000410405730 499660772 /nfs/dbraw/zinc/66/07/72/499660772.db2.gz JOBPFWICFFEJJZ-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN CCn1nc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1C1CC1 ZINC000414375360 499782736 /nfs/dbraw/zinc/78/27/36/499782736.db2.gz RJUBYWWMYZSOTN-UHFFFAOYSA-N 0 2 364.427 3.106 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(OC(F)F)cn1 ZINC000427624963 500412636 /nfs/dbraw/zinc/41/26/36/500412636.db2.gz BPVYUACYSWTZGO-UHFFFAOYSA-N 0 2 373.337 3.009 20 5 FGBDLN CN(Cc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436952018 500577464 /nfs/dbraw/zinc/57/74/64/500577464.db2.gz UUQWYVZPDCBMRN-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN CC(C)Cn1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000436973864 500583249 /nfs/dbraw/zinc/58/32/49/500583249.db2.gz VEKSCDBYDBPIOE-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](COC)Cc1ccccc1 ZINC000436980183 500585551 /nfs/dbraw/zinc/58/55/51/500585551.db2.gz MRXAAZIMKTYTPG-INIZCTEOSA-N 0 2 358.394 3.020 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)cc(C)cc1OC ZINC000446763726 501162134 /nfs/dbraw/zinc/16/21/34/501162134.db2.gz YKKCUTLVHSTGMX-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436834357 501218838 /nfs/dbraw/zinc/21/88/38/501218838.db2.gz YVEJRHPOJYYKLY-UHFFFAOYSA-N 0 2 352.749 3.408 20 5 FGBDLN O=C(Nc1cc(F)cc(Cl)c1O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000474444857 501839668 /nfs/dbraw/zinc/83/96/68/501839668.db2.gz ISZSXNIDHZABDT-UHFFFAOYSA-N 0 2 368.704 3.116 20 5 FGBDLN O=C(NCc1ccc([N+](=O)[O-])cc1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478263211 501925148 /nfs/dbraw/zinc/92/51/48/501925148.db2.gz VBNUZFVKILQUMI-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN Cc1cc(Cl)cnc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000461206346 502038597 /nfs/dbraw/zinc/03/85/97/502038597.db2.gz DPOMAPNUJPHZNU-UHFFFAOYSA-N 0 2 355.803 3.369 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000478690499 502058420 /nfs/dbraw/zinc/05/84/20/502058420.db2.gz YMWCKRYLUIUWPM-JTQLQIEISA-N 0 2 364.427 3.316 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc3c[nH]nc3cc2C)c1C ZINC000479118950 502168732 /nfs/dbraw/zinc/16/87/32/502168732.db2.gz GQSXYHRTIOUOHN-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000480005564 502443883 /nfs/dbraw/zinc/44/38/83/502443883.db2.gz YUQDCEVFMINRHL-CRAIPNDOSA-N 0 2 356.378 3.259 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1OC ZINC000480197308 502499461 /nfs/dbraw/zinc/49/94/61/502499461.db2.gz ZEECHPORMJRSDJ-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000480203113 502501544 /nfs/dbraw/zinc/50/15/44/502501544.db2.gz YRPPZQKLCUWTIF-MRVPVSSYSA-N 0 2 358.445 3.241 20 5 FGBDLN COc1ccc2ccccc2c1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505207334 502870246 /nfs/dbraw/zinc/87/02/46/502870246.db2.gz OBKLSGUPKASKSB-UHFFFAOYSA-N 0 2 352.346 3.392 20 5 FGBDLN O=C(NCCCOc1cccc2cccnc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000496127916 502874384 /nfs/dbraw/zinc/87/43/84/502874384.db2.gz IAAFQDSIBALEHT-UHFFFAOYSA-N 0 2 367.361 3.048 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)c([N+](=O)[O-])c1 ZINC000509656523 502959286 /nfs/dbraw/zinc/95/92/86/502959286.db2.gz IEIZAVHXWLFJQH-UHFFFAOYSA-N 0 2 372.305 3.026 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000513668064 502996071 /nfs/dbraw/zinc/99/60/71/502996071.db2.gz VJABGDAJCZVXIC-SNVBAGLBSA-N 0 2 360.370 3.222 20 5 FGBDLN CCOC(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000509899836 503008468 /nfs/dbraw/zinc/00/84/68/503008468.db2.gz SFOPYMAFYUADSN-UHFFFAOYSA-N 0 2 358.350 3.048 20 5 FGBDLN CCc1cccc2c(CCNC(=O)c3cc(O)ccc3[N+](=O)[O-])c[nH]c21 ZINC000497778406 503038808 /nfs/dbraw/zinc/03/88/08/503038808.db2.gz IGODUIFRMGNSRU-UHFFFAOYSA-N 0 2 353.378 3.317 20 5 FGBDLN C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000490609654 503203112 /nfs/dbraw/zinc/20/31/12/503203112.db2.gz VMNCKEMMOBONMQ-NSHDSACASA-N 0 2 352.350 3.061 20 5 FGBDLN O=C(NCCCCOCCc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507671499 503344215 /nfs/dbraw/zinc/34/42/15/503344215.db2.gz FIQOQPYXLUSBSN-UHFFFAOYSA-N 0 2 358.394 3.070 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc2[nH]ncc21 ZINC000499263318 503368728 /nfs/dbraw/zinc/36/87/28/503368728.db2.gz FBHTZVABXVDXDI-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2[nH]ncc2c(C)c1 ZINC000499276262 503371257 /nfs/dbraw/zinc/37/12/57/503371257.db2.gz YGFGTONWHCLFJB-UHFFFAOYSA-N 0 2 360.395 3.143 20 5 FGBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000508771937 503561531 /nfs/dbraw/zinc/56/15/31/503561531.db2.gz UFAZQGOZJZFVRR-NSHDSACASA-N 0 2 370.340 3.116 20 5 FGBDLN Cc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(OCC2CC2)c1 ZINC000500381169 503611463 /nfs/dbraw/zinc/61/14/63/503611463.db2.gz QAIDNPJJQQCSNF-UHFFFAOYSA-N 0 2 356.378 3.328 20 5 FGBDLN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000543430992 503767521 /nfs/dbraw/zinc/76/75/21/503767521.db2.gz JMZBTESMAPBHCB-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)c(F)c1 ZINC000543682250 503850073 /nfs/dbraw/zinc/85/00/73/503850073.db2.gz OQYFRIGBFXBSLH-GFCCVEGCSA-N 0 2 370.324 3.133 20 5 FGBDLN CC(C)Oc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000517912424 503866180 /nfs/dbraw/zinc/86/61/80/503866180.db2.gz HWNFORNFDBJCOJ-UHFFFAOYSA-N 0 2 371.802 3.231 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000534906706 504277430 /nfs/dbraw/zinc/27/74/30/504277430.db2.gz FLGXGHFBQOMRDT-UHFFFAOYSA-N 0 2 372.406 3.348 20 5 FGBDLN CC(C)(C)c1cnc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000546085783 504703219 /nfs/dbraw/zinc/70/32/19/504703219.db2.gz KRDMHGJYQLYZIW-UHFFFAOYSA-N 0 2 355.441 3.291 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C ZINC000556350573 504852447 /nfs/dbraw/zinc/85/24/47/504852447.db2.gz FHSAKEGPOXHOEJ-UHFFFAOYSA-N 0 2 356.425 3.473 20 5 FGBDLN O=[N+]([O-])c1cccc(-c2ccc(C[NH+]=c3[n-]ncn3-c3ccccc3)o2)c1 ZINC000559995932 504966051 /nfs/dbraw/zinc/96/60/51/504966051.db2.gz DZPMDMUHMCPJPH-UHFFFAOYSA-N 0 2 361.361 3.470 20 5 FGBDLN CC(C)Oc1ncccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000603980311 506679634 /nfs/dbraw/zinc/67/96/34/506679634.db2.gz JFJJXIMZAHFILO-UHFFFAOYSA-N 0 2 371.802 3.231 20 5 FGBDLN CCOc1ccc(OC)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000609218789 506816868 /nfs/dbraw/zinc/81/68/68/506816868.db2.gz CVHQAKVZPRPSTR-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(F)cc1[N+](=O)[O-] ZINC000590598137 506873283 /nfs/dbraw/zinc/87/32/83/506873283.db2.gz HVNURCOHEGNPNW-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609443078 506883082 /nfs/dbraw/zinc/88/30/82/506883082.db2.gz HNUMFEGPSZFKIU-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN O=C([O-])[C@@H]1c2ccoc2CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600674377 507058846 /nfs/dbraw/zinc/05/88/46/507058846.db2.gz LXUXEQIRQILZNW-AWEZNQCLSA-N 0 2 370.283 3.391 20 5 FGBDLN O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600674377 507058851 /nfs/dbraw/zinc/05/88/51/507058851.db2.gz LXUXEQIRQILZNW-AWEZNQCLSA-N 0 2 370.283 3.391 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000610124574 507107036 /nfs/dbraw/zinc/10/70/36/507107036.db2.gz UZOGJIJKMDCODT-UHFFFAOYSA-N 0 2 362.407 3.493 20 5 FGBDLN O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597852385 507134186 /nfs/dbraw/zinc/13/41/86/507134186.db2.gz MHGWZAABYPGADJ-GOSISDBHSA-N 0 2 370.405 3.324 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000613978575 507323709 /nfs/dbraw/zinc/32/37/09/507323709.db2.gz PHULEEOWICXBQZ-IUCAKERBSA-N 0 2 372.221 3.113 20 5 FGBDLN COc1cccc([C@]2(C)CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000598224757 507328321 /nfs/dbraw/zinc/32/83/21/507328321.db2.gz KSIBDQZONVUWNW-LJQANCHMSA-N 0 2 356.378 3.113 20 5 FGBDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598711043 507562944 /nfs/dbraw/zinc/56/29/44/507562944.db2.gz DLTAVYJBCNDRGV-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCCC2)cs1 ZINC000120004539 700645218 /nfs/dbraw/zinc/64/52/18/700645218.db2.gz WASGYWMJBWRYME-UHFFFAOYSA-N 0 2 353.425 3.057 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1[N+](=O)[O-] ZINC000135667420 704851199 /nfs/dbraw/zinc/85/11/99/704851199.db2.gz YSOLXZYXQCFEJW-UHFFFAOYSA-N 0 2 371.758 3.266 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000182948073 705870141 /nfs/dbraw/zinc/87/01/41/705870141.db2.gz QOKVFOXCXJVVIG-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000523416948 714233149 /nfs/dbraw/zinc/23/31/49/714233149.db2.gz KALSJOCBSAADQR-CYBMUJFWSA-N 0 2 374.340 3.442 20 5 FGBDLN Cc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1O ZINC000762455891 723244738 /nfs/dbraw/zinc/24/47/38/723244738.db2.gz MJBDHZAKYZUHFF-UHFFFAOYSA-N 0 2 354.359 3.166 20 5 FGBDLN CC(C)CCn1nccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798149845 723907830 /nfs/dbraw/zinc/90/78/30/723907830.db2.gz RZPDNPQAUCEKDA-UHFFFAOYSA-N 0 2 372.834 3.292 20 5 FGBDLN CC(C)(c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccc(Br)cc1 ZINC000842497263 730509056 /nfs/dbraw/zinc/50/90/56/730509056.db2.gz NLJXAHQYRBBLMF-GHMZBOCLSA-N 0 2 352.188 3.291 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000007708708 210093282 /nfs/dbraw/zinc/09/32/82/210093282.db2.gz PJTIXAAHLLGXII-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc(OC)c1 ZINC000060436850 493933348 /nfs/dbraw/zinc/93/33/48/493933348.db2.gz JIWLHJWSGSYFGS-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2-n2cccn2)cc1C ZINC000060442912 493933822 /nfs/dbraw/zinc/93/38/22/493933822.db2.gz LMPDLHKGSPBXCP-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000005579527 493936244 /nfs/dbraw/zinc/93/62/44/493936244.db2.gz DOOLMKWDBYCHLQ-UHFFFAOYSA-N 0 2 361.423 3.386 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000031555902 493949058 /nfs/dbraw/zinc/94/90/58/493949058.db2.gz ICPHRBBONSSAFC-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000032143786 493975832 /nfs/dbraw/zinc/97/58/32/493975832.db2.gz JTZYEDOHJYWSPO-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1-c1nccs1 ZINC000089540838 494322028 /nfs/dbraw/zinc/32/20/28/494322028.db2.gz FHPKVBWSXTWKHN-UHFFFAOYSA-N 0 2 358.379 3.417 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000055590325 494368982 /nfs/dbraw/zinc/36/89/82/494368982.db2.gz MEAMDWSCUFQVAR-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000023389813 494564472 /nfs/dbraw/zinc/56/44/72/494564472.db2.gz FITVIOGWIZJVDK-UHFFFAOYSA-N 0 2 362.285 3.294 20 5 FGBDLN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(Cl)c1 ZINC000075214738 494706856 /nfs/dbraw/zinc/70/68/56/494706856.db2.gz MXARYJXZTRPMKL-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000132704467 494912155 /nfs/dbraw/zinc/91/21/55/494912155.db2.gz XZTADXDBDLDDLZ-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN O=C(Nc1ccc(F)c(Br)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119093428 495090782 /nfs/dbraw/zinc/09/07/82/495090782.db2.gz YCWPRALEHKNIMN-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000119239702 495124189 /nfs/dbraw/zinc/12/41/89/495124189.db2.gz UXERGIWAMHPXLR-UHFFFAOYSA-N 0 2 352.315 3.183 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000119410060 495161696 /nfs/dbraw/zinc/16/16/96/495161696.db2.gz YETCSGILPUQOJH-UHFFFAOYSA-N 0 2 365.392 3.421 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc2ccccc2n1 ZINC000103202407 495203827 /nfs/dbraw/zinc/20/38/27/495203827.db2.gz SZMYCTFGXZTQFT-UHFFFAOYSA-N 0 2 360.333 3.180 20 5 FGBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000119734347 495229813 /nfs/dbraw/zinc/22/98/13/495229813.db2.gz WZWROZMNSXXHDQ-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000119804785 495244642 /nfs/dbraw/zinc/24/46/42/495244642.db2.gz IILTXKGFSVQWFP-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1CCC(C)C ZINC000137817222 495452317 /nfs/dbraw/zinc/45/23/17/495452317.db2.gz OMEOOWXZWADXGF-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000107355356 495525960 /nfs/dbraw/zinc/52/59/60/495525960.db2.gz JVYSNOAXXQDZAI-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185532733 495612279 /nfs/dbraw/zinc/61/22/79/495612279.db2.gz JRSMGATWJOESLF-INIZCTEOSA-N 0 2 368.349 3.281 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000185551437 495618649 /nfs/dbraw/zinc/61/86/49/495618649.db2.gz CCJMTLBAAUGHPS-UHFFFAOYSA-N 0 2 355.325 3.119 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000179505912 495619760 /nfs/dbraw/zinc/61/97/60/495619760.db2.gz SJJVIIDHLDVLSS-UHFFFAOYSA-N 0 2 372.221 3.257 20 5 FGBDLN CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159306226 495707204 /nfs/dbraw/zinc/70/72/04/495707204.db2.gz ANYLUYWCOSXHKO-UHFFFAOYSA-N 0 2 364.785 3.495 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000176595764 495712856 /nfs/dbraw/zinc/71/28/56/495712856.db2.gz OSMAXBVTOOVUGF-UHFFFAOYSA-N 0 2 370.456 3.459 20 5 FGBDLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000171341722 495827965 /nfs/dbraw/zinc/82/79/65/495827965.db2.gz QAZLUPBYDYGNMT-VIFPVBQESA-N 0 2 370.818 3.217 20 5 FGBDLN O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183909621 496156434 /nfs/dbraw/zinc/15/64/34/496156434.db2.gz YTKNIIDAOPYQFM-UHFFFAOYSA-N 0 2 356.256 3.337 20 5 FGBDLN COc1ccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000156108381 496160749 /nfs/dbraw/zinc/16/07/49/496160749.db2.gz QZMUPQUNPBLRLN-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000180881122 496183124 /nfs/dbraw/zinc/18/31/24/496183124.db2.gz JTWVGNBWTOEQRO-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000152603767 496199648 /nfs/dbraw/zinc/19/96/48/496199648.db2.gz HTYSKHJWONEYKN-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000184762971 496522387 /nfs/dbraw/zinc/52/23/87/496522387.db2.gz LCSYWHHFNKSIBK-UHFFFAOYSA-N 0 2 371.374 3.146 20 5 FGBDLN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000182155192 496690402 /nfs/dbraw/zinc/69/04/02/496690402.db2.gz ITUFHKURONIFLW-DYVFJYSZSA-N 0 2 356.378 3.198 20 5 FGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccs2)cc1C(F)(F)F ZINC000192908446 497243312 /nfs/dbraw/zinc/24/33/12/497243312.db2.gz QWEXEQAWMWGLRG-UHFFFAOYSA-N 0 2 352.315 3.476 20 5 FGBDLN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000192928770 497249999 /nfs/dbraw/zinc/24/99/99/497249999.db2.gz RLBAVYGJTYIHBW-UHFFFAOYSA-N 0 2 355.350 3.070 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1cccc(Cl)c1 ZINC000242893266 497356350 /nfs/dbraw/zinc/35/63/50/497356350.db2.gz GNGPOQZEEXKHAL-UHFFFAOYSA-N 0 2 356.787 3.199 20 5 FGBDLN O=C(NCc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193703256 497452521 /nfs/dbraw/zinc/45/25/21/497452521.db2.gz SEZNNPDPTJAVNM-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN O=C(Nc1ncc(C2(O)CCCCC2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000276360632 497553539 /nfs/dbraw/zinc/55/35/39/497553539.db2.gz LVWBKVDOTKPXHE-UHFFFAOYSA-N 0 2 363.395 3.161 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000272591065 497673822 /nfs/dbraw/zinc/67/38/22/497673822.db2.gz IGZUEYPZDYGRCR-CQSZACIVSA-N 0 2 372.377 3.419 20 5 FGBDLN Cc1cccc(NC2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)c1 ZINC000280656737 497845979 /nfs/dbraw/zinc/84/59/79/497845979.db2.gz AHSLDWIHFKHPMZ-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN O=C(Nc1ccc(Br)cc1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000569797186 506018719 /nfs/dbraw/zinc/01/87/19/506018719.db2.gz YELCARABFBGCSE-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC000294259216 498636862 /nfs/dbraw/zinc/63/68/62/498636862.db2.gz UEKDSSOPROWXFM-MEDUHNTESA-N 0 2 369.377 3.314 20 5 FGBDLN Cc1cc(Cl)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1O ZINC000322139442 498816287 /nfs/dbraw/zinc/81/62/87/498816287.db2.gz BDLRJQDSXOAHFE-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN CC(C)c1nccc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000378603228 499536827 /nfs/dbraw/zinc/53/68/27/499536827.db2.gz CSSBSDJRWDXOKM-UHFFFAOYSA-N 0 2 370.409 3.234 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2ncccc2Cl)CC1 ZINC000376141090 499585930 /nfs/dbraw/zinc/58/59/30/499585930.db2.gz BHHMZHQVVUJXTE-UHFFFAOYSA-N 0 2 361.785 3.369 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000410410814 499661177 /nfs/dbraw/zinc/66/11/77/499661177.db2.gz ZDLXFGACSTWVLA-UHFFFAOYSA-N 0 2 372.349 3.381 20 5 FGBDLN CCC(CC)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000424942665 499971418 /nfs/dbraw/zinc/97/14/18/499971418.db2.gz NRJMIMNWRBAAQT-UHFFFAOYSA-N 0 2 366.414 3.178 20 5 FGBDLN CC(C)C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000424955856 499977152 /nfs/dbraw/zinc/97/71/52/499977152.db2.gz PNMWSCMQIBXAQC-GFCCVEGCSA-N 0 2 366.414 3.034 20 5 FGBDLN O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1O ZINC000436965763 500581619 /nfs/dbraw/zinc/58/16/19/500581619.db2.gz OKDSLFAQTXBCOO-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436965686 500582133 /nfs/dbraw/zinc/58/21/33/500582133.db2.gz LQEOAKISCDMWBO-KRWDZBQOSA-N 0 2 356.378 3.459 20 5 FGBDLN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436969904 500582821 /nfs/dbraw/zinc/58/28/21/500582821.db2.gz BEKNWJHRJSSFMN-UHFFFAOYSA-N 0 2 370.365 3.180 20 5 FGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H](COC)Cc1ccccc1 ZINC000436972722 500583904 /nfs/dbraw/zinc/58/39/04/500583904.db2.gz PLUSMMYSVOQGOW-INIZCTEOSA-N 0 2 358.394 3.020 20 5 FGBDLN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000436974587 500584449 /nfs/dbraw/zinc/58/44/49/500584449.db2.gz ZVCQMEQBOMAHSC-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436982601 500586458 /nfs/dbraw/zinc/58/64/58/500586458.db2.gz VIPCTXNIKQFXHW-SUMWQHHRSA-N 0 2 360.341 3.090 20 5 FGBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(CC)CC ZINC000434346958 500829679 /nfs/dbraw/zinc/82/96/79/500829679.db2.gz PUEHQSQXKNNSKT-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN CC[C@H](C)COc1cc([N+](=O)[O-])c(CSc2n[nH]c(=O)[nH]2)cc1OC ZINC000446070057 501068983 /nfs/dbraw/zinc/06/89/83/501068983.db2.gz JEWADSRKANODQH-VIFPVBQESA-N 0 2 368.415 3.144 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)Cc3ccccc3Cl)c2c1 ZINC000446791964 501165931 /nfs/dbraw/zinc/16/59/31/501165931.db2.gz WNABRGNFDRUWDC-UHFFFAOYSA-N 0 2 366.786 3.066 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(OC(F)F)cc1 ZINC000436675761 501186392 /nfs/dbraw/zinc/18/63/92/501186392.db2.gz XAFRCMBGLITHLW-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436682452 501186753 /nfs/dbraw/zinc/18/67/53/501186753.db2.gz VQLWJRDWSYCFNO-ZDUSSCGKSA-N 0 2 354.284 3.376 20 5 FGBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000446972729 501188834 /nfs/dbraw/zinc/18/88/34/501188834.db2.gz NTBQUZJCUCMODN-UHFFFAOYSA-N 0 2 353.425 3.261 20 5 FGBDLN O=C(NC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436710015 501193921 /nfs/dbraw/zinc/19/39/21/501193921.db2.gz QKYOLRIPBFNEIV-UHFFFAOYSA-N 0 2 356.378 3.170 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436731002 501199044 /nfs/dbraw/zinc/19/90/44/501199044.db2.gz ZIIHKSRFTKMETR-KRWDZBQOSA-N 0 2 366.295 3.290 20 5 FGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000436736634 501200967 /nfs/dbraw/zinc/20/09/67/501200967.db2.gz JKNNCRNVLGMUMU-AWEZNQCLSA-N 0 2 353.378 3.320 20 5 FGBDLN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436829052 501217922 /nfs/dbraw/zinc/21/79/22/501217922.db2.gz AAMAXIOALWIUJR-OAHLLOKOSA-N 0 2 364.785 3.414 20 5 FGBDLN CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(C)C ZINC000436873717 501225617 /nfs/dbraw/zinc/22/56/17/501225617.db2.gz SNYVNOKTQJTZOF-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3O)s2)cc1 ZINC000436892841 501228570 /nfs/dbraw/zinc/22/85/70/501228570.db2.gz NNLDVVUMIQWRGY-UHFFFAOYSA-N 0 2 372.362 3.080 20 5 FGBDLN Cc1c(C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)cccc1[N+](=O)[O-] ZINC000436917529 501232480 /nfs/dbraw/zinc/23/24/80/501232480.db2.gz ZORUCPMIARGHRD-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)cc1[N+](=O)[O-] ZINC000451049611 501241949 /nfs/dbraw/zinc/24/19/49/501241949.db2.gz JPCOXVQYRITRER-UHFFFAOYSA-N 0 2 363.395 3.067 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)nc1C1CC1 ZINC000451058435 501242557 /nfs/dbraw/zinc/24/25/57/501242557.db2.gz VOQADRPMRBJBSU-UHFFFAOYSA-N 0 2 374.378 3.118 20 5 FGBDLN Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(Br)c1 ZINC000486104152 502048355 /nfs/dbraw/zinc/04/83/55/502048355.db2.gz SNWZCYIOVUQUPM-SNAWJCMRSA-N 0 2 352.144 3.037 20 5 FGBDLN Cc1nn(C)c2cc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc12 ZINC000461341598 502076521 /nfs/dbraw/zinc/07/65/21/502076521.db2.gz LAANBTPXWMMIIC-UHFFFAOYSA-N 0 2 374.422 3.208 20 5 FGBDLN Cc1ccc(-c2n[nH]c(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)n2)o1 ZINC000479462597 502266863 /nfs/dbraw/zinc/26/68/63/502266863.db2.gz GWYIERWAHDVUOJ-UHFFFAOYSA-N 0 2 353.294 3.280 20 5 FGBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000475789608 502292018 /nfs/dbraw/zinc/29/20/18/502292018.db2.gz LNZCEITVNVKTIF-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475798092 502294601 /nfs/dbraw/zinc/29/46/01/502294601.db2.gz YAOJYUFNNMUQEC-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN COc1ccc(C)cc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480199025 502499138 /nfs/dbraw/zinc/49/91/38/502499138.db2.gz NZBJECQNOKFFBR-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000484441090 502643463 /nfs/dbraw/zinc/64/34/63/502643463.db2.gz OHDKPWKBQZILGQ-UHFFFAOYSA-N 0 2 366.443 3.399 20 5 FGBDLN CC[C@H](C(=O)c1ccc(OC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477087194 502672972 /nfs/dbraw/zinc/67/29/72/502672972.db2.gz NJVARFATBGPJRF-MRXNPFEDSA-N 0 2 363.391 3.039 20 5 FGBDLN CCOc1ccc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000505326078 502888695 /nfs/dbraw/zinc/88/86/95/502888695.db2.gz LJIHPNORFDJSEH-NSHDSACASA-N 0 2 360.366 3.199 20 5 FGBDLN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505792518 502987880 /nfs/dbraw/zinc/98/78/80/502987880.db2.gz IEMGYORXWPVMDD-INIZCTEOSA-N 0 2 368.349 3.281 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000509848218 502997621 /nfs/dbraw/zinc/99/76/21/502997621.db2.gz IJTUQLMOMFWPAA-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN CCOc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000490587046 503199597 /nfs/dbraw/zinc/19/95/97/503199597.db2.gz OHYBFQANKFXGCY-UHFFFAOYSA-N 0 2 360.366 3.497 20 5 FGBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000511154760 503270824 /nfs/dbraw/zinc/27/08/24/503270824.db2.gz FBEZOJBAMCFCOG-UHFFFAOYSA-N 0 2 356.256 3.476 20 5 FGBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1(C(F)F)CCCC1 ZINC000588906287 506376648 /nfs/dbraw/zinc/37/66/48/506376648.db2.gz WEMBJSWQZBORAR-UHFFFAOYSA-N 0 2 354.762 3.104 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000508781127 503563326 /nfs/dbraw/zinc/56/33/26/503563326.db2.gz XQGJGWZLBVWSCZ-NSHDSACASA-N 0 2 370.340 3.116 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])cc1OC ZINC000540170147 503695510 /nfs/dbraw/zinc/69/55/10/503695510.db2.gz YZOUKAYOEHJGJF-CQSZACIVSA-N 0 2 372.377 3.295 20 5 FGBDLN O=C(NCCOc1ccc2ccccc2c1)c1cccc(O)c1[N+](=O)[O-] ZINC000537019560 503778963 /nfs/dbraw/zinc/77/89/63/503778963.db2.gz HQRQTWBFAALBHJ-UHFFFAOYSA-N 0 2 352.346 3.262 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000530541892 504003406 /nfs/dbraw/zinc/00/34/06/504003406.db2.gz HAPMWOPFMUMFIX-UHFFFAOYSA-N 0 2 362.407 3.418 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000538299413 504195898 /nfs/dbraw/zinc/19/58/98/504195898.db2.gz VPVJLUBFSUWHHD-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccccc2CSC)c([N+](=O)[O-])c1 ZINC000546073384 504700080 /nfs/dbraw/zinc/70/00/80/504700080.db2.gz KXFPJWYUZCYGHC-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(Cl)c1 ZINC000565974368 505042738 /nfs/dbraw/zinc/04/27/38/505042738.db2.gz VGMWVBXTAZRVDL-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN COC(=O)c1ccc([N+](=O)[O-])c(Nc2cnn(CC(C)C)c2C(F)F)n1 ZINC000557624677 505184784 /nfs/dbraw/zinc/18/47/84/505184784.db2.gz GUQBIYZDCRPZQO-UHFFFAOYSA-N 0 2 369.328 3.310 20 5 FGBDLN COc1ccccc1C1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CC1 ZINC000551491905 505236767 /nfs/dbraw/zinc/23/67/67/505236767.db2.gz JJPVNZHICYAMPF-UHFFFAOYSA-N 0 2 353.334 3.439 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000554736073 505252295 /nfs/dbraw/zinc/25/22/95/505252295.db2.gz VPMNUNCZRVEFLI-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000552159395 505418274 /nfs/dbraw/zinc/41/82/74/505418274.db2.gz LKDNEBREDUCYEK-CYBMUJFWSA-N 0 2 354.284 3.376 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000562233314 505545986 /nfs/dbraw/zinc/54/59/86/505545986.db2.gz QSWSGMMEZAOOHZ-UHFFFAOYSA-N 0 2 360.313 3.375 20 5 FGBDLN COCCc1ccccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000603420308 506508147 /nfs/dbraw/zinc/50/81/47/506508147.db2.gz RJKCZJYACSRLIQ-UHFFFAOYSA-N 0 2 368.386 3.032 20 5 FGBDLN C[C@@]1(c2ccccc2)C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593736368 506753834 /nfs/dbraw/zinc/75/38/34/506753834.db2.gz JXRBABFISZKUFF-IBGZPJMESA-N 0 2 356.378 3.041 20 5 FGBDLN C[C@@]1(c2ccccc2)C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593736368 506753836 /nfs/dbraw/zinc/75/38/36/506753836.db2.gz JXRBABFISZKUFF-IBGZPJMESA-N 0 2 356.378 3.041 20 5 FGBDLN CCc1ccc([C@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCO2)cc1 ZINC000593740346 506756286 /nfs/dbraw/zinc/75/62/86/506756286.db2.gz VCCNNTQTZSNTJS-LJQANCHMSA-N 0 2 370.405 3.429 20 5 FGBDLN CCc1ccc([C@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCO2)cc1 ZINC000593740346 506756291 /nfs/dbraw/zinc/75/62/91/506756291.db2.gz VCCNNTQTZSNTJS-LJQANCHMSA-N 0 2 370.405 3.429 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(O)c(C)cc2C)cc1C ZINC000612997795 506857482 /nfs/dbraw/zinc/85/74/82/506857482.db2.gz DALDJRBGFUKTAT-UHFFFAOYSA-N 0 2 350.396 3.335 20 5 FGBDLN COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1F ZINC000600775286 507115360 /nfs/dbraw/zinc/11/53/60/507115360.db2.gz LSDMUINRHWGPDF-CYBMUJFWSA-N 0 2 360.341 3.078 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594726789 507256815 /nfs/dbraw/zinc/25/68/15/507256815.db2.gz SZDWJKVCEQMZJA-UHFFFAOYSA-N 0 2 370.456 3.144 20 5 FGBDLN Cc1cc(=NC(=O)c2sc(Br)cc2[N+](=O)[O-])[nH]nc1C ZINC000485462379 561319667 /nfs/dbraw/zinc/31/96/67/561319667.db2.gz CYAQONGLTSOQIB-UHFFFAOYSA-N 0 2 357.189 3.078 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000092547420 700437306 /nfs/dbraw/zinc/43/73/06/700437306.db2.gz NQPSZDPMZVIBPT-UHFFFAOYSA-N 0 2 362.773 3.201 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000092546228 700437326 /nfs/dbraw/zinc/43/73/26/700437326.db2.gz GYGXCCVBJGBCRH-CYBMUJFWSA-N 0 2 357.149 3.279 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)ccc1Cl ZINC000098116687 700465802 /nfs/dbraw/zinc/46/58/02/700465802.db2.gz LMBLDPVSOHTDFW-UHFFFAOYSA-N 0 2 359.816 3.383 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnc1Cl ZINC000154049093 705020742 /nfs/dbraw/zinc/02/07/42/705020742.db2.gz LTGDUUMNDOCDFY-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN O=C(NCCSCc1ccnc(Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000802991889 724422618 /nfs/dbraw/zinc/42/26/18/724422618.db2.gz YVSUHLXTTJGNET-UHFFFAOYSA-N 0 2 367.814 3.012 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cnn1CC(C)C ZINC000766331161 723568662 /nfs/dbraw/zinc/56/86/62/723568662.db2.gz GMIKRVRDKCYKIP-UHFFFAOYSA-N 0 2 370.406 3.004 20 5 FGBDLN COc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000775297830 723979419 /nfs/dbraw/zinc/97/94/19/723979419.db2.gz XUGYDPWSEOVGJW-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CC1(C)CCc2sc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])nc21 ZINC000817392051 727246581 /nfs/dbraw/zinc/24/65/81/727246581.db2.gz IDRYGVBKXWTVFP-UHFFFAOYSA-N 0 2 371.415 3.215 20 5 FGBDLN C[C@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901695759 743622062 /nfs/dbraw/zinc/62/20/62/743622062.db2.gz LSZSFBVKABUGPE-LBPRGKRZSA-N 0 2 363.233 3.106 20 5 FGBDLN C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901695759 743622074 /nfs/dbraw/zinc/62/20/74/743622074.db2.gz LSZSFBVKABUGPE-LBPRGKRZSA-N 0 2 363.233 3.106 20 5 FGBDLN CCOc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1[N+](=O)[O-] ZINC000068297680 493792329 /nfs/dbraw/zinc/79/23/29/493792329.db2.gz DXXUJTWKTUTFAI-UHFFFAOYSA-N 0 2 370.321 3.001 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060436914 493933425 /nfs/dbraw/zinc/93/34/25/493933425.db2.gz OJJHJNZJBNNRAI-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000007055816 493998604 /nfs/dbraw/zinc/99/86/04/493998604.db2.gz KGQNSLQXMBNIBG-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000052798227 494062412 /nfs/dbraw/zinc/06/24/12/494062412.db2.gz QTNFWNHFGMTJNS-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073066977 494316956 /nfs/dbraw/zinc/31/69/56/494316956.db2.gz ZSOAXOWJFQFRJX-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531224 494322051 /nfs/dbraw/zinc/32/20/51/494322051.db2.gz QIBJAOXMMYLELW-UHFFFAOYSA-N 0 2 356.256 3.380 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000121166482 494627395 /nfs/dbraw/zinc/62/73/95/494627395.db2.gz CYORWOQTIOOHMZ-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000131802100 494735365 /nfs/dbraw/zinc/73/53/65/494735365.db2.gz PBOWPXUZFUQZRS-UHFFFAOYSA-N 0 2 364.814 3.178 20 5 FGBDLN CCCc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000126535126 494782477 /nfs/dbraw/zinc/78/24/77/494782477.db2.gz IHCAILBADGBYGH-UHFFFAOYSA-N 0 2 358.807 3.033 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000126613230 494801935 /nfs/dbraw/zinc/80/19/35/494801935.db2.gz DZQLOTIQBARCTQ-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000093930927 494936828 /nfs/dbraw/zinc/93/68/28/494936828.db2.gz JEUXUZNNKIPIJW-UHFFFAOYSA-N 0 2 374.777 3.335 20 5 FGBDLN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000577555170 505750872 /nfs/dbraw/zinc/75/08/72/505750872.db2.gz XUAWHAKVCXCLIX-DLBZAZTESA-N 0 2 356.378 3.276 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OCCc2ccccc2)CC1 ZINC000133777234 495060522 /nfs/dbraw/zinc/06/05/22/495060522.db2.gz FSOBQTKJFOJRLI-UHFFFAOYSA-N 0 2 370.405 3.164 20 5 FGBDLN O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000134368528 495140521 /nfs/dbraw/zinc/14/05/21/495140521.db2.gz JRDCZWHLLDMAMK-UHFFFAOYSA-N 0 2 360.276 3.221 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000119440110 495167328 /nfs/dbraw/zinc/16/73/28/495167328.db2.gz CUYLKSHJBCGNFK-UHFFFAOYSA-N 0 2 367.361 3.461 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000135681978 495325423 /nfs/dbraw/zinc/32/54/23/495325423.db2.gz GIBOSROHEGNEPL-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](C)O1 ZINC000130179619 495352856 /nfs/dbraw/zinc/35/28/56/495352856.db2.gz IXJWYNNSPHKRPU-CHWSQXEVSA-N 0 2 371.393 3.166 20 5 FGBDLN Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000106724382 495489603 /nfs/dbraw/zinc/48/96/03/495489603.db2.gz SQXAJIALTXJDKH-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(O)c1F ZINC000182810640 495712561 /nfs/dbraw/zinc/71/25/61/495712561.db2.gz RYRBXITUKFKKLH-UHFFFAOYSA-N 0 2 368.311 3.470 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182831851 495719971 /nfs/dbraw/zinc/71/99/71/495719971.db2.gz QDKKXLZLWLJLBV-XJKSGUPXSA-N 0 2 362.769 3.214 20 5 FGBDLN Cc1ccc(NCCCNC(=O)c2cc(F)c(O)c(F)c2)c([N+](=O)[O-])c1 ZINC000180051686 495837704 /nfs/dbraw/zinc/83/77/04/495837704.db2.gz KMJUEYAJMUHJMP-UHFFFAOYSA-N 0 2 365.336 3.119 20 5 FGBDLN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000174244546 495880428 /nfs/dbraw/zinc/88/04/28/495880428.db2.gz WEFYSOWLARAGTR-UHFFFAOYSA-N 0 2 371.393 3.018 20 5 FGBDLN O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160179656 495902292 /nfs/dbraw/zinc/90/22/92/495902292.db2.gz OQDFKVIHNPBWGB-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN O=C(Nc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1)c1ccoc1 ZINC000160183770 495902969 /nfs/dbraw/zinc/90/29/69/495902969.db2.gz OHAUBYMCMBFSIG-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183553202 496028286 /nfs/dbraw/zinc/02/82/86/496028286.db2.gz HQQNDWBSDMEOMV-QGZVFWFLSA-N 0 2 356.378 3.293 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000180756103 496132601 /nfs/dbraw/zinc/13/26/01/496132601.db2.gz ATYVXCKWPKUFPJ-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)ccc1[N+](=O)[O-] ZINC000172192888 496202399 /nfs/dbraw/zinc/20/23/99/496202399.db2.gz YZXPPOUFUIYFAU-UHFFFAOYSA-N 0 2 366.443 3.026 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H]2CCCCN2c2ccccc21 ZINC000569026765 505833237 /nfs/dbraw/zinc/83/32/37/505833237.db2.gz DVTKVNYLTVJZHN-CQSZACIVSA-N 0 2 353.378 3.320 20 5 FGBDLN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187260219 496365271 /nfs/dbraw/zinc/36/52/71/496365271.db2.gz XJXOYFOKDDMUMF-UHFFFAOYSA-N 0 2 371.393 3.018 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(C2CCCCC2)no1 ZINC000187489850 496462966 /nfs/dbraw/zinc/46/29/66/496462966.db2.gz CWYOMNFQRZVHAD-JTQLQIEISA-N 0 2 360.370 3.222 20 5 FGBDLN CCc1onc(C)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000181738048 496524803 /nfs/dbraw/zinc/52/48/03/496524803.db2.gz TUNMGBFRFWYROL-UHFFFAOYSA-N 0 2 359.791 3.216 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184835034 496550393 /nfs/dbraw/zinc/55/03/93/496550393.db2.gz MUSFBQNQIYNTFG-UWVGGRQHSA-N 0 2 352.268 3.460 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000184851924 496557652 /nfs/dbraw/zinc/55/76/52/496557652.db2.gz NUIGPAKZASSKMU-NSHDSACASA-N 0 2 360.391 3.240 20 5 FGBDLN Cc1c(F)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184863103 496562174 /nfs/dbraw/zinc/56/21/74/496562174.db2.gz FINZRPLMNSBYJF-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCc2ccc(Br)cc21 ZINC000164623887 496623767 /nfs/dbraw/zinc/62/37/67/496623767.db2.gz HPENKFZASPMTJA-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2-c2ccccc2)cc1 ZINC000164993564 496643818 /nfs/dbraw/zinc/64/38/18/496643818.db2.gz CLTWACCUOOEQOA-UHFFFAOYSA-N 0 2 355.375 3.458 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ncc(-c2ccccc2)o1 ZINC000182039973 496645341 /nfs/dbraw/zinc/64/53/41/496645341.db2.gz AMEQPCDLNYFSHA-NSHDSACASA-N 0 2 353.334 3.446 20 5 FGBDLN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000179084514 496669540 /nfs/dbraw/zinc/66/95/40/496669540.db2.gz NJUIBNFGFHOZJN-UHFFFAOYSA-N 0 2 367.402 3.218 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000185317686 496728212 /nfs/dbraw/zinc/72/82/12/496728212.db2.gz IXNVAQVYCWTROA-CQSZACIVSA-N 0 2 372.352 3.317 20 5 FGBDLN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000194927013 496763335 /nfs/dbraw/zinc/76/33/35/496763335.db2.gz REYZNGOYFHNDDY-UHFFFAOYSA-N 0 2 372.352 3.175 20 5 FGBDLN O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000195223100 496853264 /nfs/dbraw/zinc/85/32/64/496853264.db2.gz GMYZEYXJBURYEU-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277705871 496860034 /nfs/dbraw/zinc/86/00/34/496860034.db2.gz FOKBWTHHIKZDGY-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000217210595 496995629 /nfs/dbraw/zinc/99/56/29/496995629.db2.gz ROYNNDUMHJWCIA-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(C)c1 ZINC000189282484 497068552 /nfs/dbraw/zinc/06/85/52/497068552.db2.gz IJETVTSBOFEUJM-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2nc(C3CCC3)cs2)ccc1[N+](=O)[O-] ZINC000278425980 497109995 /nfs/dbraw/zinc/10/99/95/497109995.db2.gz SKDBARIHVFDOCS-UHFFFAOYSA-N 0 2 369.424 3.128 20 5 FGBDLN COc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000194215745 497604353 /nfs/dbraw/zinc/60/43/53/497604353.db2.gz IVNXAEWBQTYYSU-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000191036189 497688862 /nfs/dbraw/zinc/68/88/62/497688862.db2.gz AIFISAMYCWDQDY-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1nc(NS(=O)(=O)Cc2cc(Cl)ccc2F)ccc1[N+](=O)[O-] ZINC000194678146 497736803 /nfs/dbraw/zinc/73/68/03/497736803.db2.gz RUFYXQHKMLHATQ-UHFFFAOYSA-N 0 2 359.766 3.033 20 5 FGBDLN COc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000364391823 497936496 /nfs/dbraw/zinc/93/64/96/497936496.db2.gz WJGDEFXXBOKYBK-UHFFFAOYSA-N 0 2 354.362 3.239 20 5 FGBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000575775213 506002123 /nfs/dbraw/zinc/00/21/23/506002123.db2.gz FBAKAYMHLYLOKG-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN O=C(c1ccccc1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000370604459 499235149 /nfs/dbraw/zinc/23/51/49/499235149.db2.gz ZRQFXOOLCWADJX-UHFFFAOYSA-N 0 2 354.362 3.036 20 5 FGBDLN CC(=O)N1C[C@H](CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc21 ZINC000373359016 499465343 /nfs/dbraw/zinc/46/53/43/499465343.db2.gz FIIGTRFWIJYDEK-ZDUSSCGKSA-N 0 2 369.377 3.169 20 5 FGBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Br ZINC000389115532 499552191 /nfs/dbraw/zinc/55/21/91/499552191.db2.gz NSDVZDNVWKLYTG-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)nn1C(C)C ZINC000421180854 499985077 /nfs/dbraw/zinc/98/50/77/499985077.db2.gz GRRQEIPPNOAIGS-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000430283072 500221127 /nfs/dbraw/zinc/22/11/27/500221127.db2.gz ICKGKWBNRCMBOE-UHFFFAOYSA-N 0 2 371.271 3.365 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1Cl ZINC000432641958 500542432 /nfs/dbraw/zinc/54/24/32/500542432.db2.gz GAKWRQXSBWPWKW-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000442227398 500573186 /nfs/dbraw/zinc/57/31/86/500573186.db2.gz FKYNOXYJELACPQ-UHFFFAOYSA-N 0 2 372.406 3.144 20 5 FGBDLN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436949967 500577663 /nfs/dbraw/zinc/57/76/63/500577663.db2.gz UIISCLUUXRQFJH-UHFFFAOYSA-N 0 2 357.366 3.081 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1OC(F)F ZINC000436956189 500578542 /nfs/dbraw/zinc/57/85/42/500578542.db2.gz PPHDBCXMSHKVAQ-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)ccc1SC ZINC000436968802 500582811 /nfs/dbraw/zinc/58/28/11/500582811.db2.gz VNSIUBHOCDTZKA-UHFFFAOYSA-N 0 2 362.407 3.303 20 5 FGBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(CC)CC ZINC000436973136 500583421 /nfs/dbraw/zinc/58/34/21/500583421.db2.gz RRXFHGPGYRUAGA-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436982599 500586181 /nfs/dbraw/zinc/58/61/81/500586181.db2.gz VIPCTXNIKQFXHW-DYVFJYSZSA-N 0 2 360.341 3.090 20 5 FGBDLN O=C1CCCN1c1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000445206080 500954109 /nfs/dbraw/zinc/95/41/09/500954109.db2.gz GVFZGJZFPZHHLC-UHFFFAOYSA-N 0 2 366.333 3.144 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cc(OC4CCC4)ccn3)no2)cc1O ZINC000445234114 500958389 /nfs/dbraw/zinc/95/83/89/500958389.db2.gz NDEVZVQKYWDBDY-UHFFFAOYSA-N 0 2 354.322 3.344 20 5 FGBDLN COc1cc(SC)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000446629111 501144472 /nfs/dbraw/zinc/14/44/72/501144472.db2.gz ROVLICWLYDIKBG-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000446972293 501188898 /nfs/dbraw/zinc/18/88/98/501188898.db2.gz LAFDSGCRRSTBQB-UHFFFAOYSA-N 0 2 353.425 3.428 20 5 FGBDLN CCOC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(F)cc1C ZINC000436708007 501192906 /nfs/dbraw/zinc/19/29/06/501192906.db2.gz VUZRBQTUYRMNPZ-UHFFFAOYSA-N 0 2 362.313 3.177 20 5 FGBDLN O=C(NCc1cc(Br)ccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000436754018 501204814 /nfs/dbraw/zinc/20/48/14/501204814.db2.gz XIEMOGDRJMKWMS-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)cc(Br)c1O ZINC000436852162 501221385 /nfs/dbraw/zinc/22/13/85/501221385.db2.gz NXJKMBGNYBBFAM-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(Cl)c1 ZINC000436871436 501225068 /nfs/dbraw/zinc/22/50/68/501225068.db2.gz SSGDVZKRLFYQTH-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436872536 501225079 /nfs/dbraw/zinc/22/50/79/501225079.db2.gz UEJSAHZNQGYKIL-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN CC(F)(F)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000451613124 501337140 /nfs/dbraw/zinc/33/71/40/501337140.db2.gz MQAUNVLBXZEVEL-UHFFFAOYSA-N 0 2 363.169 3.225 20 5 FGBDLN Cc1cc(Cl)cnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000461219655 502042612 /nfs/dbraw/zinc/04/26/12/502042612.db2.gz RNYYLPUNMLPVDA-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(OC)c(C)cc2C)c([N+](=O)[O-])c1 ZINC000478700964 502062297 /nfs/dbraw/zinc/06/22/97/502062297.db2.gz UTCOQAGPQJAQRA-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1ccc([C@H](C)NC(=O)C2=NN(c3ccccc3)CC2=O)cc1[N+](=O)[O-] ZINC000486573213 502194103 /nfs/dbraw/zinc/19/41/03/502194103.db2.gz HOHAXZDHGZDYEL-ZDUSSCGKSA-N 0 2 366.377 3.286 20 5 FGBDLN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000483133918 502285036 /nfs/dbraw/zinc/28/50/36/502285036.db2.gz CMCHRTPQESDZPV-UHFFFAOYSA-N 0 2 369.377 3.225 20 5 FGBDLN CCCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000479537569 502289760 /nfs/dbraw/zinc/28/97/60/502289760.db2.gz ALQIWBASDUIEHL-UHFFFAOYSA-N 0 2 371.440 3.339 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(CC(C)C)nc2)cc1C ZINC000475824010 502301366 /nfs/dbraw/zinc/30/13/66/502301366.db2.gz BLGADANIQTVMDZ-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN Cc1ccc(-c2nc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cs2)n1C ZINC000483438324 502391823 /nfs/dbraw/zinc/39/18/23/502391823.db2.gz JSHWRHCKPSSADR-UHFFFAOYSA-N 0 2 358.379 3.323 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000483439939 502393634 /nfs/dbraw/zinc/39/36/34/502393634.db2.gz LSWVMTOBVQXNSL-SFHVURJKSA-N 0 2 372.377 3.176 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cc(F)ccc3F)sc2c1 ZINC000483673008 502458368 /nfs/dbraw/zinc/45/83/68/502458368.db2.gz XMEAHNJASZBOOJ-UHFFFAOYSA-N 0 2 371.346 3.284 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)CC)c1C ZINC000480215258 502504530 /nfs/dbraw/zinc/50/45/30/502504530.db2.gz FYFYJQOYGIPQBX-LLVKDONJSA-N 0 2 366.443 3.434 20 5 FGBDLN COc1ccccc1C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)C ZINC000477285042 502729380 /nfs/dbraw/zinc/72/93/80/502729380.db2.gz JCRLZTLHTMKOHP-HNNXBMFYSA-N 0 2 358.394 3.306 20 5 FGBDLN CC(C)(C)c1cccc(OCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000512968259 502823082 /nfs/dbraw/zinc/82/30/82/502823082.db2.gz WFYMBPDUTQCUAE-UHFFFAOYSA-N 0 2 358.394 3.407 20 5 FGBDLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000509218497 502851812 /nfs/dbraw/zinc/85/18/12/502851812.db2.gz PFSGHRHETVMTQI-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN CCn1ncc2ccc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc21 ZINC000509595637 502944186 /nfs/dbraw/zinc/94/41/86/502944186.db2.gz IJNXVPOOAUEXQE-UHFFFAOYSA-N 0 2 360.395 3.074 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000509848216 502997269 /nfs/dbraw/zinc/99/72/69/502997269.db2.gz IJTUQLMOMFWPAA-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000515062247 503263093 /nfs/dbraw/zinc/26/30/93/503263093.db2.gz DLCFFMOTLKKELH-UHFFFAOYSA-N 0 2 356.382 3.077 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000491058082 503267094 /nfs/dbraw/zinc/26/70/94/503267094.db2.gz GZGMFUISOIEQRC-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000508844492 503575305 /nfs/dbraw/zinc/57/53/05/503575305.db2.gz HDMZDASIJKBHQF-NSHDSACASA-N 0 2 370.340 3.116 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc(OCC2CC2)c(Cl)c1 ZINC000543312875 503720174 /nfs/dbraw/zinc/72/01/74/503720174.db2.gz QZQAKLGCUPCKGJ-UHFFFAOYSA-N 0 2 363.757 3.390 20 5 FGBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000540514352 503800880 /nfs/dbraw/zinc/80/08/80/503800880.db2.gz YBNZHQHDZDVFII-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000517923126 503867818 /nfs/dbraw/zinc/86/78/18/503867818.db2.gz HHRBHOGXUIIFDE-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN COc1ccc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000537767990 504033601 /nfs/dbraw/zinc/03/36/01/504033601.db2.gz JJIWLBDWDNPPJZ-UHFFFAOYSA-N 0 2 360.366 3.279 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c1C ZINC000534172521 504061476 /nfs/dbraw/zinc/06/14/76/504061476.db2.gz VRTVVDXWNLTDDB-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN COc1ccc(OC)c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000544641016 504201884 /nfs/dbraw/zinc/20/18/84/504201884.db2.gz PNEFRUBDUQGCMM-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CSC ZINC000544724862 504235887 /nfs/dbraw/zinc/23/58/87/504235887.db2.gz MNCJVUKJTXXGGH-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2)n1 ZINC000548190431 504365004 /nfs/dbraw/zinc/36/50/04/504365004.db2.gz DNZIAFKIPFDPAZ-UHFFFAOYSA-N 0 2 366.377 3.284 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2ncccc12 ZINC000545315446 504441548 /nfs/dbraw/zinc/44/15/48/504441548.db2.gz UTVWZLKSFYRQND-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CN(C)c1ncc(Br)c(/C=C\c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000549614547 504860175 /nfs/dbraw/zinc/86/01/75/504860175.db2.gz GXIXYAFJWKSVBC-HYXAFXHYSA-N 0 2 365.187 3.089 20 5 FGBDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551116950 505160559 /nfs/dbraw/zinc/16/05/59/505160559.db2.gz PHANOIMJFDHLIZ-UHFFFAOYSA-N 0 2 352.416 3.033 20 5 FGBDLN CC1(C)CCCc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc21 ZINC000564568265 505456069 /nfs/dbraw/zinc/45/60/69/505456069.db2.gz RGCSXQLWJKHWIQ-UHFFFAOYSA-N 0 2 367.452 3.466 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000612422917 506572957 /nfs/dbraw/zinc/57/29/57/506572957.db2.gz RNGLXHYUJNSEJE-HNNXBMFYSA-N 0 2 370.361 3.049 20 5 FGBDLN CC1(C)C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])c2cc(F)ccc2O1 ZINC000593815704 506785636 /nfs/dbraw/zinc/78/56/36/506785636.db2.gz OIDHDDWEERVSML-ZDUSSCGKSA-N 0 2 360.341 3.472 20 5 FGBDLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609218998 506817050 /nfs/dbraw/zinc/81/70/50/506817050.db2.gz ZTJYHCOGPQAOAJ-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Oc2cccc(F)c2)CC1 ZINC000600178623 506824532 /nfs/dbraw/zinc/82/45/32/506824532.db2.gz MSMYCMUXTONRQE-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ncc(C(=O)[O-])s1 ZINC000583872572 507022416 /nfs/dbraw/zinc/02/24/16/507022416.db2.gz SOMWUASJKKSLKF-SSDOTTSWSA-N 0 2 373.337 3.202 20 5 FGBDLN COc1cccc([C@@]2(C)CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000598225312 507328296 /nfs/dbraw/zinc/32/82/96/507328296.db2.gz MWIQSXXFHZLADT-IBGZPJMESA-N 0 2 356.378 3.113 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(Oc2ccccc2F)CC1 ZINC000601741553 507446248 /nfs/dbraw/zinc/44/62/48/507446248.db2.gz VMGVTTQPVHGQCC-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598504120 507462335 /nfs/dbraw/zinc/46/23/35/507462335.db2.gz XOQDFWYDELSOFT-UHFFFAOYSA-N 0 2 366.373 3.381 20 5 FGBDLN COC(=O)c1ccnc(Nc2cnn(CC(C)C)c2C(F)F)c1[N+](=O)[O-] ZINC000598609343 507517764 /nfs/dbraw/zinc/51/77/64/507517764.db2.gz XKPIJENYOKFOBJ-UHFFFAOYSA-N 0 2 369.328 3.310 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1C ZINC000598714853 507565559 /nfs/dbraw/zinc/56/55/59/507565559.db2.gz UZNNGUZSDSWDDX-LLVKDONJSA-N 0 2 366.443 3.488 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)ccc1Cl ZINC000120203466 700650523 /nfs/dbraw/zinc/65/05/23/700650523.db2.gz OCVUPPZLAVCLTK-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN Cc1c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])oc2ccccc12 ZINC000522376760 714185652 /nfs/dbraw/zinc/18/56/52/714185652.db2.gz IYZRSNPMXPZYCU-UHFFFAOYSA-N 0 2 364.354 3.267 20 5 FGBDLN CCCOc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619466724 714839630 /nfs/dbraw/zinc/83/96/30/714839630.db2.gz MLNSMADGVYTAOW-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)ccc1C ZINC000619467003 714839643 /nfs/dbraw/zinc/83/96/43/714839643.db2.gz IQACLJMCIBDIJR-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000619466318 714839703 /nfs/dbraw/zinc/83/97/03/714839703.db2.gz MOZRWZYPKKGWQB-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000619466717 714839712 /nfs/dbraw/zinc/83/97/12/714839712.db2.gz LTQVNMZKDVOJSE-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000619507810 714846919 /nfs/dbraw/zinc/84/69/19/714846919.db2.gz VXWXHNSGBNGSRI-UHFFFAOYSA-N 0 2 369.424 3.128 20 5 FGBDLN O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000753983992 722921454 /nfs/dbraw/zinc/92/14/54/722921454.db2.gz JRRCJPMHNGUNPI-AWEZNQCLSA-N 0 2 371.176 3.071 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)N(C)CC3)cc1C ZINC000776092607 724109493 /nfs/dbraw/zinc/10/94/93/724109493.db2.gz WUAZLTFXOCFFFE-UHFFFAOYSA-N 0 2 361.423 3.005 20 5 FGBDLN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000788307532 725057396 /nfs/dbraw/zinc/05/73/96/725057396.db2.gz QRBKNMWCFFCUPC-ZDUSSCGKSA-N 0 2 371.176 3.071 20 5 FGBDLN CC(C)(c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC000842499228 730508907 /nfs/dbraw/zinc/50/89/07/730508907.db2.gz MSBLDZDKIXSRJN-GHMZBOCLSA-N 0 2 357.288 3.427 20 5 FGBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Br ZINC000059354297 493905730 /nfs/dbraw/zinc/90/57/30/493905730.db2.gz DLGVBZGHDKYUCT-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000568424790 505691017 /nfs/dbraw/zinc/69/10/17/505691017.db2.gz AMUKAGXFPBQGGF-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN Cc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000064240926 494108513 /nfs/dbraw/zinc/10/85/13/494108513.db2.gz JMINAPVKVPMFAM-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000065087969 494171223 /nfs/dbraw/zinc/17/12/23/494171223.db2.gz PGNYHGQBQWKPDQ-UHFFFAOYSA-N 0 2 366.377 3.197 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000055678359 494387775 /nfs/dbraw/zinc/38/77/75/494387775.db2.gz VXAJGVQSPXCTPO-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN O=C(Cc1cccc(OC(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547011 494666204 /nfs/dbraw/zinc/66/62/04/494666204.db2.gz VTBZWIUNHAMXJT-UHFFFAOYSA-N 0 2 356.256 3.380 20 5 FGBDLN CC(=O)Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)sc2c1 ZINC000025040705 494691997 /nfs/dbraw/zinc/69/19/97/494691997.db2.gz RSKNYOIOHVIGCA-UHFFFAOYSA-N 0 2 372.362 3.121 20 5 FGBDLN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000047521560 494726520 /nfs/dbraw/zinc/72/65/20/494726520.db2.gz WJFRDYXGDUAAPO-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)cc1[N+](=O)[O-] ZINC000108640086 494754925 /nfs/dbraw/zinc/75/49/25/494754925.db2.gz XTTSERKLAPESEH-UHFFFAOYSA-N 0 2 366.443 3.026 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cc1[N+](=O)[O-] ZINC000132246963 494844999 /nfs/dbraw/zinc/84/49/99/494844999.db2.gz XBXHJOOCNOGQPP-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN COc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000132624247 494900975 /nfs/dbraw/zinc/90/09/75/494900975.db2.gz PYPKFXWRZGFVMB-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(Cl)ccn2)cc1[N+](=O)[O-] ZINC000128293816 495074315 /nfs/dbraw/zinc/07/43/15/495074315.db2.gz WXWDPMRTQAYBEQ-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN Cc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000119296627 495136917 /nfs/dbraw/zinc/13/69/17/495136917.db2.gz NYHOGAWNINZHNJ-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN CCSCc1ccnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000123736950 495178547 /nfs/dbraw/zinc/17/85/47/495178547.db2.gz CQBMQKAQOSCYAT-UHFFFAOYSA-N 0 2 367.452 3.352 20 5 FGBDLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000129029823 495186086 /nfs/dbraw/zinc/18/60/86/495186086.db2.gz YKBOBPOJTQRVNJ-UHFFFAOYSA-N 0 2 364.427 3.177 20 5 FGBDLN CCc1onc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000134766957 495197842 /nfs/dbraw/zinc/19/78/42/495197842.db2.gz CJIQBTSHDZTPDJ-UHFFFAOYSA-N 0 2 359.791 3.216 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccco1)Cc1cccnc1 ZINC000129404773 495240755 /nfs/dbraw/zinc/24/07/55/495240755.db2.gz MULWSKRGNMSFFF-UHFFFAOYSA-N 0 2 353.334 3.131 20 5 FGBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000135682273 495325797 /nfs/dbraw/zinc/32/57/97/495325797.db2.gz AEQACVBQJYVZKT-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000130077099 495338207 /nfs/dbraw/zinc/33/82/07/495338207.db2.gz XIRBRNDDQLJNBZ-YJBOKZPZSA-N 0 2 356.378 3.168 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000131254495 495512528 /nfs/dbraw/zinc/51/25/28/495512528.db2.gz ACCDTGJZMWPTHR-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182831833 495719490 /nfs/dbraw/zinc/71/94/90/495719490.db2.gz QDKKXLZLWLJLBV-CJNGLKHVSA-N 0 2 362.769 3.214 20 5 FGBDLN CC(=O)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)C(C)C ZINC000186587712 496057933 /nfs/dbraw/zinc/05/79/33/496057933.db2.gz XSWOVDAQMCWAPH-UHFFFAOYSA-N 0 2 371.393 3.310 20 5 FGBDLN Cc1nc2ccc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2o1 ZINC000161534263 496194014 /nfs/dbraw/zinc/19/40/14/496194014.db2.gz FMBLERSXNPIZCW-UHFFFAOYSA-N 0 2 361.379 3.462 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc3occ(C)c3c2)c([N+](=O)[O-])c1 ZINC000187079957 496284491 /nfs/dbraw/zinc/28/44/91/496284491.db2.gz HFBPTNYBWPWZNY-UHFFFAOYSA-N 0 2 362.363 3.459 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000184543947 496432386 /nfs/dbraw/zinc/43/23/86/496432386.db2.gz PLXVIFHSNOBCDO-GUYCJALGSA-N 0 2 374.393 3.402 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c1C ZINC000187717489 496544899 /nfs/dbraw/zinc/54/48/99/496544899.db2.gz ITTYVYNKZCHVGM-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C(C)C)c(C)s1 ZINC000578083863 505857514 /nfs/dbraw/zinc/85/75/14/505857514.db2.gz HJWKHQNUJUPEPV-UHFFFAOYSA-N 0 2 371.440 3.293 20 5 FGBDLN Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574879655 505874312 /nfs/dbraw/zinc/87/43/12/505874312.db2.gz HCYNUGFVMLLNTQ-UHFFFAOYSA-N 0 2 356.382 3.077 20 5 FGBDLN COCCc1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000191890729 496922430 /nfs/dbraw/zinc/92/24/30/496922430.db2.gz BBDFATAWXUJZFI-UHFFFAOYSA-N 0 2 364.423 3.201 20 5 FGBDLN CN(Cc1cc(Br)cs1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000234285777 497112492 /nfs/dbraw/zinc/11/24/92/497112492.db2.gz YNXPMVOVCZZGGY-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271276679 497309152 /nfs/dbraw/zinc/30/91/52/497309152.db2.gz NDXYUIPPFNZGOV-INIZCTEOSA-N 0 2 366.377 3.164 20 5 FGBDLN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000193655803 497437941 /nfs/dbraw/zinc/43/79/41/497437941.db2.gz BNDGAQNKISONBD-UHFFFAOYSA-N 0 2 364.317 3.460 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000191034491 497688659 /nfs/dbraw/zinc/68/86/59/497688659.db2.gz LBOHFXPPBAJKHA-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000280702661 497864245 /nfs/dbraw/zinc/86/42/45/497864245.db2.gz FMVPDEKAXMUOLI-UHFFFAOYSA-N 0 2 372.221 3.257 20 5 FGBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000280718403 497870668 /nfs/dbraw/zinc/87/06/68/497870668.db2.gz HBMBSCVDQRWDRU-LLVKDONJSA-N 0 2 369.377 3.140 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000575431510 505975606 /nfs/dbraw/zinc/97/56/06/505975606.db2.gz CDPQAABTNQSXAU-IRXDYDNUSA-N 0 2 356.378 3.394 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000575431510 505975608 /nfs/dbraw/zinc/97/56/08/505975608.db2.gz CDPQAABTNQSXAU-IRXDYDNUSA-N 0 2 356.378 3.394 20 5 FGBDLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000365278125 498383455 /nfs/dbraw/zinc/38/34/55/498383455.db2.gz LUBKAAVWRPYFMX-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN COc1ccccc1NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367695436 499225516 /nfs/dbraw/zinc/22/55/16/499225516.db2.gz AIUIVRNYOPLNSJ-UHFFFAOYSA-N 0 2 371.393 3.026 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000371590168 499345272 /nfs/dbraw/zinc/34/52/72/499345272.db2.gz XLZIIRPKSSSYEH-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000375692113 499545721 /nfs/dbraw/zinc/54/57/21/499545721.db2.gz YZWYJYLWWVYVHQ-CYBMUJFWSA-N 0 2 366.377 3.127 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000376062779 499579931 /nfs/dbraw/zinc/57/99/31/499579931.db2.gz VNNICLCTDACVEP-KDOFPFPSSA-N 0 2 374.368 3.168 20 5 FGBDLN Cc1ccc(F)c(N2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000376129796 499585246 /nfs/dbraw/zinc/58/52/46/499585246.db2.gz TWAANTJPULSAGT-UHFFFAOYSA-N 0 2 373.384 3.147 20 5 FGBDLN CC(C)C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000424955857 499976712 /nfs/dbraw/zinc/97/67/12/499976712.db2.gz PNMWSCMQIBXAQC-LBPRGKRZSA-N 0 2 366.414 3.034 20 5 FGBDLN CC1(C)CCc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000421258699 500005107 /nfs/dbraw/zinc/00/51/07/500005107.db2.gz MOMRPBPMDQEDOL-UHFFFAOYSA-N 0 2 359.454 3.137 20 5 FGBDLN Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3cccc([N+](=O)[O-])c3C)c2cc1C ZINC000573358910 506179022 /nfs/dbraw/zinc/17/90/22/506179022.db2.gz OCIDZTBKGZUNOP-KRWDZBQOSA-N 0 2 368.437 3.020 20 5 FGBDLN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1nc(C2CC2)ns1 ZINC000426517880 500283652 /nfs/dbraw/zinc/28/36/52/500283652.db2.gz VLSKDBAQYWGEJM-UHFFFAOYSA-N 0 2 373.360 3.288 20 5 FGBDLN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)sc2c1 ZINC000436959441 500578964 /nfs/dbraw/zinc/57/89/64/500578964.db2.gz HMTRIAOASTWNHZ-UHFFFAOYSA-N 0 2 372.362 3.121 20 5 FGBDLN O=C(NCc1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])cc1O ZINC000436958855 500579355 /nfs/dbraw/zinc/57/93/55/500579355.db2.gz DSBWKILIUMEASU-UHFFFAOYSA-N 0 2 363.782 3.494 20 5 FGBDLN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436977443 500585454 /nfs/dbraw/zinc/58/54/54/500585454.db2.gz RNWFLWHJLSTKIE-UHFFFAOYSA-N 0 2 373.365 3.161 20 5 FGBDLN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)cc(Br)c1O ZINC000436996207 500589906 /nfs/dbraw/zinc/58/99/06/500589906.db2.gz CYEDQCNEVVKHNA-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437309863 500628070 /nfs/dbraw/zinc/62/80/70/500628070.db2.gz VGIQIGJDZBFFNY-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000433110626 500628077 /nfs/dbraw/zinc/62/80/77/500628077.db2.gz BMRRRJLPWRSUAR-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000437321420 500630097 /nfs/dbraw/zinc/63/00/97/500630097.db2.gz KEOLFBYIYKBLDW-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000447648608 500638985 /nfs/dbraw/zinc/63/89/85/500638985.db2.gz CHFRXHNAPMFSRR-UHFFFAOYSA-N 0 2 358.354 3.003 20 5 FGBDLN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436493493 501138745 /nfs/dbraw/zinc/13/87/45/501138745.db2.gz PPYFYDBVTNGLTL-ROUUACIJSA-N 0 2 372.377 3.235 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(OC(F)F)c1 ZINC000436673755 501184875 /nfs/dbraw/zinc/18/48/75/501184875.db2.gz LWBHWBMEGTXNJI-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000446962524 501186962 /nfs/dbraw/zinc/18/69/62/501186962.db2.gz MPJRNYIIHUNFTA-UHFFFAOYSA-N 0 2 353.425 3.428 20 5 FGBDLN Nc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccnc1-c1ccccc1 ZINC000436707719 501192990 /nfs/dbraw/zinc/19/29/90/501192990.db2.gz PMQGMCDNRUMACK-UHFFFAOYSA-N 0 2 350.334 3.197 20 5 FGBDLN COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000436820620 501216386 /nfs/dbraw/zinc/21/63/86/501216386.db2.gz HUOLAPAYVHWIQY-AWEZNQCLSA-N 0 2 350.758 3.071 20 5 FGBDLN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436870168 501224452 /nfs/dbraw/zinc/22/44/52/501224452.db2.gz PMFXOMNNUFCQQL-GFCCVEGCSA-N 0 2 371.393 3.215 20 5 FGBDLN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436869095 501224742 /nfs/dbraw/zinc/22/47/42/501224742.db2.gz LDUMSSBTTVAPAR-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)OC(C)C ZINC000436922716 501233316 /nfs/dbraw/zinc/23/33/16/501233316.db2.gz ZTOJTJSHPCCFMA-SFHVURJKSA-N 0 2 374.393 3.205 20 5 FGBDLN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000451079283 501243709 /nfs/dbraw/zinc/24/37/09/501243709.db2.gz IIDJCOIVDMDTQK-SSDOTTSWSA-N 0 2 363.169 3.224 20 5 FGBDLN CCCCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000451100337 501245624 /nfs/dbraw/zinc/24/56/24/501245624.db2.gz SFEKPVHBIBUFHR-UHFFFAOYSA-N 0 2 370.818 3.182 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592829377 506269770 /nfs/dbraw/zinc/26/97/70/506269770.db2.gz ZKRYAGRAYBBOCG-SFHVURJKSA-N 0 2 370.405 3.104 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)c1C ZINC000481594382 501825737 /nfs/dbraw/zinc/82/57/37/501825737.db2.gz NPBAFVSTMNQURQ-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccn(-c2ccccc2)n1 ZINC000481974379 501933262 /nfs/dbraw/zinc/93/32/62/501933262.db2.gz CKBLRQNWFQCSKB-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(C)c1OC(F)F ZINC000486050782 502030642 /nfs/dbraw/zinc/03/06/42/502030642.db2.gz IZFVVWDCRYCDOZ-ARJAWSKDSA-N 0 2 353.281 3.185 20 5 FGBDLN Cc1[nH+]cn(-c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1C ZINC000461215143 502041600 /nfs/dbraw/zinc/04/16/00/502041600.db2.gz BKVHLHZKRAYBLR-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc([C@@H](C)CC)nc1 ZINC000478681878 502056904 /nfs/dbraw/zinc/05/69/04/502056904.db2.gz QHUQYIVYDUHCPO-NSHDSACASA-N 0 2 364.427 3.262 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000486563067 502191379 /nfs/dbraw/zinc/19/13/79/502191379.db2.gz RLCFMNAFNMMSOT-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)cc1C ZINC000468852343 502205966 /nfs/dbraw/zinc/20/59/66/502205966.db2.gz HFQIXTLEGGJIRD-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)c1C ZINC000468855148 502207794 /nfs/dbraw/zinc/20/77/94/502207794.db2.gz GOVCZXWFFXOHLM-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN CC(C)c1ccccc1S(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000468926961 502232957 /nfs/dbraw/zinc/23/29/57/502232957.db2.gz LNVUDEWLDWZJSI-UHFFFAOYSA-N 0 2 360.395 3.395 20 5 FGBDLN CC1(C)Cc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C(=O)C1 ZINC000475992550 502353077 /nfs/dbraw/zinc/35/30/77/502353077.db2.gz WTOKZRCBYJKNHF-UHFFFAOYSA-N 0 2 361.379 3.164 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000480198480 502499260 /nfs/dbraw/zinc/49/92/60/502499260.db2.gz PILSKIGRIFODGK-SNVBAGLBSA-N 0 2 352.416 3.180 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C ZINC000480225644 502506850 /nfs/dbraw/zinc/50/68/50/502506850.db2.gz MYMOUYZVBODLRW-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000480246325 502511841 /nfs/dbraw/zinc/51/18/41/502511841.db2.gz YPVUCVMALINNMB-LBPRGKRZSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1ccc(-n2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cn2)c(C)c1 ZINC000466408701 502562022 /nfs/dbraw/zinc/56/20/22/502562022.db2.gz HJYPOZIXNMOLRI-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000473526238 502623509 /nfs/dbraw/zinc/62/35/09/502623509.db2.gz PZOKVTUSZUZMLT-MRXNPFEDSA-N 0 2 358.394 3.068 20 5 FGBDLN CNc1c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cccc1[N+](=O)[O-] ZINC000462996018 502654417 /nfs/dbraw/zinc/65/44/17/502654417.db2.gz TXBFDCKXEDYAHB-UHFFFAOYSA-N 0 2 372.772 3.327 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000480726666 502655540 /nfs/dbraw/zinc/65/55/40/502655540.db2.gz IAHDBTYXOQGHST-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000509556852 502934466 /nfs/dbraw/zinc/93/44/66/502934466.db2.gz NUXJZEYULLCXIR-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000509597185 502944171 /nfs/dbraw/zinc/94/41/71/502944171.db2.gz YMNIWKSZEOMMBZ-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN CCOc1cc(CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1OC ZINC000509852628 502998545 /nfs/dbraw/zinc/99/85/45/502998545.db2.gz UNBMRJMYNBFASY-UHFFFAOYSA-N 0 2 374.393 3.070 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000515023109 503253045 /nfs/dbraw/zinc/25/30/45/503253045.db2.gz CGPGBRCJZGTUBT-UHFFFAOYSA-N 0 2 372.406 3.144 20 5 FGBDLN O=C(NCc1cc(F)ccc1Br)c1cc(O)ccc1[N+](=O)[O-] ZINC000507786783 503365667 /nfs/dbraw/zinc/36/56/67/503365667.db2.gz BFIDEZFXALUEAH-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN CC(C)Cn1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C(C)C ZINC000499287819 503372935 /nfs/dbraw/zinc/37/29/35/503372935.db2.gz UXKBZJRMNYKSOF-UHFFFAOYSA-N 0 2 366.443 3.372 20 5 FGBDLN O=C(NCCOc1ccc2ccccc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503694431 503460922 /nfs/dbraw/zinc/46/09/22/503460922.db2.gz GRMCCFQVFZACHP-UHFFFAOYSA-N 0 2 352.346 3.262 20 5 FGBDLN Cc1ccc(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000499782132 503481079 /nfs/dbraw/zinc/48/10/79/503481079.db2.gz PUALSUVTZARXKL-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1n[nH]c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000533947487 503999166 /nfs/dbraw/zinc/99/91/66/503999166.db2.gz WMRSAWJSINHADG-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000538299398 504196097 /nfs/dbraw/zinc/19/60/97/504196097.db2.gz ZDINYWYDVJEPCD-JTQLQIEISA-N 0 2 352.416 3.180 20 5 FGBDLN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000538316160 504202696 /nfs/dbraw/zinc/20/26/96/504202696.db2.gz VWAWFFOPFOPHRA-LBPRGKRZSA-N 0 2 371.393 3.215 20 5 FGBDLN Cc1n[nH]c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1ccccc1 ZINC000534681568 504213561 /nfs/dbraw/zinc/21/35/61/504213561.db2.gz GPMXTCSQXJUCKO-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000536518980 504753601 /nfs/dbraw/zinc/75/36/01/504753601.db2.gz SLMFRZVRSTXCDB-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(OC)c(OC)c1 ZINC000552878092 504780719 /nfs/dbraw/zinc/78/07/19/504780719.db2.gz FXTQKPXQPRZVQS-ZDUSSCGKSA-N 0 2 360.366 3.199 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557044511 505052526 /nfs/dbraw/zinc/05/25/26/505052526.db2.gz HGYNOQFXLPBRGR-GXTWGEPZSA-N 0 2 364.304 3.188 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c([N+](=O)[O-])c1 ZINC000567094665 505361740 /nfs/dbraw/zinc/36/17/40/505361740.db2.gz RSGOVWNDMBVZEZ-UHFFFAOYSA-N 0 2 373.390 3.195 20 5 FGBDLN COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000604187138 506741974 /nfs/dbraw/zinc/74/19/74/506741974.db2.gz JBNSDANJXOUJKJ-HNNXBMFYSA-N 0 2 356.378 3.156 20 5 FGBDLN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000593848931 506801808 /nfs/dbraw/zinc/80/18/08/506801808.db2.gz GJGRJDSGAYPQRZ-LBPRGKRZSA-N 0 2 364.398 3.027 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000600178508 506824775 /nfs/dbraw/zinc/82/47/75/506824775.db2.gz KIFOMBZGXMQTCA-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1nc(C(=O)[O-])cs1 ZINC000593948532 506843096 /nfs/dbraw/zinc/84/30/96/506843096.db2.gz MBAFLLVQNZNGHT-ZETCQYMHSA-N 0 2 373.337 3.202 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c2n[nH]cc21 ZINC000590598100 506874523 /nfs/dbraw/zinc/87/45/23/506874523.db2.gz CUYZQZAQNUBHQJ-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000610796476 507394319 /nfs/dbraw/zinc/39/43/19/507394319.db2.gz QTGVUTDEZHUBRY-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c(C)c1[N+](=O)[O-] ZINC000598735189 507573527 /nfs/dbraw/zinc/57/35/27/507573527.db2.gz SGVOLSUQILWSLH-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000586791137 507672758 /nfs/dbraw/zinc/67/27/58/507672758.db2.gz DTUKLCIFXJXALU-DTORHVGOSA-N 0 2 372.221 3.113 20 5 FGBDLN Cc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595973932 507753183 /nfs/dbraw/zinc/75/31/83/507753183.db2.gz JICTVVWWKVLUGY-AWEZNQCLSA-N 0 2 370.409 3.441 20 5 FGBDLN Cc1cc(NCc2ccc(-n3cc[nH+]c3)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897305 602315326 /nfs/dbraw/zinc/31/53/26/602315326.db2.gz OQZVWNKLGSJNBH-UHFFFAOYSA-N 0 2 352.350 3.399 20 5 FGBDLN Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1O ZINC000086170839 700370963 /nfs/dbraw/zinc/37/09/63/700370963.db2.gz XUICRTKOXSRCJN-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)cs1 ZINC000120262783 700651596 /nfs/dbraw/zinc/65/15/96/700651596.db2.gz PQJBSNSRPCFNQT-UHFFFAOYSA-N 0 2 372.399 3.385 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000132916499 700832785 /nfs/dbraw/zinc/83/27/85/700832785.db2.gz XSAPOIQQASLZLD-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cnc1Br ZINC000803097999 724429976 /nfs/dbraw/zinc/42/99/76/724429976.db2.gz JYMCGOVJIIAYQJ-UHFFFAOYSA-N 0 2 352.144 3.019 20 5 FGBDLN Cc1noc(C(F)(F)F)c1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000750182728 722757813 /nfs/dbraw/zinc/75/78/13/722757813.db2.gz XPIGQUDKLHZDJC-UHFFFAOYSA-N 0 2 351.187 3.441 20 5 FGBDLN CCCCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000775295589 723978882 /nfs/dbraw/zinc/97/88/82/723978882.db2.gz SXWJEWWNZYHXMV-UHFFFAOYSA-N 0 2 357.413 3.031 20 5 FGBDLN CCSCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386406 724298803 /nfs/dbraw/zinc/29/88/03/724298803.db2.gz IHKCWMDIQULPEX-UHFFFAOYSA-N 0 2 371.802 3.049 20 5 FGBDLN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(F)(F)F ZINC000809847792 725273078 /nfs/dbraw/zinc/27/30/78/725273078.db2.gz XCNYPAQFTDKRNF-BYPYZUCNSA-N 0 2 367.132 3.131 20 5 FGBDLN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(F)(F)F ZINC000809847796 725273101 /nfs/dbraw/zinc/27/31/01/725273101.db2.gz XCNYPAQFTDKRNF-SCSAIBSYSA-N 0 2 367.132 3.131 20 5 FGBDLN COc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)c([N+](=O)[O-])cc1C ZINC000820616188 729010858 /nfs/dbraw/zinc/01/08/58/729010858.db2.gz KMFLYXCMCRCIBK-UHFFFAOYSA-N 0 2 360.395 3.259 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2(c3cccc(OC(F)(F)F)c3)CC2)no1 ZINC000844878642 730784410 /nfs/dbraw/zinc/78/44/10/730784410.db2.gz ULYFPWARNZTAME-GHMZBOCLSA-N 0 2 355.272 3.181 20 5 FGBDLN Cc1sc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nc1C(C)C ZINC000849335870 731248853 /nfs/dbraw/zinc/24/88/53/731248853.db2.gz ALRUVUJYXVQTOP-UHFFFAOYSA-N 0 2 359.404 3.423 20 5 FGBDLN Cc1nc(-c2cccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)no1 ZINC000063849557 212033667 /nfs/dbraw/zinc/03/36/67/212033667.db2.gz LMFPVIMBMJWTRR-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc32)c([N+](=O)[O-])c1 ZINC000029130112 211506442 /nfs/dbraw/zinc/50/64/42/211506442.db2.gz FFFWFVRMWPALDL-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN Cc1ccc(Br)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000037369343 494104491 /nfs/dbraw/zinc/10/44/91/494104491.db2.gz KERZMUREQZZLNK-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032588154 493997865 /nfs/dbraw/zinc/99/78/65/493997865.db2.gz SDRGELDBHAWDHV-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1O ZINC000036342682 494090580 /nfs/dbraw/zinc/09/05/80/494090580.db2.gz QFBUFVNCPCSBHQ-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OC)c1 ZINC000011584549 494182170 /nfs/dbraw/zinc/18/21/70/494182170.db2.gz VEZKRBVBZDVWLF-OAHLLOKOSA-N 0 2 372.377 3.295 20 5 FGBDLN CSCc1cc(F)ccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000088466894 494240585 /nfs/dbraw/zinc/24/05/85/494240585.db2.gz MVNDGIHUOPZIGU-UHFFFAOYSA-N 0 2 350.371 3.233 20 5 FGBDLN O=C(NCCc1ccc(Br)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000014419028 494318425 /nfs/dbraw/zinc/31/84/25/494318425.db2.gz RSLYTZPFQJTABO-UHFFFAOYSA-N 0 2 371.212 3.097 20 5 FGBDLN O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540777 494321908 /nfs/dbraw/zinc/32/19/08/494321908.db2.gz NZDMYRDVSGWVKU-UHFFFAOYSA-N 0 2 350.277 3.180 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OC(C)C)cc1 ZINC000055619354 494374235 /nfs/dbraw/zinc/37/42/35/494374235.db2.gz HRIKZXAIJYIAJN-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018203361 494428988 /nfs/dbraw/zinc/42/89/88/494428988.db2.gz ZEUUYSPHHNZSBI-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN CN(c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000079704506 494511677 /nfs/dbraw/zinc/51/16/77/494511677.db2.gz ZBCRQWNWLCEWTD-UHFFFAOYSA-N 0 2 355.394 3.041 20 5 FGBDLN Cc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)s2)cc1 ZINC000108462523 494712560 /nfs/dbraw/zinc/71/25/60/494712560.db2.gz PUSGKPZKNWCOLH-UHFFFAOYSA-N 0 2 370.390 3.303 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000127307147 494925954 /nfs/dbraw/zinc/92/59/54/494925954.db2.gz DIPWMLVCEQEAGX-UHFFFAOYSA-N 0 2 361.832 3.458 20 5 FGBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000093909482 494933947 /nfs/dbraw/zinc/93/39/47/494933947.db2.gz UOGNBNYCDKOLDT-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN Cc1[nH]nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000093909482 494933949 /nfs/dbraw/zinc/93/39/49/494933949.db2.gz UOGNBNYCDKOLDT-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000123668490 495169064 /nfs/dbraw/zinc/16/90/64/495169064.db2.gz MRUWWZDBNCLRLH-MRVPVSSYSA-N 0 2 360.313 3.052 20 5 FGBDLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000128997433 495179900 /nfs/dbraw/zinc/17/99/00/495179900.db2.gz ZAZNHMHVOVWTFG-UHFFFAOYSA-N 0 2 364.427 3.177 20 5 FGBDLN CC1(C)CC(=O)c2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2O1 ZINC000568781327 505776514 /nfs/dbraw/zinc/77/65/14/505776514.db2.gz FWZGISVRPKCHRZ-UHFFFAOYSA-N 0 2 356.334 3.297 20 5 FGBDLN CC(C)c1[nH]nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1Br ZINC000124927127 495365579 /nfs/dbraw/zinc/36/55/79/495365579.db2.gz OPTPZVOPKPOQMB-UHFFFAOYSA-N 0 2 369.175 3.162 20 5 FGBDLN Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000106724253 495489415 /nfs/dbraw/zinc/48/94/15/495489415.db2.gz OGWXFGTVNFBCBV-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)sc2c1 ZINC000125753206 495493205 /nfs/dbraw/zinc/49/32/05/495493205.db2.gz PVOWKFRYKQYADQ-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000131254262 495513067 /nfs/dbraw/zinc/51/30/67/495513067.db2.gz ACCDTGJZMWPTHR-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)c([N+](=O)[O-])c1 ZINC000142063652 495513855 /nfs/dbraw/zinc/51/38/55/495513855.db2.gz CKQRFIUBXBRJKO-UHFFFAOYSA-N 0 2 362.407 3.283 20 5 FGBDLN Cc1ccccc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000171261882 495793577 /nfs/dbraw/zinc/79/35/77/495793577.db2.gz OJCLQAOGOLCFSX-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000183464688 495995785 /nfs/dbraw/zinc/99/57/85/495995785.db2.gz FEFHUXXUKDYXCS-UHFFFAOYSA-N 0 2 352.350 3.106 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(C3CC3)cs2)c1C ZINC000152124056 496054988 /nfs/dbraw/zinc/05/49/88/496054988.db2.gz CSYHRUCSIZUASM-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000180766445 496137014 /nfs/dbraw/zinc/13/70/14/496137014.db2.gz JBGLIYCTDZYQFN-UHFFFAOYSA-N 0 2 371.393 3.167 20 5 FGBDLN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1)c1ccoc1 ZINC000184497266 496411340 /nfs/dbraw/zinc/41/13/40/496411340.db2.gz MYXMAWRTYXRAAO-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000157522398 496495275 /nfs/dbraw/zinc/49/52/75/496495275.db2.gz XKUFBNQXMJZSCP-NSHDSACASA-N 0 2 369.377 3.140 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000184851939 496557755 /nfs/dbraw/zinc/55/77/55/496557755.db2.gz NUIGPAKZASSKMU-LLVKDONJSA-N 0 2 360.391 3.240 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164065434 496584092 /nfs/dbraw/zinc/58/40/92/496584092.db2.gz YRJPYYKBPRZHDN-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CCc1nnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)o1 ZINC000158090593 496625447 /nfs/dbraw/zinc/62/54/47/496625447.db2.gz QHOPVVNMAHMMGI-UHFFFAOYSA-N 0 2 354.322 3.165 20 5 FGBDLN Cc1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000182024894 496639553 /nfs/dbraw/zinc/63/95/53/496639553.db2.gz PKWCVFFGNLBGBX-UHFFFAOYSA-N 0 2 356.378 3.292 20 5 FGBDLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000194873000 496743498 /nfs/dbraw/zinc/74/34/98/496743498.db2.gz YYJCXCRTEJATHF-UHFFFAOYSA-N 0 2 374.806 3.021 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000217933505 497000089 /nfs/dbraw/zinc/00/00/89/497000089.db2.gz JCZMVYZFOVOJMF-UHFFFAOYSA-N 0 2 367.452 3.429 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(C)c3ncccc23)c([N+](=O)[O-])c1 ZINC000193126554 497308509 /nfs/dbraw/zinc/30/85/09/497308509.db2.gz CSFBEKMAFQWGSU-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(CCC(F)(F)F)CC(F)(F)F ZINC000279731315 497524368 /nfs/dbraw/zinc/52/43/68/497524368.db2.gz JHXUHGBNMGRXPZ-UHFFFAOYSA-N 0 2 360.210 3.257 20 5 FGBDLN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194410203 497657402 /nfs/dbraw/zinc/65/74/02/497657402.db2.gz HDEIYXBHQZWOSS-YJBOKZPZSA-N 0 2 356.378 3.198 20 5 FGBDLN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280900008 497941578 /nfs/dbraw/zinc/94/15/78/497941578.db2.gz DRDALTYFONPYMI-ZDUSSCGKSA-N 0 2 356.378 3.159 20 5 FGBDLN CCOc1cc2c(cc1NC(=O)c1cccc(O)c1[N+](=O)[O-])O[C@@H](C)C2 ZINC000280971044 497970803 /nfs/dbraw/zinc/97/08/03/497970803.db2.gz OJXITVHFTITYPT-JTQLQIEISA-N 0 2 358.350 3.275 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-])c1cccs1 ZINC000281071332 498009375 /nfs/dbraw/zinc/00/93/75/498009375.db2.gz ZUBQLPDAMFMEMQ-LLVKDONJSA-N 0 2 360.391 3.240 20 5 FGBDLN COc1ccc([C@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])c(C)c1OC ZINC000292495431 498037428 /nfs/dbraw/zinc/03/74/28/498037428.db2.gz CVSNIUSFCGPRBH-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN CC(C)Oc1ccc(=NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]n1 ZINC000575916173 506032713 /nfs/dbraw/zinc/03/27/13/506032713.db2.gz TVGXPHBYWVWYLX-UHFFFAOYSA-N 0 2 354.366 3.466 20 5 FGBDLN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367539537 499210349 /nfs/dbraw/zinc/21/03/49/499210349.db2.gz AYXKXQIIHKTCAS-UHFFFAOYSA-N 0 2 367.361 3.236 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1F ZINC000410407063 499660796 /nfs/dbraw/zinc/66/07/96/499660796.db2.gz MLNAPFPTPLJXFA-UHFFFAOYSA-N 0 2 358.322 3.073 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412735174 499880692 /nfs/dbraw/zinc/88/06/92/499880692.db2.gz HTVHXNJHQMFCBP-SFHVURJKSA-N 0 2 368.389 3.294 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnccc1-c1ccccc1 ZINC000432353996 500503951 /nfs/dbraw/zinc/50/39/51/500503951.db2.gz RSFWVSNAQXEPSR-UHFFFAOYSA-N 0 2 355.375 3.458 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C1CC1 ZINC000442235277 500573844 /nfs/dbraw/zinc/57/38/44/500573844.db2.gz HXVHQEPUGPAZMP-NSHDSACASA-N 0 2 364.427 3.441 20 5 FGBDLN CCCOc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442338979 500582067 /nfs/dbraw/zinc/58/20/67/500582067.db2.gz XXIXGKJPZOOIPR-UHFFFAOYSA-N 0 2 354.359 3.324 20 5 FGBDLN Cc1ccc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000442334992 500582110 /nfs/dbraw/zinc/58/21/10/500582110.db2.gz NKAQKCIDYZEJKD-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN COc1cc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1Cl ZINC000432960091 500597902 /nfs/dbraw/zinc/59/79/02/500597902.db2.gz KBEFRAJHZZZDTK-UHFFFAOYSA-N 0 2 371.802 3.069 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)ccc1[N+](=O)[O-] ZINC000437338454 500632555 /nfs/dbraw/zinc/63/25/55/500632555.db2.gz GKSPORDGYJUWOS-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000447717328 500651660 /nfs/dbraw/zinc/65/16/60/500651660.db2.gz WQQUBQMJTBCVPZ-ZDUSSCGKSA-N 0 2 358.247 3.315 20 5 FGBDLN CCOc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OCC)c1 ZINC000443407672 500719933 /nfs/dbraw/zinc/71/99/33/500719933.db2.gz IRKPGLVGXSJJGQ-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c1C ZINC000434973759 500918019 /nfs/dbraw/zinc/91/80/19/500918019.db2.gz OPHLPOPEMTXQJV-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=C1CCCN1c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000445202786 500954301 /nfs/dbraw/zinc/95/43/01/500954301.db2.gz GGNDGHGYHUOMQF-UHFFFAOYSA-N 0 2 366.333 3.144 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c([N+](=O)[O-])c1 ZINC000446952588 501185862 /nfs/dbraw/zinc/18/58/62/501185862.db2.gz QUOWTGWBKFVUDC-UHFFFAOYSA-N 0 2 353.425 3.428 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000436712188 501194053 /nfs/dbraw/zinc/19/40/53/501194053.db2.gz MWGUMFGAZYKYNC-AWEZNQCLSA-N 0 2 362.769 3.247 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H]2CCCCN2c2ccccc21 ZINC000436729350 501198670 /nfs/dbraw/zinc/19/86/70/501198670.db2.gz ASAXGGITGRUKKY-CQSZACIVSA-N 0 2 353.378 3.320 20 5 FGBDLN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1OC(C)C ZINC000436789403 501212059 /nfs/dbraw/zinc/21/20/59/501212059.db2.gz CGNXTINBOIBOCL-UHFFFAOYSA-N 0 2 374.349 3.127 20 5 FGBDLN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436822437 501216834 /nfs/dbraw/zinc/21/68/34/501216834.db2.gz OWGLMJHQDXSPPO-UHFFFAOYSA-N 0 2 358.354 3.003 20 5 FGBDLN O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436869642 501224474 /nfs/dbraw/zinc/22/44/74/501224474.db2.gz NJOMRIBWILZMOF-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN O=C(NCc1cc(Br)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000436872888 501225049 /nfs/dbraw/zinc/22/50/49/501225049.db2.gz XUWRGGKSDCIUGW-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000436872602 501225208 /nfs/dbraw/zinc/22/52/08/501225208.db2.gz QRHYXDWRGQSIBM-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436874040 501225390 /nfs/dbraw/zinc/22/53/90/501225390.db2.gz RXVFMPIVJWDRLB-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000436889686 501228128 /nfs/dbraw/zinc/22/81/28/501228128.db2.gz XARFYDXILLPXRH-UHFFFAOYSA-N 0 2 370.405 3.248 20 5 FGBDLN COCCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc21 ZINC000436899097 501229602 /nfs/dbraw/zinc/22/96/02/501229602.db2.gz DGIHHBQQOSXWLT-UHFFFAOYSA-N 0 2 355.350 3.154 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OC(C)C)c1 ZINC000451084518 501244270 /nfs/dbraw/zinc/24/42/70/501244270.db2.gz AFYXKFVANSEYOR-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccccc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000474299787 501781405 /nfs/dbraw/zinc/78/14/05/501781405.db2.gz SLKUTCRVOKSKLJ-UHFFFAOYSA-N 0 2 372.349 3.348 20 5 FGBDLN O=C([O-])Cc1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c([N+](=O)[O-])c1 ZINC000592967844 506315549 /nfs/dbraw/zinc/31/55/49/506315549.db2.gz JPEFQCRZDLUNDJ-UHFFFAOYSA-N 0 2 370.409 3.219 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000480200524 502500260 /nfs/dbraw/zinc/50/02/60/502500260.db2.gz SZZOAKLGEYNXMT-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000484460096 502645726 /nfs/dbraw/zinc/64/57/26/502645726.db2.gz UXOVVSBCESEFBU-UHFFFAOYSA-N 0 2 366.443 3.399 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c([N+](=O)[O-])c1 ZINC000473761136 502699969 /nfs/dbraw/zinc/69/99/69/502699969.db2.gz ZSXLEMBLMALNND-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000509382666 502889122 /nfs/dbraw/zinc/88/91/22/502889122.db2.gz DZCHEVSFXDRLCU-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc3c(cc2C)OCO3)cc1C ZINC000510108297 503050510 /nfs/dbraw/zinc/05/05/10/503050510.db2.gz BYGYOPVQOWWEJH-UHFFFAOYSA-N 0 2 364.379 3.050 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc3c(cc2C)OCO3)c1C ZINC000510121691 503054236 /nfs/dbraw/zinc/05/42/36/503054236.db2.gz WZDMDUCIOJTMNX-UHFFFAOYSA-N 0 2 364.379 3.050 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000506526052 503131678 /nfs/dbraw/zinc/13/16/78/503131678.db2.gz LJODPNYXIKXXAS-LLVKDONJSA-N 0 2 369.377 3.140 20 5 FGBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000502399286 503192963 /nfs/dbraw/zinc/19/29/63/503192963.db2.gz NSSABXMFFGBISU-UHFFFAOYSA-N 0 2 366.733 3.018 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000507023922 503215222 /nfs/dbraw/zinc/21/52/22/503215222.db2.gz YEUSANPRRVAKLT-UHFFFAOYSA-N 0 2 354.771 3.079 20 5 FGBDLN COCc1cccc2sc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])nc21 ZINC000511429220 503320708 /nfs/dbraw/zinc/32/07/08/503320708.db2.gz MKANAYDDLRKUIA-UHFFFAOYSA-N 0 2 359.363 3.309 20 5 FGBDLN Cc1ccccc1-c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n(C)n1 ZINC000499496739 503419204 /nfs/dbraw/zinc/41/92/04/503419204.db2.gz MRPGFPIZQRKZQU-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000543506263 503797649 /nfs/dbraw/zinc/79/76/49/503797649.db2.gz YGCUGRGWIAPAEX-UHFFFAOYSA-N 0 2 364.741 3.367 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000534055078 504027036 /nfs/dbraw/zinc/02/70/36/504027036.db2.gz QFLCFNVDTIDGLU-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN CN(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1Cl ZINC000537767107 504033858 /nfs/dbraw/zinc/03/38/58/504033858.db2.gz FTWRUHIHLXRKBI-HNNXBMFYSA-N 0 2 367.764 3.334 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000534258231 504086162 /nfs/dbraw/zinc/08/61/62/504086162.db2.gz BJJGFRZSFVUWGK-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN Cc1noc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)n1 ZINC000547795173 504228206 /nfs/dbraw/zinc/22/82/06/504228206.db2.gz WTPJTQCNSFZVDT-UHFFFAOYSA-N 0 2 354.322 3.220 20 5 FGBDLN CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000548124895 504339195 /nfs/dbraw/zinc/33/91/95/504339195.db2.gz DFGSUZFOSKKHHO-UHFFFAOYSA-N 0 2 372.377 3.437 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c32)c2ncccc12 ZINC000548149664 504348527 /nfs/dbraw/zinc/34/85/27/504348527.db2.gz GAAPGZVNGYKMPJ-UHFFFAOYSA-N 0 2 368.374 3.425 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000538755818 504359544 /nfs/dbraw/zinc/35/95/44/504359544.db2.gz RTYDGOVFJKHBSP-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CCOC(=O)c1cccc(N(CC)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000548451062 504450794 /nfs/dbraw/zinc/45/07/94/504450794.db2.gz XHNIDBJFXKRULC-UHFFFAOYSA-N 0 2 358.350 3.144 20 5 FGBDLN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc([N+](=O)[O-])cn1 ZINC000531890013 504460292 /nfs/dbraw/zinc/46/02/92/504460292.db2.gz BXVPQRJTARLKES-UHFFFAOYSA-N 0 2 372.562 3.364 20 5 FGBDLN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000542740410 504592959 /nfs/dbraw/zinc/59/29/59/504592959.db2.gz JKKJFJCMAUYQOW-YOEHRIQHSA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000539970963 504750778 /nfs/dbraw/zinc/75/07/78/504750778.db2.gz SNDFQGGDMWFYTL-UHFFFAOYSA-N 0 2 364.741 3.367 20 5 FGBDLN CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(F)cc1C ZINC000557117326 505070181 /nfs/dbraw/zinc/07/01/81/505070181.db2.gz GENCWCGTZQSCPO-UHFFFAOYSA-N 0 2 362.313 3.177 20 5 FGBDLN Cc1[nH+]c2ccccc2n1CCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566517854 505192869 /nfs/dbraw/zinc/19/28/69/505192869.db2.gz HOLQRSSUXMRSBZ-UHFFFAOYSA-N 0 2 354.366 3.453 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000554631842 505227575 /nfs/dbraw/zinc/22/75/75/505227575.db2.gz GLCLSLRKDLINOY-CQSZACIVSA-N 0 2 362.769 3.247 20 5 FGBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N=c1ccc(C2CC2)n[nH]1 ZINC000564119059 505330442 /nfs/dbraw/zinc/33/04/42/505330442.db2.gz WPLUCPLVLOLTAW-UHFFFAOYSA-N 0 2 364.814 3.068 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000612427352 506573220 /nfs/dbraw/zinc/57/32/20/506573220.db2.gz LUFHXZRTUPXHQZ-HNNXBMFYSA-N 0 2 370.361 3.049 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000599750205 506616995 /nfs/dbraw/zinc/61/69/95/506616995.db2.gz GNZAPWKUAOIVCM-SECBINFHSA-N 0 2 370.287 3.032 20 5 FGBDLN COc1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000603780516 506617599 /nfs/dbraw/zinc/61/75/99/506617599.db2.gz OZLCWYTYWAERAK-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000603780069 506618135 /nfs/dbraw/zinc/61/81/35/506618135.db2.gz NEVAIWVATCSKQY-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000600227877 506859775 /nfs/dbraw/zinc/85/97/75/506859775.db2.gz OYDZUYKPFXSVLI-LBPRGKRZSA-N 0 2 360.439 3.127 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598500573 507459485 /nfs/dbraw/zinc/45/94/85/507459485.db2.gz CGHQCWXZVGXBHN-UHFFFAOYSA-N 0 2 366.373 3.381 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[nH]nc1C(C)C ZINC000598734384 507573359 /nfs/dbraw/zinc/57/33/59/507573359.db2.gz HMCYEHQILIFEMU-UHFFFAOYSA-N 0 2 352.416 3.167 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n[nH]c1C(C)C ZINC000598734384 507573363 /nfs/dbraw/zinc/57/33/63/507573363.db2.gz HMCYEHQILIFEMU-UHFFFAOYSA-N 0 2 352.416 3.167 20 5 FGBDLN CO[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000586798166 507675178 /nfs/dbraw/zinc/67/51/78/507675178.db2.gz IZPJBNOJMKKERK-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN CCCOc1cc(F)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120288513 700652313 /nfs/dbraw/zinc/65/23/13/700652313.db2.gz PJSXJRNNYYXCFW-UHFFFAOYSA-N 0 2 360.388 3.385 20 5 FGBDLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171342487 705381438 /nfs/dbraw/zinc/38/14/38/705381438.db2.gz DXCSBYDVERPVDW-VIFPVBQESA-N 0 2 370.818 3.217 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000619467199 714839672 /nfs/dbraw/zinc/83/96/72/714839672.db2.gz SVFBAUACGARZJW-LLVKDONJSA-N 0 2 366.395 3.112 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3ocnc32)ccc1Cl ZINC000790005714 723093393 /nfs/dbraw/zinc/09/33/93/723093393.db2.gz TZDUUMXMMYSNEQ-UHFFFAOYSA-N 0 2 353.743 3.190 20 5 FGBDLN COc1ccc(CSCC(=O)NOC2CCCCC2)cc1[N+](=O)[O-] ZINC000777958538 724275748 /nfs/dbraw/zinc/27/57/48/724275748.db2.gz OAFBOWAZOVTOOW-UHFFFAOYSA-N 0 2 354.428 3.217 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]nc1-c1ccccc1 ZINC000540208855 503709651 /nfs/dbraw/zinc/70/96/51/503709651.db2.gz XGMPOKKSUZFDKM-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000068338524 493800042 /nfs/dbraw/zinc/80/00/42/493800042.db2.gz WQNQWOITIBHDSI-UHFFFAOYSA-N 0 2 360.713 3.256 20 5 FGBDLN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068466316 493825887 /nfs/dbraw/zinc/82/58/87/493825887.db2.gz LSJMFFOCVDDKDK-MRXNPFEDSA-N 0 2 366.377 3.164 20 5 FGBDLN CC(C)(C)c1csc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000006352185 493960132 /nfs/dbraw/zinc/96/01/32/493960132.db2.gz UKACTJZZQAKWEG-UHFFFAOYSA-N 0 2 355.441 3.291 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000007708214 494037316 /nfs/dbraw/zinc/03/73/16/494037316.db2.gz PUIBZNPYZFGISV-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000012882497 494267027 /nfs/dbraw/zinc/26/70/27/494267027.db2.gz PXLJOTHHAQJUTI-OAHLLOKOSA-N 0 2 372.377 3.113 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000055546122 494358916 /nfs/dbraw/zinc/35/89/16/494358916.db2.gz YASYNVOQTGTUPB-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066586171 494360882 /nfs/dbraw/zinc/36/08/82/494360882.db2.gz YHHLPRGGWYMQIK-UHFFFAOYSA-N 0 2 354.359 3.322 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000055593856 494369083 /nfs/dbraw/zinc/36/90/83/494369083.db2.gz HFXVEGXWFQPZDQ-UHFFFAOYSA-N 0 2 364.379 3.211 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000067180148 494491059 /nfs/dbraw/zinc/49/10/59/494491059.db2.gz DYWQDPWJDIXAJJ-CQSZACIVSA-N 0 2 370.361 3.049 20 5 FGBDLN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000133346697 495003834 /nfs/dbraw/zinc/00/38/34/495003834.db2.gz OCKAVMOLGBSOKZ-KBXCAEBGSA-N 0 2 356.378 3.198 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000135342482 495279672 /nfs/dbraw/zinc/27/96/72/495279672.db2.gz KXKNQPYJQKCNIV-UHFFFAOYSA-N 0 2 366.333 3.480 20 5 FGBDLN Cc1cc(C)n(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2F)n1 ZINC000124975177 495373262 /nfs/dbraw/zinc/37/32/62/495373262.db2.gz XYOBXUZQZQWEJX-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000142069414 495513716 /nfs/dbraw/zinc/51/37/16/495513716.db2.gz DDKMDKLVCUXGPB-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(Nc2ccccc2F)CC1 ZINC000179518360 495625042 /nfs/dbraw/zinc/62/50/42/495625042.db2.gz TZLIBXWKJVEZEL-UHFFFAOYSA-N 0 2 359.357 3.156 20 5 FGBDLN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000151013554 495711298 /nfs/dbraw/zinc/71/12/98/495711298.db2.gz BZEROMLWJBXDLE-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000185909672 495775622 /nfs/dbraw/zinc/77/56/22/495775622.db2.gz BMZRXSBJVARIBM-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c1C ZINC000171342865 495829208 /nfs/dbraw/zinc/82/92/08/495829208.db2.gz PEOYZCQJMZYMOU-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000159870013 495829437 /nfs/dbraw/zinc/82/94/37/495829437.db2.gz UAADJEAXHUTDNS-SNVBAGLBSA-N 0 2 368.415 3.031 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)s1 ZINC000159927908 495843040 /nfs/dbraw/zinc/84/30/40/495843040.db2.gz GEFKWFKSSBLAHV-UHFFFAOYSA-N 0 2 374.450 3.037 20 5 FGBDLN CCCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc21 ZINC000180100629 495858116 /nfs/dbraw/zinc/85/81/16/495858116.db2.gz DURASSBMDFBANV-UHFFFAOYSA-N 0 2 369.377 3.242 20 5 FGBDLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000176970621 495863800 /nfs/dbraw/zinc/86/38/00/495863800.db2.gz UKDWXAHMNWYELJ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC(=O)N(Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)C(C)C ZINC000160438190 495964555 /nfs/dbraw/zinc/96/45/55/495964555.db2.gz HGHLPFFXKQCANT-UHFFFAOYSA-N 0 2 371.393 3.310 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC000161120687 496107896 /nfs/dbraw/zinc/10/78/96/496107896.db2.gz ALEOTVRTNMNTQY-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(N2CCCCCC2)nc1 ZINC000155986556 496125912 /nfs/dbraw/zinc/12/59/12/496125912.db2.gz JQJPULVQSQWGCX-UHFFFAOYSA-N 0 2 356.382 3.328 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1ccc(F)cc1 ZINC000180880279 496183482 /nfs/dbraw/zinc/18/34/82/496183482.db2.gz LSWXVWPJPKWZHL-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000172182200 496198362 /nfs/dbraw/zinc/19/83/62/496198362.db2.gz ZLHFFOVDWLXRQK-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3O)nc2c1 ZINC000184306289 496328426 /nfs/dbraw/zinc/32/84/26/496328426.db2.gz SZUKTLUEXNKIKD-MRXNPFEDSA-N 0 2 366.377 3.462 20 5 FGBDLN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3O)[nH]c2c1 ZINC000184306289 496328433 /nfs/dbraw/zinc/32/84/33/496328433.db2.gz SZUKTLUEXNKIKD-MRXNPFEDSA-N 0 2 366.377 3.462 20 5 FGBDLN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(F)cc1F ZINC000178201779 496367991 /nfs/dbraw/zinc/36/79/91/496367991.db2.gz BZUVMYIBDIUBKH-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184595324 496456723 /nfs/dbraw/zinc/45/67/23/496456723.db2.gz UFRULNHPGCXKAR-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN CCc1nnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)o1 ZINC000187532731 496480445 /nfs/dbraw/zinc/48/04/45/496480445.db2.gz KTUXMLMYAPOJOY-UHFFFAOYSA-N 0 2 354.322 3.165 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(COc2ccccc2)CC1 ZINC000184753735 496518991 /nfs/dbraw/zinc/51/89/91/496518991.db2.gz KWJCSQRHUZHFNY-UHFFFAOYSA-N 0 2 356.378 3.232 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1-c1ccccc1 ZINC000178803094 496577161 /nfs/dbraw/zinc/57/71/61/496577161.db2.gz JSVGLOMYWJSNTE-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000182092180 496666875 /nfs/dbraw/zinc/66/68/75/496666875.db2.gz QNQLMEBNJKCLBJ-AWEZNQCLSA-N 0 2 354.362 3.178 20 5 FGBDLN CCOCCOCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000273451403 496810790 /nfs/dbraw/zinc/81/07/90/496810790.db2.gz UAIBDFXNMDEQBV-UHFFFAOYSA-N 0 2 374.393 3.414 20 5 FGBDLN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc([N+](=O)[O-])cc1O ZINC000193653893 497438589 /nfs/dbraw/zinc/43/85/89/497438589.db2.gz DJBNULLXZOYGFX-UHFFFAOYSA-N 0 2 364.317 3.460 20 5 FGBDLN Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000190406423 497467609 /nfs/dbraw/zinc/46/76/09/497467609.db2.gz CJCSLDHYHNMRBJ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)oc1C ZINC000272178706 497557355 /nfs/dbraw/zinc/55/73/55/497557355.db2.gz SCCJALMJLFBCLN-UHFFFAOYSA-N 0 2 365.289 3.019 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cnn1C1CCCC1 ZINC000194230640 497608665 /nfs/dbraw/zinc/60/86/65/497608665.db2.gz ICZUATVMVJCXRR-UHFFFAOYSA-N 0 2 368.390 3.155 20 5 FGBDLN Cn1ccnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000194318761 497633222 /nfs/dbraw/zinc/63/32/22/497633222.db2.gz BXPFNSFHTPTULN-UHFFFAOYSA-N 0 2 370.390 3.437 20 5 FGBDLN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194410190 497656990 /nfs/dbraw/zinc/65/69/90/497656990.db2.gz HDEIYXBHQZWOSS-MAUKXSAKSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000194777320 497768023 /nfs/dbraw/zinc/76/80/23/497768023.db2.gz TYYQPNCKFHKINT-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000290498300 498576680 /nfs/dbraw/zinc/57/66/80/498576680.db2.gz FCIFLYDRZZLLJT-CQSZACIVSA-N 0 2 372.381 3.318 20 5 FGBDLN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000369888705 499145718 /nfs/dbraw/zinc/14/57/18/499145718.db2.gz PEAFFMBFVOZWKU-NSHDSACASA-N 0 2 361.423 3.257 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000367741821 499229834 /nfs/dbraw/zinc/22/98/34/499229834.db2.gz SIPSAXFFSZUSAB-LLVKDONJSA-N 0 2 353.334 3.446 20 5 FGBDLN O=C(NCc1csc(Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000398315355 499567259 /nfs/dbraw/zinc/56/72/59/499567259.db2.gz VOIBZKMQRBGFGJ-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN Cc1cc(C)cc(CS(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000410333027 499655507 /nfs/dbraw/zinc/65/55/07/499655507.db2.gz OGBHCEODYQAYRQ-UHFFFAOYSA-N 0 2 360.395 3.030 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)c(C)cc1[N+](=O)[O-] ZINC000414439936 499792316 /nfs/dbraw/zinc/79/23/16/499792316.db2.gz LNIOLODUCWWYFD-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nn1C(C)C ZINC000421184994 499985931 /nfs/dbraw/zinc/98/59/31/499985931.db2.gz QEQNQCDZWRHTCU-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc2cccnc21 ZINC000427636362 500414532 /nfs/dbraw/zinc/41/45/32/500414532.db2.gz KGFJVMYLEQATNU-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c1C ZINC000427797577 500433619 /nfs/dbraw/zinc/43/36/19/500433619.db2.gz LORAMUNTBTUBFO-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442223239 500572494 /nfs/dbraw/zinc/57/24/94/500572494.db2.gz MBDTZSQZCDUYOS-UHFFFAOYSA-N 0 2 354.359 3.322 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437322065 500629896 /nfs/dbraw/zinc/62/98/96/500629896.db2.gz DAWFLOOBZLPNOC-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCC4)cn3)no2)cc1O ZINC000445227290 500957090 /nfs/dbraw/zinc/95/70/90/500957090.db2.gz GLLNAXLBCVIENP-UHFFFAOYSA-N 0 2 353.338 3.013 20 5 FGBDLN COc1cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1O ZINC000446144219 501082456 /nfs/dbraw/zinc/08/24/56/501082456.db2.gz BZLXOMCNBAWJTD-UHFFFAOYSA-N 0 2 354.244 3.266 20 5 FGBDLN COc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1O ZINC000446144219 501082459 /nfs/dbraw/zinc/08/24/59/501082459.db2.gz BZLXOMCNBAWJTD-UHFFFAOYSA-N 0 2 354.244 3.266 20 5 FGBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000436635580 501174428 /nfs/dbraw/zinc/17/44/28/501174428.db2.gz MAAWFLXVVUCDLC-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436676024 501185812 /nfs/dbraw/zinc/18/58/12/501185812.db2.gz ZNLQOZUXOZAFLP-HNNXBMFYSA-N 0 2 372.377 3.295 20 5 FGBDLN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)c1cc(Cl)ccc1O ZINC000436677336 501186046 /nfs/dbraw/zinc/18/60/46/501186046.db2.gz XEPOBBKIBSOXER-UHFFFAOYSA-N 0 2 358.741 3.018 20 5 FGBDLN CCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436750831 501204042 /nfs/dbraw/zinc/20/40/42/501204042.db2.gz HMIRVCOFVAMRME-NSHDSACASA-N 0 2 360.366 3.199 20 5 FGBDLN O=C(NCc1csc(Br)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436753053 501205230 /nfs/dbraw/zinc/20/52/30/501205230.db2.gz ZSTDIFWZYOHYKD-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN COC(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1OC(C)C ZINC000436795845 501212649 /nfs/dbraw/zinc/21/26/49/501212649.db2.gz GJBFSFQQRXVKLP-UHFFFAOYSA-N 0 2 374.349 3.127 20 5 FGBDLN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436870169 501224348 /nfs/dbraw/zinc/22/43/48/501224348.db2.gz PMFXOMNNUFCQQL-LBPRGKRZSA-N 0 2 371.393 3.215 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1C[C@H](OCC)C1(C)C ZINC000436868201 501224639 /nfs/dbraw/zinc/22/46/39/501224639.db2.gz HJMMDOANELYUQG-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000436894962 501229032 /nfs/dbraw/zinc/22/90/32/501229032.db2.gz AENPFHDBYAMWLC-LLVKDONJSA-N 0 2 370.340 3.116 20 5 FGBDLN COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)OC(C)C ZINC000436922715 501233435 /nfs/dbraw/zinc/23/34/35/501233435.db2.gz ZTOJTJSHPCCFMA-GOSISDBHSA-N 0 2 374.393 3.205 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc1C1CC1 ZINC000451053745 501242252 /nfs/dbraw/zinc/24/22/52/501242252.db2.gz INFJBIYJSXLSEL-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000451060591 501242633 /nfs/dbraw/zinc/24/26/33/501242633.db2.gz YMUFJIDOPLPTHF-GFCCVEGCSA-N 0 2 368.436 3.269 20 5 FGBDLN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)(F)F ZINC000451070675 501243277 /nfs/dbraw/zinc/24/32/77/501243277.db2.gz JAGASOQPEJTIHK-RXMQYKEDSA-N 0 2 363.169 3.224 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000451094485 501245185 /nfs/dbraw/zinc/24/51/85/501245185.db2.gz YFXHYDQWFCDXBS-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000470572260 501731423 /nfs/dbraw/zinc/73/14/23/501731423.db2.gz AJWILNYIHGCUAC-SNVBAGLBSA-N 0 2 352.416 3.331 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000474300573 501781978 /nfs/dbraw/zinc/78/19/78/501781978.db2.gz CWULSNZYJWDHST-UHFFFAOYSA-N 0 2 372.349 3.348 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000474417775 501828424 /nfs/dbraw/zinc/82/84/24/501828424.db2.gz UIYJZQYLGQFNRS-UHFFFAOYSA-N 0 2 364.427 3.475 20 5 FGBDLN COc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)c([N+](=O)[O-])cc1OC ZINC000474441598 501838661 /nfs/dbraw/zinc/83/86/61/501838661.db2.gz OXFYCIPJOOJTIT-UHFFFAOYSA-N 0 2 370.720 3.362 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c2n[nH]cc21 ZINC000481986780 501936866 /nfs/dbraw/zinc/93/68/66/501936866.db2.gz ZXCSVWSDCJOORQ-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c1[N+](=O)[O-] ZINC000479115555 502167771 /nfs/dbraw/zinc/16/77/71/502167771.db2.gz NGPZOEAIRLMESY-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1occc1-c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000486576130 502195611 /nfs/dbraw/zinc/19/56/11/502195611.db2.gz OYEDLLLMFBADCX-UHFFFAOYSA-N 0 2 363.351 3.093 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000468958601 502243755 /nfs/dbraw/zinc/24/37/55/502243755.db2.gz MWWXPBZSFDVUHI-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnc(CC(C)C)nc2)cc1[N+](=O)[O-] ZINC000475829885 502303045 /nfs/dbraw/zinc/30/30/45/502303045.db2.gz ROIKYIHQIPUYNJ-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN Cc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OC2CCC2)n1 ZINC000472436396 502350278 /nfs/dbraw/zinc/35/02/78/502350278.db2.gz UXGGEPNTYDFSGU-UHFFFAOYSA-N 0 2 357.366 3.496 20 5 FGBDLN COc1ccc(CCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000483436647 502392706 /nfs/dbraw/zinc/39/27/06/502392706.db2.gz GNJVSYBUAYVOBN-UHFFFAOYSA-N 0 2 360.366 3.279 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1[N+](=O)[O-] ZINC000480243985 502511656 /nfs/dbraw/zinc/51/16/56/502511656.db2.gz GHKUKHPHRUNWSQ-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000484462276 502646418 /nfs/dbraw/zinc/64/64/18/502646418.db2.gz XNBYVKLBNWERDP-UHFFFAOYSA-N 0 2 366.443 3.399 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000488377510 502697708 /nfs/dbraw/zinc/69/77/08/502697708.db2.gz HJIDKLDLLVMEIS-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000505125519 502855625 /nfs/dbraw/zinc/85/56/25/502855625.db2.gz NTQFYWVAJCBFFK-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505256618 502878377 /nfs/dbraw/zinc/87/83/77/502878377.db2.gz BQJIBSIJGYVQAK-ZDUSSCGKSA-N 0 2 356.378 3.159 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000509614869 502948979 /nfs/dbraw/zinc/94/89/79/502948979.db2.gz STXRSKCGIAPNLR-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN Cc1ccc(-c2nc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)co2)cc1 ZINC000510042355 503036410 /nfs/dbraw/zinc/03/64/10/503036410.db2.gz NCZZEIYRWFPZKO-UHFFFAOYSA-N 0 2 353.334 3.194 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC000543642580 503838634 /nfs/dbraw/zinc/83/86/34/503838634.db2.gz SBYCHTWUXASZBL-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000541303009 504080797 /nfs/dbraw/zinc/08/07/97/504080797.db2.gz HYGGTHPVYKLZOP-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000538871611 504399938 /nfs/dbraw/zinc/39/99/38/504399938.db2.gz OLSHTJCDPQEXAM-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCn2cccc2[C@H]1c1ccccc1 ZINC000539409830 504562204 /nfs/dbraw/zinc/56/22/04/504562204.db2.gz FZAVYTMBAHSIOJ-GOSISDBHSA-N 0 2 363.373 3.347 20 5 FGBDLN Cc1cc(Oc2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2)n[nH]1 ZINC000539490094 504587972 /nfs/dbraw/zinc/58/79/72/504587972.db2.gz RNWQNYLQWKULFF-UHFFFAOYSA-N 0 2 354.322 3.377 20 5 FGBDLN COc1cc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000536199921 504664052 /nfs/dbraw/zinc/66/40/52/504664052.db2.gz XRYNJLQCNGJPTM-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN CC(C)NC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000556264248 504831194 /nfs/dbraw/zinc/83/11/94/504831194.db2.gz VQWVYVYYCJFGSV-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN Cn1cc(Nc2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)cn1 ZINC000556893829 505008632 /nfs/dbraw/zinc/00/86/32/505008632.db2.gz ZLTWQSHWAFPPKL-UHFFFAOYSA-N 0 2 353.338 3.030 20 5 FGBDLN O=c1[nH]nc([C@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000561345387 505321103 /nfs/dbraw/zinc/32/11/03/505321103.db2.gz YEVXLCPZPSBDSR-ZETCQYMHSA-N 0 2 358.185 3.109 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000552215834 505430838 /nfs/dbraw/zinc/43/08/38/505430838.db2.gz KVIUQUKTBGHRHU-ZCFIWIBFSA-N 0 2 361.301 3.267 20 5 FGBDLN CCOC(=O)c1ccnc(Nc2cc(C)n(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000562238824 505548608 /nfs/dbraw/zinc/54/86/08/505548608.db2.gz CFABYIDEZKVLBJ-UHFFFAOYSA-N 0 2 373.413 3.342 20 5 FGBDLN CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000603595537 506571144 /nfs/dbraw/zinc/57/11/44/506571144.db2.gz PWKUMJVXPLNMKR-LLVKDONJSA-N 0 2 360.366 3.199 20 5 FGBDLN CCCOc1cc(C)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000603982581 506679409 /nfs/dbraw/zinc/67/94/09/506679409.db2.gz SUBAWHVDKQAEGH-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000593738488 506754714 /nfs/dbraw/zinc/75/47/14/506754714.db2.gz TUZVYPGXPMCAEW-FZKQIMNGSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000593738488 506754720 /nfs/dbraw/zinc/75/47/20/506754720.db2.gz TUZVYPGXPMCAEW-FZKQIMNGSA-N 0 2 356.378 3.255 20 5 FGBDLN CCCn1c2ccccc2nc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000609321658 506851448 /nfs/dbraw/zinc/85/14/48/506851448.db2.gz KBMSRGSYKSRJOB-UHFFFAOYSA-N 0 2 374.422 3.464 20 5 FGBDLN COc1ccc(C)cc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590597736 506873817 /nfs/dbraw/zinc/87/38/17/506873817.db2.gz XMUNCNMPTHPTSC-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc([N+](=O)[O-])o1 ZINC000609506664 506902640 /nfs/dbraw/zinc/90/26/40/506902640.db2.gz PXGRVRAMEJCVFI-UHFFFAOYSA-N 0 2 350.743 3.034 20 5 FGBDLN COc1ccc([C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1F ZINC000600774113 507113194 /nfs/dbraw/zinc/11/31/94/507113194.db2.gz BYLCAECODHLJAB-GFCCVEGCSA-N 0 2 360.341 3.078 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)CCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000594722147 507252879 /nfs/dbraw/zinc/25/28/79/507252879.db2.gz ZUFBKSNWUJSEDR-UHFFFAOYSA-N 0 2 368.386 3.117 20 5 FGBDLN COc1cccc([C@@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000598226137 507327717 /nfs/dbraw/zinc/32/77/17/507327717.db2.gz STLKZPAIVGHTCO-IBGZPJMESA-N 0 2 356.378 3.113 20 5 FGBDLN COc1cccc([C@@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000598232738 507333659 /nfs/dbraw/zinc/33/36/59/507333659.db2.gz QSFYWGUKJYPLEF-IBGZPJMESA-N 0 2 356.378 3.113 20 5 FGBDLN O=C1N=NC([C@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)O1 ZINC000585701994 507598414 /nfs/dbraw/zinc/59/84/14/507598414.db2.gz SEYDLKSMRHTMDJ-QMMMGPOBSA-N 0 2 358.276 3.086 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000586791138 507672581 /nfs/dbraw/zinc/67/25/81/507672581.db2.gz DTUKLCIFXJXALU-IUCAKERBSA-N 0 2 372.221 3.113 20 5 FGBDLN O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000611534492 507726971 /nfs/dbraw/zinc/72/69/71/507726971.db2.gz IACJECGDMVIGGY-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN C[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000828302045 604272510 /nfs/dbraw/zinc/27/25/10/604272510.db2.gz CXOGCDZYFJNUNG-BMIGLBTASA-N 0 2 364.789 3.230 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(O)c1 ZINC000092259232 700433565 /nfs/dbraw/zinc/43/35/65/700433565.db2.gz HTHBPFLHSGMXOM-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000194340362 713519031 /nfs/dbraw/zinc/51/90/31/713519031.db2.gz XQCZBJUQODUOID-UHFFFAOYSA-N 0 2 371.415 3.260 20 5 FGBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2OC(F)F)ccc1F ZINC000195438815 713556468 /nfs/dbraw/zinc/55/64/68/713556468.db2.gz GFBHZSOGZXUSPP-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000731783389 722478114 /nfs/dbraw/zinc/47/81/14/722478114.db2.gz FYGHCMGAPUOXBE-UHFFFAOYSA-N 0 2 369.830 3.423 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000752198063 722848747 /nfs/dbraw/zinc/84/87/47/722848747.db2.gz YCISQAOJCBBLPC-UHFFFAOYSA-N 0 2 374.831 3.086 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000760343979 723050196 /nfs/dbraw/zinc/05/01/96/723050196.db2.gz KRYDMUQHXFOYDP-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN Cc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1O ZINC000762454102 723244832 /nfs/dbraw/zinc/24/48/32/723244832.db2.gz CYYCBEZCZAVUAO-UHFFFAOYSA-N 0 2 354.359 3.166 20 5 FGBDLN CC(C)COc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768867745 723670158 /nfs/dbraw/zinc/67/01/58/723670158.db2.gz JMVPSKQWEPAAKS-UHFFFAOYSA-N 0 2 356.425 3.492 20 5 FGBDLN O=C1NC(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000771745318 723741410 /nfs/dbraw/zinc/74/14/10/723741410.db2.gz PIHSOJSGCCBBEO-SDQBBNPISA-N 0 2 359.725 3.051 20 5 FGBDLN COc1cc(/C=C2\C(=O)N(C)c3ccc(Cl)cc32)cc([N+](=O)[O-])c1O ZINC000799501727 724035963 /nfs/dbraw/zinc/03/59/63/724035963.db2.gz NGSWMLLLEJWTLH-XGICHPGQSA-N 0 2 360.753 3.479 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2(c3ccc(Br)s3)CCC2)no1 ZINC000842505328 730510666 /nfs/dbraw/zinc/51/06/66/730510666.db2.gz XUKFBRNPSMIDPU-HTQZYQBOSA-N 0 2 370.228 3.496 20 5 FGBDLN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1OC ZINC000573598313 505575558 /nfs/dbraw/zinc/57/55/58/505575558.db2.gz YODXNUXUMYQWEI-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000057786512 493797792 /nfs/dbraw/zinc/79/77/92/493797792.db2.gz DTOHGGWUQMHFCZ-UHFFFAOYSA-N 0 2 360.713 3.256 20 5 FGBDLN O=C(NCCc1ccccc1Br)c1ccc([N+](=O)[O-])c(O)c1 ZINC000061634560 493987299 /nfs/dbraw/zinc/98/72/99/493987299.db2.gz LSIVTOCRKWQINI-UHFFFAOYSA-N 0 2 365.183 3.035 20 5 FGBDLN CC[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000580244117 505711926 /nfs/dbraw/zinc/71/19/26/505711926.db2.gz VMYSJCTXUOZFOT-ZDUSSCGKSA-N 0 2 368.349 3.232 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1Cc1ccccn1 ZINC000089531441 494321712 /nfs/dbraw/zinc/32/17/12/494321712.db2.gz MIEKFEVWRLYTTC-UHFFFAOYSA-N 0 2 366.377 3.414 20 5 FGBDLN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066942113 494441771 /nfs/dbraw/zinc/44/17/71/494441771.db2.gz ILGCLNFGVVICHK-DLBZAZTESA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2cc(Br)ccc21 ZINC000066941221 494442339 /nfs/dbraw/zinc/44/23/39/494442339.db2.gz OZQXTEMVVSGCND-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN CSCCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000067899607 494687532 /nfs/dbraw/zinc/68/75/32/494687532.db2.gz VHGVCHMSOODPQT-UHFFFAOYSA-N 0 2 352.437 3.301 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000126448120 494754469 /nfs/dbraw/zinc/75/44/69/494754469.db2.gz ZVOLACAHDVZRHJ-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000132247627 494845759 /nfs/dbraw/zinc/84/57/59/494845759.db2.gz OVEHZOIKTCCCFA-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)cc2cccnc21 ZINC000132806520 494927470 /nfs/dbraw/zinc/92/74/70/494927470.db2.gz BTTJIOVMNKDDSQ-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000127329804 494928970 /nfs/dbraw/zinc/92/89/70/494928970.db2.gz DMOMWBMMGIRZTC-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000093930968 494936523 /nfs/dbraw/zinc/93/65/23/494936523.db2.gz XZVXNVATHPSCLS-UHFFFAOYSA-N 0 2 374.777 3.335 20 5 FGBDLN CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000117987669 494968831 /nfs/dbraw/zinc/96/88/31/494968831.db2.gz PXLRSEIENDWPBN-MRXNPFEDSA-N 0 2 355.394 3.344 20 5 FGBDLN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000119865911 495258141 /nfs/dbraw/zinc/25/81/41/495258141.db2.gz NXBISJMHKIVMEW-XJKSGUPXSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3nnco3)c2)c1C ZINC000135939358 495344649 /nfs/dbraw/zinc/34/46/49/495344649.db2.gz IJHPKNOTJYPTSR-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000179501350 495616467 /nfs/dbraw/zinc/61/64/67/495616467.db2.gz YVPQMQKKSCOKKE-MRXNPFEDSA-N 0 2 355.394 3.041 20 5 FGBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000186019649 495823923 /nfs/dbraw/zinc/82/39/23/495823923.db2.gz RTTJWKZUDWQCKE-UHFFFAOYSA-N 0 2 357.366 3.344 20 5 FGBDLN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183107049 495838114 /nfs/dbraw/zinc/83/81/14/495838114.db2.gz KGLWEKBZLSIRBE-UHFFFAOYSA-N 0 2 366.333 3.480 20 5 FGBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc2nn[nH]c2c1 ZINC000183116556 495841494 /nfs/dbraw/zinc/84/14/94/495841494.db2.gz NZLPMWLPQYRYLH-UHFFFAOYSA-N 0 2 363.786 3.250 20 5 FGBDLN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)CO1 ZINC000174346828 495921842 /nfs/dbraw/zinc/92/18/42/495921842.db2.gz IYUIPJZUNIDJSV-SCLBCKFNSA-N 0 2 356.378 3.211 20 5 FGBDLN CCc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)o1 ZINC000174767468 496098031 /nfs/dbraw/zinc/09/80/31/496098031.db2.gz DCSYUKAGONKIPG-UHFFFAOYSA-N 0 2 374.378 3.008 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1C ZINC000152307479 496111909 /nfs/dbraw/zinc/11/19/09/496111909.db2.gz VHZJPGNNEUHUMY-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN CCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000183918171 496159641 /nfs/dbraw/zinc/15/96/41/496159641.db2.gz VPNGZBFIMFABPE-UHFFFAOYSA-N 0 2 370.340 3.440 20 5 FGBDLN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184627768 496470383 /nfs/dbraw/zinc/47/03/83/496470383.db2.gz PNFDAVCYIVPTAS-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN Cc1cc(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184869417 496564571 /nfs/dbraw/zinc/56/45/71/496564571.db2.gz LOYRFODUNORMEE-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000163951738 496573105 /nfs/dbraw/zinc/57/31/05/496573105.db2.gz UZCJFEMGVDBWNT-MRXNPFEDSA-N 0 2 355.438 3.278 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000182085142 496664060 /nfs/dbraw/zinc/66/40/60/496664060.db2.gz OAESQKODRXYDJP-IAQYHMDHSA-N 0 2 362.407 3.090 20 5 FGBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000191807543 496895991 /nfs/dbraw/zinc/89/59/91/496895991.db2.gz QHQQDIFFINKNEG-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000274808825 497171874 /nfs/dbraw/zinc/17/18/74/497171874.db2.gz VCMKDQHQMRMKAQ-RDTXWAMCSA-N 0 2 374.368 3.432 20 5 FGBDLN CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CCO2)cc1 ZINC000190881907 497631253 /nfs/dbraw/zinc/63/12/53/497631253.db2.gz WBCQDVVRTIDGJS-GOSISDBHSA-N 0 2 356.378 3.077 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCN(c2cccc(F)c2)CC1 ZINC000364360240 497918383 /nfs/dbraw/zinc/91/83/83/497918383.db2.gz PYDXJGGASBZCPE-UHFFFAOYSA-N 0 2 373.384 3.181 20 5 FGBDLN Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C2CCCCC2)n1 ZINC000296707808 498162562 /nfs/dbraw/zinc/16/25/62/498162562.db2.gz LRUNRMVUSQDGFD-UHFFFAOYSA-N 0 2 364.427 3.177 20 5 FGBDLN CC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000286888229 498541643 /nfs/dbraw/zinc/54/16/43/498541643.db2.gz IWFGPKZLVNKLMX-CYBMUJFWSA-N 0 2 360.366 3.199 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)[C@@H]1C[C@H]1C ZINC000294228410 498626757 /nfs/dbraw/zinc/62/67/57/498626757.db2.gz RJDNROHZVIGYKD-PIGZYNQJSA-N 0 2 369.377 3.314 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000298034281 498644611 /nfs/dbraw/zinc/64/46/11/498644611.db2.gz DWGAZTCFTIQEAT-DOMZBBRYSA-N 0 2 362.407 3.090 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OC[C@@H]2CCCO2)c1 ZINC000299113763 498967871 /nfs/dbraw/zinc/96/78/71/498967871.db2.gz VSBICZYSDOYMNH-AWEZNQCLSA-N 0 2 372.377 3.419 20 5 FGBDLN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000373620955 499480388 /nfs/dbraw/zinc/48/03/88/499480388.db2.gz DVFIHDLZNICKHN-UHFFFAOYSA-N 0 2 356.313 3.092 20 5 FGBDLN CC(C)c1nccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000375383113 499512602 /nfs/dbraw/zinc/51/26/02/499512602.db2.gz ZSLMCPHIGMTSKV-UHFFFAOYSA-N 0 2 370.409 3.234 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000375821663 499559221 /nfs/dbraw/zinc/55/92/21/499559221.db2.gz BTGPBYIENPXVCU-CYBMUJFWSA-N 0 2 358.316 3.495 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000410335684 499655780 /nfs/dbraw/zinc/65/57/80/499655780.db2.gz VRFIAGXYXZOXFI-UHFFFAOYSA-N 0 2 362.407 3.418 20 5 FGBDLN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000430095329 500191488 /nfs/dbraw/zinc/19/14/88/500191488.db2.gz MXZAGXQDRLAIMC-UHFFFAOYSA-N 0 2 371.271 3.365 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000582321228 506186237 /nfs/dbraw/zinc/18/62/37/506186237.db2.gz IRWAWAKLBGCWBO-ADLMAVQZSA-N 0 2 369.377 3.314 20 5 FGBDLN Cc1ccc(-n2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cn2)c(C)c1 ZINC000442229395 500573126 /nfs/dbraw/zinc/57/31/26/500573126.db2.gz LODDHRVJSYASMS-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436947373 500576494 /nfs/dbraw/zinc/57/64/94/500576494.db2.gz LZWOQLVPQVELCU-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000447227345 500578275 /nfs/dbraw/zinc/57/82/75/500578275.db2.gz QOVFPBSFTHIWRY-UHFFFAOYSA-N 0 2 373.319 3.229 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(-c2ccncc2)cs1 ZINC000436972614 500583496 /nfs/dbraw/zinc/58/34/96/500583496.db2.gz OXTRYJJNRAQDHB-SNVBAGLBSA-N 0 2 370.390 3.310 20 5 FGBDLN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436973893 500583584 /nfs/dbraw/zinc/58/35/84/500583584.db2.gz VGQDGBAGRUPBDA-AEFFLSMTSA-N 0 2 356.378 3.259 20 5 FGBDLN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436982269 500586414 /nfs/dbraw/zinc/58/64/14/500586414.db2.gz SUBFMYZCEVKHBZ-UHFFFAOYSA-N 0 2 372.377 3.437 20 5 FGBDLN O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436991719 500588003 /nfs/dbraw/zinc/58/80/03/500588003.db2.gz YWVUMNNTQVVUPB-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN O=C(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000447717327 500651707 /nfs/dbraw/zinc/65/17/07/500651707.db2.gz WQQUBQMJTBCVPZ-CYBMUJFWSA-N 0 2 358.247 3.315 20 5 FGBDLN CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436602739 501167748 /nfs/dbraw/zinc/16/77/48/501167748.db2.gz GINOGXDZOBTLTM-NSHDSACASA-N 0 2 360.366 3.199 20 5 FGBDLN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@H](OCC)C1(C)C ZINC000436668713 501183385 /nfs/dbraw/zinc/18/33/85/501183385.db2.gz DZBIXHQLPFIZES-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)c(C)c1OC ZINC000436743451 501202413 /nfs/dbraw/zinc/20/24/13/501202413.db2.gz YFLIZCNMINFXLW-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436795838 501212597 /nfs/dbraw/zinc/21/25/97/501212597.db2.gz RSQUSNCHBWCBIV-KRWDZBQOSA-N 0 2 356.378 3.459 20 5 FGBDLN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C(F)F ZINC000436900214 501229626 /nfs/dbraw/zinc/22/96/26/501229626.db2.gz MPTPXCAJTBOIEO-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN CC(C)(NC(=O)N=c1ncn(C2CCCCC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000454227789 501486403 /nfs/dbraw/zinc/48/64/03/501486403.db2.gz NANZIMICYIHFBV-UHFFFAOYSA-N 0 2 372.429 3.170 20 5 FGBDLN Cc1c2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])sc2ccc1F ZINC000464910607 502142260 /nfs/dbraw/zinc/14/22/60/502142260.db2.gz HEPGWHMDKGSXDS-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000475459048 502178030 /nfs/dbraw/zinc/17/80/30/502178030.db2.gz AXYGQBPVJNDIPR-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN COc1ccc(-c2ocnc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000486806878 502268469 /nfs/dbraw/zinc/26/84/69/502268469.db2.gz BMBBWIXAYMOORU-UHFFFAOYSA-N 0 2 355.306 3.216 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000479571653 502301680 /nfs/dbraw/zinc/30/16/80/502301680.db2.gz VDUIREUYZRAARQ-UHFFFAOYSA-N 0 2 360.388 3.222 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnc(CC(C)C)nc2)c1[N+](=O)[O-] ZINC000475828818 502303646 /nfs/dbraw/zinc/30/36/46/502303646.db2.gz LPVDEXVOLJJZOP-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000469654218 502492392 /nfs/dbraw/zinc/49/23/92/502492392.db2.gz DZILHXIBCSMUIQ-HNNXBMFYSA-N 0 2 355.394 3.041 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC2CC2)cc1 ZINC000480235290 502508983 /nfs/dbraw/zinc/50/89/83/502508983.db2.gz YOEHGYSFFBASEC-UHFFFAOYSA-N 0 2 366.370 3.324 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000484459322 502645621 /nfs/dbraw/zinc/64/56/21/502645621.db2.gz OWTUTHZQAMHRMH-UHFFFAOYSA-N 0 2 366.443 3.399 20 5 FGBDLN O=C(NCCc1ccccc1Br)c1cc(O)ccc1[N+](=O)[O-] ZINC000509815745 502991418 /nfs/dbraw/zinc/99/14/18/502991418.db2.gz ZCBPNSIPRFVLQP-UHFFFAOYSA-N 0 2 365.183 3.035 20 5 FGBDLN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000509841577 502995757 /nfs/dbraw/zinc/99/57/57/502995757.db2.gz WCLXQLJKXBUKMI-HNNXBMFYSA-N 0 2 373.384 3.147 20 5 FGBDLN CC(C)Cn1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000588854151 506359877 /nfs/dbraw/zinc/35/98/77/506359877.db2.gz CQAQRGCDCVNPOB-UHFFFAOYSA-N 0 2 364.427 3.126 20 5 FGBDLN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507147982 503239674 /nfs/dbraw/zinc/23/96/74/503239674.db2.gz ZOGLWOPDOBEFOZ-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN CCNc1ccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1[N+](=O)[O-] ZINC000511166616 503272531 /nfs/dbraw/zinc/27/25/31/503272531.db2.gz BRVIVZWYKQMATD-UHFFFAOYSA-N 0 2 369.406 3.219 20 5 FGBDLN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000515243864 503300350 /nfs/dbraw/zinc/30/03/50/503300350.db2.gz FHRCJTAQXMKBAF-UHFFFAOYSA-N 0 2 373.756 3.051 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000540497404 503793087 /nfs/dbraw/zinc/79/30/87/503793087.db2.gz OTLHZNSZEALASO-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1cccc(O)c1[N+](=O)[O-] ZINC000540561915 503818080 /nfs/dbraw/zinc/81/80/80/503818080.db2.gz DFYMBRVMRQNFOV-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c([N+](=O)[O-])c1 ZINC000537154437 503819758 /nfs/dbraw/zinc/81/97/58/503819758.db2.gz MOVCYHZCFLXGJA-UHFFFAOYSA-N 0 2 373.390 3.399 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ncccc12 ZINC000546727280 503854617 /nfs/dbraw/zinc/85/46/17/503854617.db2.gz VXSOMYIEJFRISH-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000537966759 504098526 /nfs/dbraw/zinc/09/85/26/504098526.db2.gz CWTWYJJHMQWNGM-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000538010472 504112737 /nfs/dbraw/zinc/11/27/37/504112737.db2.gz DNMZDYDMVALFSJ-UHFFFAOYSA-N 0 2 366.443 3.407 20 5 FGBDLN COCCc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000538870551 504399843 /nfs/dbraw/zinc/39/98/43/504399843.db2.gz MTELMYUOSJHNDR-UHFFFAOYSA-N 0 2 374.393 3.287 20 5 FGBDLN CC(=O)c1cccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000536312963 504695426 /nfs/dbraw/zinc/69/54/26/504695426.db2.gz ZYVUDYIYLIJLLQ-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN O=C([O-])c1cc(NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000549205761 504723324 /nfs/dbraw/zinc/72/33/24/504723324.db2.gz BUHORHDQFLFPQI-UHFFFAOYSA-N 0 2 352.350 3.150 20 5 FGBDLN CSc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1[N+](=O)[O-] ZINC000560719169 505169067 /nfs/dbraw/zinc/16/90/67/505169067.db2.gz QWEPOAZWWPXHGV-UHFFFAOYSA-N 0 2 371.378 3.060 20 5 FGBDLN O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cccc(O)c1[N+](=O)[O-] ZINC000564436231 505419541 /nfs/dbraw/zinc/41/95/41/505419541.db2.gz OEKUSDIEGHPVER-UHFFFAOYSA-N 0 2 357.341 3.283 20 5 FGBDLN CC(C)Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C1CC1 ZINC000582807741 506430640 /nfs/dbraw/zinc/43/06/40/506430640.db2.gz LCWUWQNBFGXDCX-UHFFFAOYSA-N 0 2 364.427 3.126 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000599714082 506598821 /nfs/dbraw/zinc/59/88/21/506598821.db2.gz QXWSWMRBHMWNBQ-SECBINFHSA-N 0 2 370.287 3.032 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1C[C@H]1CCCOC1 ZINC000599751780 506617036 /nfs/dbraw/zinc/61/70/36/506617036.db2.gz ZJVHNJXBQDBXFC-CQSZACIVSA-N 0 2 373.409 3.398 20 5 FGBDLN Cc1ccc(Oc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)nn1 ZINC000612547861 506619263 /nfs/dbraw/zinc/61/92/63/506619263.db2.gz PRNDUTOSKBPQOC-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000608875654 506733578 /nfs/dbraw/zinc/73/35/78/506733578.db2.gz QFLPTSBXDNRKBD-GFCCVEGCSA-N 0 2 350.396 3.411 20 5 FGBDLN C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734159 506752443 /nfs/dbraw/zinc/75/24/43/506752443.db2.gz XAGVXCHVXUAOTO-UGSOOPFHSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734159 506752449 /nfs/dbraw/zinc/75/24/49/506752449.db2.gz XAGVXCHVXUAOTO-UGSOOPFHSA-N 0 2 356.378 3.255 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc([C@H]3CCOC3)cc2)c([N+](=O)[O-])s1 ZINC000601975901 507535378 /nfs/dbraw/zinc/53/53/78/507535378.db2.gz AHBCLHOHFJCZJH-LBPRGKRZSA-N 0 2 368.436 3.269 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598711033 507562668 /nfs/dbraw/zinc/56/26/68/507562668.db2.gz DHQVTLOFZFYWFZ-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN COc1cccc(CC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000586806810 507679308 /nfs/dbraw/zinc/67/93/08/507679308.db2.gz FDPIYIAQAZFJFF-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN Cc1nc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2s1 ZINC000120101670 700648137 /nfs/dbraw/zinc/64/81/37/700648137.db2.gz KTMCROKMXSUYJD-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(F)cc2O)c1 ZINC000783839722 724795025 /nfs/dbraw/zinc/79/50/25/724795025.db2.gz PXOPCQSBESNAEC-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000736418304 722523232 /nfs/dbraw/zinc/52/32/32/722523232.db2.gz DZOSGZXJZABYHD-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000753701856 722909997 /nfs/dbraw/zinc/90/99/97/722909997.db2.gz IETFHLUBVCDLEM-VIFPVBQESA-N 0 2 363.351 3.328 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(Br)ncc1Cl ZINC000754676324 722944218 /nfs/dbraw/zinc/94/42/18/722944218.db2.gz KBFOQCHYLDERJS-UHFFFAOYSA-N 0 2 372.562 3.364 20 5 FGBDLN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)c(O)c(F)c1 ZINC000759545285 723008103 /nfs/dbraw/zinc/00/81/03/723008103.db2.gz HZIKDTZATPTPPA-UHFFFAOYSA-N 0 2 353.277 3.205 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c(F)c1 ZINC000790638205 723161822 /nfs/dbraw/zinc/16/18/22/723161822.db2.gz KUQGHMGTFVGPFV-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC(C)(C)OC(=O)N1CCCCC[C@@H]1c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000841741468 730269936 /nfs/dbraw/zinc/26/99/36/730269936.db2.gz YURMDFMUISZZIE-IJLUTSLNSA-N 0 2 352.391 3.054 20 5 FGBDLN COc1cc(C)c(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000849311026 731245896 /nfs/dbraw/zinc/24/58/96/731245896.db2.gz ZIOQFRUGJXDMRY-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C(=O)[O-])C1 ZINC000902016697 743699009 /nfs/dbraw/zinc/69/90/09/743699009.db2.gz LWSASHKVGZXKAN-IAQYHMDHSA-N 0 2 361.423 3.403 20 5 FGBDLN C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C(=O)[O-])C1 ZINC000902016697 743699012 /nfs/dbraw/zinc/69/90/12/743699012.db2.gz LWSASHKVGZXKAN-IAQYHMDHSA-N 0 2 361.423 3.403 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1(c2cccc(Cl)c2)CC(=O)C1 ZINC000567973633 505586846 /nfs/dbraw/zinc/58/68/46/505586846.db2.gz PPHRHIQLIZRGTB-UHFFFAOYSA-N 0 2 360.753 3.193 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000030693421 493904284 /nfs/dbraw/zinc/90/42/84/493904284.db2.gz PDGPGZQMHAGSJR-ZDUSSCGKSA-N 0 2 367.361 3.461 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1OC ZINC000060436844 493933105 /nfs/dbraw/zinc/93/31/05/493933105.db2.gz LXUDBEMWGJTOGT-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(NCc1cc(Br)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077275152 494045988 /nfs/dbraw/zinc/04/59/88/494045988.db2.gz JPAKBOHUYFJFBE-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccccc1 ZINC000089540832 494321889 /nfs/dbraw/zinc/32/18/89/494321889.db2.gz XEWICIWAMYMEER-UHFFFAOYSA-N 0 2 352.350 3.301 20 5 FGBDLN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531244 494321933 /nfs/dbraw/zinc/32/19/33/494321933.db2.gz NXLRMEYFLGYKHA-UHFFFAOYSA-N 0 2 360.414 3.341 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000055584633 494366704 /nfs/dbraw/zinc/36/67/04/494366704.db2.gz AKYNNTLMGFVFMC-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000055590369 494368891 /nfs/dbraw/zinc/36/88/91/494368891.db2.gz QJQHPDIWLLRMCB-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000023465037 494567867 /nfs/dbraw/zinc/56/78/67/494567867.db2.gz NWMQTHAGQPYPCU-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN O=C(CCc1ccc(OC(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546425 494664823 /nfs/dbraw/zinc/66/48/23/494664823.db2.gz ZRSYGIZWUDWLGR-UHFFFAOYSA-N 0 2 352.293 3.473 20 5 FGBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccccc1Cl ZINC000075161731 494699799 /nfs/dbraw/zinc/69/97/99/494699799.db2.gz KFCCKVHOJWRDHT-JTQLQIEISA-N 0 2 350.758 3.151 20 5 FGBDLN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000121321803 494700484 /nfs/dbraw/zinc/70/04/84/494700484.db2.gz ABYBIYGXXBVEEL-UHFFFAOYSA-N 0 2 370.283 3.128 20 5 FGBDLN COc1ccc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000047521678 494726934 /nfs/dbraw/zinc/72/69/34/494726934.db2.gz CNNZCIVZYHEDHW-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C2CCCC2)n[nH]1 ZINC000126828350 494845764 /nfs/dbraw/zinc/84/57/64/494845764.db2.gz WQYZUCGTNCCGJB-UHFFFAOYSA-N 0 2 350.400 3.085 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)Cc3cccc(F)c3)sc2c1 ZINC000571500097 505748056 /nfs/dbraw/zinc/74/80/56/505748056.db2.gz CZRSOOXGWKPPDU-UHFFFAOYSA-N 0 2 367.383 3.286 20 5 FGBDLN Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000122468786 494980454 /nfs/dbraw/zinc/98/04/54/494980454.db2.gz LBGOXUSTNAXCPH-UHFFFAOYSA-N 0 2 355.441 3.359 20 5 FGBDLN O=C(NCCOc1cccc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000130853360 495455990 /nfs/dbraw/zinc/45/59/90/495455990.db2.gz VROWNFZTHWPMIN-UHFFFAOYSA-N 0 2 352.346 3.262 20 5 FGBDLN CN(CCOc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000139007293 495472194 /nfs/dbraw/zinc/47/21/94/495472194.db2.gz WLSXXGCUDVJRJL-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000179480756 495607952 /nfs/dbraw/zinc/60/79/52/495607952.db2.gz MFTUPPQGXHLZTL-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCCF)c2)c(Cl)c1 ZINC000161177994 496120515 /nfs/dbraw/zinc/12/05/15/496120515.db2.gz VLNJQOWOMGUTRR-UHFFFAOYSA-N 0 2 374.777 3.397 20 5 FGBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1Cc1ccccc1 ZINC000155985168 496125315 /nfs/dbraw/zinc/12/53/15/496125315.db2.gz UJUJCNSEGCQOBZ-UHFFFAOYSA-N 0 2 352.350 3.106 20 5 FGBDLN COc1ccc(N2CC(=O)C(C(=O)Nc3cc([N+](=O)[O-])ccc3C)=N2)cc1 ZINC000180881095 496183569 /nfs/dbraw/zinc/18/35/69/496183569.db2.gz KHYBRJLMZDPZNC-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nn1-c1cccc(F)c1 ZINC000180958648 496218628 /nfs/dbraw/zinc/21/86/28/496218628.db2.gz XBJADETYRKBSNT-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000152694157 496228529 /nfs/dbraw/zinc/22/85/29/496228529.db2.gz YTIVOWSEUAAUAM-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(NCCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000172295052 496243514 /nfs/dbraw/zinc/24/35/14/496243514.db2.gz GPUXHDPULRRZQM-UHFFFAOYSA-N 0 2 365.183 3.035 20 5 FGBDLN CCc1ncsc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000162032046 496282878 /nfs/dbraw/zinc/28/28/78/496282878.db2.gz FDKKIQJFGGHMOU-UHFFFAOYSA-N 0 2 361.832 3.376 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000164171580 496592645 /nfs/dbraw/zinc/59/26/45/496592645.db2.gz CAIPUZAIZYQAKB-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000182126100 496679166 /nfs/dbraw/zinc/67/91/66/496679166.db2.gz NZFUOXVLPPBSPC-UHFFFAOYSA-N 0 2 366.377 3.197 20 5 FGBDLN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1cc([N+](=O)[O-])ccc1O ZINC000182172796 496697137 /nfs/dbraw/zinc/69/71/37/496697137.db2.gz ZJWORLUJBBTTMB-GOSISDBHSA-N 0 2 367.336 3.354 20 5 FGBDLN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273207629 496739892 /nfs/dbraw/zinc/73/98/92/496739892.db2.gz LAISLPLQNWSRGH-INIZCTEOSA-N 0 2 366.377 3.164 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1F ZINC000188579710 496839926 /nfs/dbraw/zinc/83/99/26/496839926.db2.gz IPYWTUJHUUTEOO-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000191775896 496885603 /nfs/dbraw/zinc/88/56/03/496885603.db2.gz BIOFTEFDQRIGIF-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN O=C(NCc1sccc1Br)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315997 496997004 /nfs/dbraw/zinc/99/70/04/496997004.db2.gz NXPRFEUBFRCBAB-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc12 ZINC000189319242 497079862 /nfs/dbraw/zinc/07/98/62/497079862.db2.gz XGSGIGBUOKAGJL-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1[nH]nc2cc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc12 ZINC000189319242 497079868 /nfs/dbraw/zinc/07/98/68/497079868.db2.gz XGSGIGBUOKAGJL-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000192549963 497147476 /nfs/dbraw/zinc/14/74/76/497147476.db2.gz GCXSBFWEWHSEBQ-UHFFFAOYSA-N 0 2 371.393 3.342 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000274808815 497170938 /nfs/dbraw/zinc/17/09/38/497170938.db2.gz VCMKDQHQMRMKAQ-KBXCAEBGSA-N 0 2 374.368 3.432 20 5 FGBDLN COc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000194218622 497604244 /nfs/dbraw/zinc/60/42/44/497604244.db2.gz ZVUIWQKKRCPLNV-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280900003 497941983 /nfs/dbraw/zinc/94/19/83/497941983.db2.gz DRDALTYFONPYMI-CYBMUJFWSA-N 0 2 356.378 3.159 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282493105 498533877 /nfs/dbraw/zinc/53/38/77/498533877.db2.gz MSLAAVOXLDFVNE-ZDUSSCGKSA-N 0 2 358.316 3.495 20 5 FGBDLN CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000282819438 498666931 /nfs/dbraw/zinc/66/69/31/498666931.db2.gz UBHHEJDUARVSJU-JTQLQIEISA-N 0 2 358.276 3.020 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000367618670 499218549 /nfs/dbraw/zinc/21/85/49/499218549.db2.gz UBPKCERRDGKGQS-LBPRGKRZSA-N 0 2 368.798 3.229 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c(C)cc1[N+](=O)[O-] ZINC000414445179 499793025 /nfs/dbraw/zinc/79/30/25/499793025.db2.gz RUBSXCJZQFTMES-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412735173 499880628 /nfs/dbraw/zinc/88/06/28/499880628.db2.gz HTVHXNJHQMFCBP-GOSISDBHSA-N 0 2 368.389 3.294 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413961568 500109167 /nfs/dbraw/zinc/10/91/67/500109167.db2.gz WYPFPJYJMSYGOU-GOSISDBHSA-N 0 2 368.389 3.294 20 5 FGBDLN COC(=O)c1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1OC(C)C ZINC000427019407 500345362 /nfs/dbraw/zinc/34/53/62/500345362.db2.gz LDNYVXJLKAFZPH-UHFFFAOYSA-N 0 2 374.349 3.127 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1Cl ZINC000432639546 500542487 /nfs/dbraw/zinc/54/24/87/500542487.db2.gz YYXQHIHFHFHLKA-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CN(Cc1cc(Br)cs1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436950817 500577673 /nfs/dbraw/zinc/57/76/73/500577673.db2.gz DFGFPQDICGSYHM-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN O=C(NCc1ccc(Oc2ccccc2)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000436961071 500580059 /nfs/dbraw/zinc/58/00/59/500580059.db2.gz ABTKBRGELKDOEV-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN COc1ccc(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1 ZINC000436966217 500581662 /nfs/dbraw/zinc/58/16/62/500581662.db2.gz LNNCADUXTKKQQH-OAHLLOKOSA-N 0 2 370.405 3.404 20 5 FGBDLN C[C@@H]1CCCN(c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccn2)C1 ZINC000436705174 501192147 /nfs/dbraw/zinc/19/21/47/501192147.db2.gz OGFDIMOBWCNWKI-GFCCVEGCSA-N 0 2 356.382 3.184 20 5 FGBDLN CCOc1cc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OC ZINC000436869479 501224582 /nfs/dbraw/zinc/22/45/82/501224582.db2.gz DLGPXKKHHDEORR-UHFFFAOYSA-N 0 2 374.393 3.070 20 5 FGBDLN CCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C1CC1 ZINC000451091040 501244825 /nfs/dbraw/zinc/24/48/25/501244825.db2.gz IMRHRJAANINFJN-UHFFFAOYSA-N 0 2 364.427 3.188 20 5 FGBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(C(F)(F)F)CCCC1 ZINC000599502619 506475437 /nfs/dbraw/zinc/47/54/37/506475437.db2.gz BATYYNVEVQBEGB-UHFFFAOYSA-N 0 2 370.324 3.135 20 5 FGBDLN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000467499171 501809093 /nfs/dbraw/zinc/80/90/93/501809093.db2.gz BQAZNKRIDJOOIP-UHFFFAOYSA-N 0 2 354.366 3.384 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000474425253 501831255 /nfs/dbraw/zinc/83/12/55/501831255.db2.gz GXHFSVZKMXIYSZ-UHFFFAOYSA-N 0 2 364.427 3.475 20 5 FGBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000468073935 501947895 /nfs/dbraw/zinc/94/78/95/501947895.db2.gz FCRLXPZBAAFVRC-UHFFFAOYSA-N 0 2 374.740 3.152 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)cc1C ZINC000478704901 502063719 /nfs/dbraw/zinc/06/37/19/502063719.db2.gz OWPFSGCHXQRUST-UHFFFAOYSA-N 0 2 356.425 3.391 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000486568013 502192089 /nfs/dbraw/zinc/19/20/89/502192089.db2.gz YWNJHHUXBYOBHQ-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000469510523 502445769 /nfs/dbraw/zinc/44/57/69/502445769.db2.gz NFDKDFSKSPVRLA-UHFFFAOYSA-N 0 2 358.350 3.463 20 5 FGBDLN Cc1cc(C)n(-c2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)n1 ZINC000469512286 502447628 /nfs/dbraw/zinc/44/76/28/502447628.db2.gz PFCNCWTULDVSDU-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000480220392 502505697 /nfs/dbraw/zinc/50/56/97/502505697.db2.gz QXQQMIMJOCYQBJ-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000480239335 502510666 /nfs/dbraw/zinc/51/06/66/502510666.db2.gz FAPAQNHFTTUIET-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN CC(C)(C)[NH+]=c1[n-]nc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCO1 ZINC000463097735 502692903 /nfs/dbraw/zinc/69/29/03/502692903.db2.gz XDPNVDMEFLSACD-HNNXBMFYSA-N 0 2 359.430 3.055 20 5 FGBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000510095776 503048373 /nfs/dbraw/zinc/04/83/73/503048373.db2.gz RRDGELXRMMRIDN-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000499069142 503326574 /nfs/dbraw/zinc/32/65/74/503326574.db2.gz UJQSTIGXIIJLFH-JTQLQIEISA-N 0 2 363.395 3.212 20 5 FGBDLN O=C(Nc1ccc(Br)cc1F)c1cccc(O)c1[N+](=O)[O-] ZINC000507904975 503392491 /nfs/dbraw/zinc/39/24/91/503392491.db2.gz LTUBAEZOJKHGEG-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000503976907 503503240 /nfs/dbraw/zinc/50/32/40/503503240.db2.gz JTQSJYRYLBSBRU-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCN(CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)Cc1ccccc1Cl ZINC000504243710 503542518 /nfs/dbraw/zinc/54/25/18/503542518.db2.gz KGOGVOTWSDVGJK-UHFFFAOYSA-N 0 2 363.801 3.414 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)c(F)c1 ZINC000546175214 503655576 /nfs/dbraw/zinc/65/55/76/503655576.db2.gz OEGDTGXCAOWUTE-UHFFFAOYSA-N 0 2 370.324 3.277 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000543859783 503919066 /nfs/dbraw/zinc/91/90/66/503919066.db2.gz ZXLZFOYFNJKATM-UHFFFAOYSA-N 0 2 367.814 3.323 20 5 FGBDLN O=C(Nc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1)c1ccco1 ZINC000537965970 504098804 /nfs/dbraw/zinc/09/88/04/504098804.db2.gz OQZDBFDZBSQMCM-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CSC ZINC000544727153 504236407 /nfs/dbraw/zinc/23/64/07/504236407.db2.gz BCRUJPVRQFASLL-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN CC(C)c1cccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000538452863 504250436 /nfs/dbraw/zinc/25/04/36/504250436.db2.gz HBLINUVPZVCVFP-UHFFFAOYSA-N 0 2 371.418 3.489 20 5 FGBDLN COc1cc(OC)c(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1Cl ZINC000538833104 504385198 /nfs/dbraw/zinc/38/51/98/504385198.db2.gz IMIKEXLCZANWOC-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(F)cc1F ZINC000536192049 504661574 /nfs/dbraw/zinc/66/15/74/504661574.db2.gz LRIONJOTNPNXAL-UHFFFAOYSA-N 0 2 374.303 3.325 20 5 FGBDLN CC(=O)c1cc(NCc2nnc(COc3ccccc3)[nH]2)ccc1[N+](=O)[O-] ZINC000553502373 504933797 /nfs/dbraw/zinc/93/37/97/504933797.db2.gz SWBLTMZZRKOTLN-UHFFFAOYSA-N 0 2 367.365 3.107 20 5 FGBDLN CC1(C)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1OCc1ccccc1 ZINC000560647042 505152610 /nfs/dbraw/zinc/15/26/10/505152610.db2.gz SCVVPXRPOARJTG-QZTJIDSGSA-N 0 2 370.405 3.414 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000552800684 505557068 /nfs/dbraw/zinc/55/70/68/505557068.db2.gz HQSSQYGIVZQSSV-KRWDZBQOSA-N 0 2 366.295 3.290 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)c1 ZINC000612600153 506645301 /nfs/dbraw/zinc/64/53/01/506645301.db2.gz LELAPLDNOQFFAL-UHFFFAOYSA-N 0 2 352.416 3.033 20 5 FGBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000600226534 506858311 /nfs/dbraw/zinc/85/83/11/506858311.db2.gz GDFOBNFFHKGONP-UHFFFAOYSA-N 0 2 352.803 3.134 20 5 FGBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000600227344 506860044 /nfs/dbraw/zinc/86/00/44/506860044.db2.gz GYHXCWXMHLJDIX-VIFPVBQESA-N 0 2 364.452 3.039 20 5 FGBDLN CCCOc1cncc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000600670058 507057136 /nfs/dbraw/zinc/05/71/36/507057136.db2.gz KQSZCTBWEVPGPS-UHFFFAOYSA-N 0 2 365.411 3.196 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000598197064 507306938 /nfs/dbraw/zinc/30/69/38/507306938.db2.gz LYEITMDVWDCNGM-AWEZNQCLSA-N 0 2 360.341 3.425 20 5 FGBDLN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000598394580 507405673 /nfs/dbraw/zinc/40/56/73/507405673.db2.gz NUNMYRYRMGEZCX-UHFFFAOYSA-N 0 2 366.414 3.130 20 5 FGBDLN Cc1noc(C[N@H+]2CCC[C@H](c3nc(C4CCCCC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595422797 507489610 /nfs/dbraw/zinc/48/96/10/507489610.db2.gz ONYYNLUOARQWMR-AWEZNQCLSA-N 0 2 374.445 3.437 20 5 FGBDLN O=C(c1ccc(O)cc1)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611253578 507581787 /nfs/dbraw/zinc/58/17/87/507581787.db2.gz UNKSPMWOXZKXRR-UHFFFAOYSA-N 0 2 356.378 3.101 20 5 FGBDLN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000611278360 507601142 /nfs/dbraw/zinc/60/11/42/507601142.db2.gz KTKPHGPZFKMGOV-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1[N+](=O)[O-] ZINC000025741589 695677628 /nfs/dbraw/zinc/67/76/28/695677628.db2.gz PKMJTHQUDVKDPS-UHFFFAOYSA-N 0 2 368.223 3.346 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000127332641 700760046 /nfs/dbraw/zinc/76/00/46/700760046.db2.gz SBQJSQNOVTTWMA-UHFFFAOYSA-N 0 2 361.832 3.458 20 5 FGBDLN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cc(O)ccc1[N+](=O)[O-] ZINC000794894957 723550735 /nfs/dbraw/zinc/55/07/35/723550735.db2.gz BEKVLCNLEYNACW-UHFFFAOYSA-N 0 2 364.741 3.367 20 5 FGBDLN O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000788304062 725056810 /nfs/dbraw/zinc/05/68/10/725056810.db2.gz YWBCTWGAGJVGBL-CQSZACIVSA-N 0 2 371.176 3.071 20 5 FGBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000048012071 493773014 /nfs/dbraw/zinc/77/30/14/493773014.db2.gz CICAXINQWBQCNP-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000007054253 493996702 /nfs/dbraw/zinc/99/67/02/493996702.db2.gz GVYNNZKJIBUDBT-UHFFFAOYSA-N 0 2 362.285 3.120 20 5 FGBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000574171872 505710925 /nfs/dbraw/zinc/71/09/25/505710925.db2.gz GAVPCPMVRMAUSQ-UHFFFAOYSA-N 0 2 371.393 3.105 20 5 FGBDLN COCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055595123 494369851 /nfs/dbraw/zinc/36/98/51/494369851.db2.gz SMCIIEOIXQFMLT-UHFFFAOYSA-N 0 2 356.787 3.195 20 5 FGBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1cccc(Cl)c1 ZINC000075161541 494698819 /nfs/dbraw/zinc/69/88/19/494698819.db2.gz VUFXPPUXTGHDMH-SNVBAGLBSA-N 0 2 350.758 3.151 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000127295290 494923862 /nfs/dbraw/zinc/92/38/62/494923862.db2.gz VUTHIYIBWWJSBZ-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2cc(C)cc3cccnc32)ccc1[N+](=O)[O-] ZINC000132788578 494924562 /nfs/dbraw/zinc/92/45/62/494924562.db2.gz SVSWKFLSVNJJRD-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000097152130 495025828 /nfs/dbraw/zinc/02/58/28/495025828.db2.gz YZKVYCKYZPWCPK-NSHDSACASA-N 0 2 357.366 3.081 20 5 FGBDLN CC(=O)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)C1CC1 ZINC000128129109 495049954 /nfs/dbraw/zinc/04/99/54/495049954.db2.gz KHKVSXYYUIPAMV-UHFFFAOYSA-N 0 2 369.377 3.064 20 5 FGBDLN Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000098129792 495060132 /nfs/dbraw/zinc/06/01/32/495060132.db2.gz JFFLQMWHVBZRIJ-UHFFFAOYSA-N 0 2 367.452 3.366 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000119029921 495074377 /nfs/dbraw/zinc/07/43/77/495074377.db2.gz QTJUVBBMQLZVIN-UHFFFAOYSA-N 0 2 364.351 3.367 20 5 FGBDLN O=C(Nc1cc(Br)ccc1O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119382245 495155495 /nfs/dbraw/zinc/15/54/95/495155495.db2.gz MFFHMPJWGFGWIW-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccncc3)o2)cc1 ZINC000125485975 495451717 /nfs/dbraw/zinc/45/17/17/495451717.db2.gz USOWZJCNNKOQIK-MRXNPFEDSA-N 0 2 351.366 3.377 20 5 FGBDLN Cc1cccc(C(=O)N[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C(C)C)c1 ZINC000120875048 495475549 /nfs/dbraw/zinc/47/55/49/495475549.db2.gz KIVPHBJBCATQLI-KRWDZBQOSA-N 0 2 371.393 3.002 20 5 FGBDLN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C(C)C)cc1 ZINC000120886759 495477763 /nfs/dbraw/zinc/47/77/63/495477763.db2.gz PGUWMHXDQAMXNR-QGZVFWFLSA-N 0 2 371.393 3.002 20 5 FGBDLN Cc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC000121002293 495500988 /nfs/dbraw/zinc/50/09/88/495500988.db2.gz AYZWSESDPDSTTA-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000176600229 495715831 /nfs/dbraw/zinc/71/58/31/495715831.db2.gz FPYYXHCSBQCGDK-UHFFFAOYSA-N 0 2 370.456 3.107 20 5 FGBDLN CCc1noc(-c2ccc(C)c(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)n1 ZINC000183066611 495820968 /nfs/dbraw/zinc/82/09/68/495820968.db2.gz UEDVMMQFCRZIBF-UHFFFAOYSA-N 0 2 368.349 3.474 20 5 FGBDLN COCc1cccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000183129555 495846430 /nfs/dbraw/zinc/84/64/30/495846430.db2.gz BBFGGCYQXQVXFE-UHFFFAOYSA-N 0 2 373.390 3.090 20 5 FGBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccsc1 ZINC000174252840 495883668 /nfs/dbraw/zinc/88/36/68/495883668.db2.gz HHJGGVAQDWIIMT-UHFFFAOYSA-N 0 2 363.214 3.220 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nccc3sccc32)cc1[N+](=O)[O-] ZINC000160912449 496066624 /nfs/dbraw/zinc/06/66/24/496066624.db2.gz MDMQBWXRSBLUOG-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000174732316 496080541 /nfs/dbraw/zinc/08/05/41/496080541.db2.gz PFNQIUUKHYUCAU-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN CCn1cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180769071 496139058 /nfs/dbraw/zinc/13/90/58/496139058.db2.gz NZKZDTJGJRZVLM-UHFFFAOYSA-N 0 2 354.160 3.137 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000183897015 496151907 /nfs/dbraw/zinc/15/19/07/496151907.db2.gz YKBRGASTBDELOE-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN COCc1cccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000161556234 496197359 /nfs/dbraw/zinc/19/73/59/496197359.db2.gz VTJDPWKEODKZDO-UHFFFAOYSA-N 0 2 350.396 3.159 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000175017310 496210133 /nfs/dbraw/zinc/21/01/33/496210133.db2.gz XZSRYADQVZAGSY-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000187156185 496317377 /nfs/dbraw/zinc/31/73/77/496317377.db2.gz YHVOJDYQXVIYBN-APPDUMDISA-N 0 2 360.341 3.042 20 5 FGBDLN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cs1 ZINC000187353943 496405841 /nfs/dbraw/zinc/40/58/41/496405841.db2.gz BGUUBESCSNDCSE-JTQLQIEISA-N 0 2 365.411 3.127 20 5 FGBDLN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000184569238 496443930 /nfs/dbraw/zinc/44/39/30/496443930.db2.gz ZXPSNIRLEUCFIB-UHFFFAOYSA-N 0 2 355.276 3.252 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nccc(-c2ccccc2)n1 ZINC000163219512 496483564 /nfs/dbraw/zinc/48/35/64/496483564.db2.gz NUDVRAFVKFLYII-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184834999 496550084 /nfs/dbraw/zinc/55/00/84/496550084.db2.gz MUSFBQNQIYNTFG-ZJUUUORDSA-N 0 2 352.268 3.460 20 5 FGBDLN C[S@@](=O)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Cl ZINC000157939875 496591410 /nfs/dbraw/zinc/59/14/10/496591410.db2.gz VJIQNAGZIMERAT-DEOSSOPVSA-N 0 2 368.798 3.085 20 5 FGBDLN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164560126 496619714 /nfs/dbraw/zinc/61/97/14/496619714.db2.gz PYCQYIZXXJUSLF-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000165230390 496652598 /nfs/dbraw/zinc/65/25/98/496652598.db2.gz XLYRMHQSIFKDRU-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN CCO[C@H](C)c1nc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cs1 ZINC000166139569 496677922 /nfs/dbraw/zinc/67/79/22/496677922.db2.gz TYRHLTDXMZNJNC-SECBINFHSA-N 0 2 351.384 3.036 20 5 FGBDLN COc1cccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000194936496 496767422 /nfs/dbraw/zinc/76/74/22/496767422.db2.gz PWOBDGBFGRFTKV-UHFFFAOYSA-N 0 2 356.378 3.329 20 5 FGBDLN CC(C)n1ncc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000195449014 496925836 /nfs/dbraw/zinc/92/58/36/496925836.db2.gz BBWPEWUECLKWQR-UHFFFAOYSA-N 0 2 360.395 3.326 20 5 FGBDLN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000192459615 497120764 /nfs/dbraw/zinc/12/07/64/497120764.db2.gz UACHSKGWAXGNDT-UHFFFAOYSA-N 0 2 366.333 3.480 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000272591063 497673877 /nfs/dbraw/zinc/67/38/77/497673877.db2.gz IGZUEYPZDYGRCR-AWEZNQCLSA-N 0 2 372.377 3.419 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000194650444 497730041 /nfs/dbraw/zinc/73/00/41/497730041.db2.gz MAPUCGTUXNJBLY-UHFFFAOYSA-N 0 2 374.777 3.338 20 5 FGBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000280718405 497871159 /nfs/dbraw/zinc/87/11/59/497871159.db2.gz HBMBSCVDQRWDRU-NSHDSACASA-N 0 2 369.377 3.140 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000364392989 497936450 /nfs/dbraw/zinc/93/64/50/497936450.db2.gz ICPBFPNKMJAOFE-CQSZACIVSA-N 0 2 366.377 3.127 20 5 FGBDLN CC(=O)N1C[C@H](CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000364397533 497938357 /nfs/dbraw/zinc/93/83/57/497938357.db2.gz MEMAZXABSGQLNU-ZDUSSCGKSA-N 0 2 369.377 3.169 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000322724143 498818456 /nfs/dbraw/zinc/81/84/56/498818456.db2.gz WGSDZGSSMKRMJM-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000367754860 499230994 /nfs/dbraw/zinc/23/09/94/499230994.db2.gz XWRPEFPNBZBURQ-QGPMSJSTSA-N 0 2 370.405 3.382 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(c2ccc(F)cc2)CC1 ZINC000372321599 499420339 /nfs/dbraw/zinc/42/03/39/499420339.db2.gz SALIQRZBAXEFRA-UHFFFAOYSA-N 0 2 373.384 3.181 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)sc1C ZINC000409511743 499602560 /nfs/dbraw/zinc/60/25/60/499602560.db2.gz GMMNAPNLFABZRV-UHFFFAOYSA-N 0 2 355.441 3.285 20 5 FGBDLN CC(C)(Cc1nc2ccccc2[nH]1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000409914937 499629217 /nfs/dbraw/zinc/62/92/17/499629217.db2.gz ZRZDKROCJAIXFT-UHFFFAOYSA-N 0 2 354.366 3.384 20 5 FGBDLN Cc1ccc(F)c(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000430078336 500188991 /nfs/dbraw/zinc/18/89/91/500188991.db2.gz KFARQHZZLHELKF-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436958733 500579300 /nfs/dbraw/zinc/57/93/00/500579300.db2.gz JQYMTBCKOJYLIO-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN COc1cc(C)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000447265708 500582217 /nfs/dbraw/zinc/58/22/17/500582217.db2.gz HWTWLDLQGHSLMI-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436968953 500582599 /nfs/dbraw/zinc/58/25/99/500582599.db2.gz WNXKNARSVPBEEN-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN COCc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3O)nc21 ZINC000436981148 500585160 /nfs/dbraw/zinc/58/51/60/500585160.db2.gz SWPCNPLPTBPOKM-UHFFFAOYSA-N 0 2 359.363 3.309 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(c2nc3ccccc3s2)C1 ZINC000437005220 500591884 /nfs/dbraw/zinc/59/18/84/500591884.db2.gz VSQWZIDPTMYJKW-UHFFFAOYSA-N 0 2 355.375 3.150 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000437339492 500632479 /nfs/dbraw/zinc/63/24/79/500632479.db2.gz VISBUZCTQGOYOK-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c1 ZINC000444054585 500797553 /nfs/dbraw/zinc/79/75/53/500797553.db2.gz FNBRFTRBLFWBAM-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436493497 501138694 /nfs/dbraw/zinc/13/86/94/501138694.db2.gz PPYFYDBVTNGLTL-ZWKOTPCHSA-N 0 2 372.377 3.235 20 5 FGBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2ccccc2[nH]1 ZINC000436511750 501144245 /nfs/dbraw/zinc/14/42/45/501144245.db2.gz HRJIHEVVPMWUKT-MRXNPFEDSA-N 0 2 354.366 3.304 20 5 FGBDLN COc1cc(SC)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000446628578 501144612 /nfs/dbraw/zinc/14/46/12/501144612.db2.gz NAXBCBMBEYETIN-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN CCOC(=O)CCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436631828 501173799 /nfs/dbraw/zinc/17/37/99/501173799.db2.gz ABPKYUDVPDIRAR-UHFFFAOYSA-N 0 2 358.350 3.048 20 5 FGBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc2c(c1)OCCO2 ZINC000598946024 506238788 /nfs/dbraw/zinc/23/87/88/506238788.db2.gz OIDBYOMZVSQEGZ-SFHVURJKSA-N 0 2 372.377 3.199 20 5 FGBDLN CC(C)n1c(CNC(=O)c2cc([N+](=O)[O-])ccc2O)nc2ccccc21 ZINC000436667849 501183546 /nfs/dbraw/zinc/18/35/46/501183546.db2.gz ZQUUMOPSJZQTNE-UHFFFAOYSA-N 0 2 354.366 3.161 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000436674585 501185070 /nfs/dbraw/zinc/18/50/70/501185070.db2.gz QOWZHWBKIDALGQ-INIZCTEOSA-N 0 2 372.377 3.295 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(OC(F)F)c1 ZINC000436673756 501185473 /nfs/dbraw/zinc/18/54/73/501185473.db2.gz LWBHWBMEGTXNJI-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN O=C(NCCCOc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1O ZINC000436871340 501225075 /nfs/dbraw/zinc/22/50/75/501225075.db2.gz KDPXQQVCEZAHGE-UHFFFAOYSA-N 0 2 367.361 3.048 20 5 FGBDLN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(F)F ZINC000451079284 501243684 /nfs/dbraw/zinc/24/36/84/501243684.db2.gz IIDJCOIVDMDTQK-ZETCQYMHSA-N 0 2 363.169 3.224 20 5 FGBDLN CCCCc1cnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc1 ZINC000451099572 501245782 /nfs/dbraw/zinc/24/57/82/501245782.db2.gz MJIZZPPENUWMIT-UHFFFAOYSA-N 0 2 364.427 3.145 20 5 FGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000456102936 501455481 /nfs/dbraw/zinc/45/54/81/501455481.db2.gz PHVUGRWQVVUVGK-CYBMUJFWSA-N 0 2 358.394 3.402 20 5 FGBDLN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000485133865 501732996 /nfs/dbraw/zinc/73/29/96/501732996.db2.gz LOZKLYQHUUZOBD-UHFFFAOYSA-N 0 2 355.335 3.440 20 5 FGBDLN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000592879490 506288533 /nfs/dbraw/zinc/28/85/33/506288533.db2.gz MDPOKIJDBPHHMH-DIFFPNOSSA-N 0 2 360.341 3.042 20 5 FGBDLN CN(c1ccccc1)c1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cn1 ZINC000486026611 502022495 /nfs/dbraw/zinc/02/24/95/502022495.db2.gz FNCNIXDOPDEWIO-VQHVLOKHSA-N 0 2 365.349 3.129 20 5 FGBDLN Cc1cc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949141 502248790 /nfs/dbraw/zinc/24/87/90/502248790.db2.gz PTENGRQYUGSDPN-SECBINFHSA-N 0 2 371.319 3.130 20 5 FGBDLN Cn1nc(C(F)F)c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)sc21 ZINC000472492140 502368159 /nfs/dbraw/zinc/36/81/59/502368159.db2.gz CAQJRFUMFWWVMP-UHFFFAOYSA-N 0 2 368.321 3.439 20 5 FGBDLN CCOc1ccc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000505326077 502888653 /nfs/dbraw/zinc/88/86/53/502888653.db2.gz LJIHPNORFDJSEH-LLVKDONJSA-N 0 2 360.366 3.199 20 5 FGBDLN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505908115 503011218 /nfs/dbraw/zinc/01/12/18/503011218.db2.gz UFVGBUVHISEPKF-UHFFFAOYSA-N 0 2 356.256 3.129 20 5 FGBDLN COc1c(F)cc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491571849 503319949 /nfs/dbraw/zinc/31/99/49/503319949.db2.gz IGELKYYUEQICMV-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc2[nH]ncc21 ZINC000491585981 503321713 /nfs/dbraw/zinc/32/17/13/503321713.db2.gz IXRGAOVSSFDJIL-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503374280 503397031 /nfs/dbraw/zinc/39/70/31/503397031.db2.gz JRFALIQREMLQAO-MRXNPFEDSA-N 0 2 370.453 3.386 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nn1-c1cc(C)cc(C)c1 ZINC000540819614 503904644 /nfs/dbraw/zinc/90/46/44/503904644.db2.gz BGZOWKDXCRCPNZ-UHFFFAOYSA-N 0 2 366.377 3.086 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000538299414 504196456 /nfs/dbraw/zinc/19/64/56/504196456.db2.gz VPVJLUBFSUWHHD-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN C[S@](=O)Cc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1Cl ZINC000539425733 504568308 /nfs/dbraw/zinc/56/83/08/504568308.db2.gz XCXLLOTVBONZQW-DEOSSOPVSA-N 0 2 368.798 3.085 20 5 FGBDLN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000539469607 504582789 /nfs/dbraw/zinc/58/27/89/504582789.db2.gz REFOHELXFDGEGR-BBRMVZONSA-N 0 2 362.769 3.214 20 5 FGBDLN CCc1ccc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cc1[N+](=O)[O-] ZINC000550110438 504969330 /nfs/dbraw/zinc/96/93/30/504969330.db2.gz MBYONYULJNLBAO-UHFFFAOYSA-N 0 2 367.365 3.209 20 5 FGBDLN Cc1noc(-c2ccc(C)c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)n1 ZINC000556795854 504976752 /nfs/dbraw/zinc/97/67/52/504976752.db2.gz QCEGWTIRVPIFFF-UHFFFAOYSA-N 0 2 354.322 3.220 20 5 FGBDLN Cc1cc(N2CCC(CCC(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000564090783 505323082 /nfs/dbraw/zinc/32/30/82/505323082.db2.gz VFJPDRAKOUSVAR-UHFFFAOYSA-N 0 2 370.409 3.441 20 5 FGBDLN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Cl ZINC000552652745 505527148 /nfs/dbraw/zinc/52/71/48/505527148.db2.gz VUZYAICAXJNOTG-UHFFFAOYSA-N 0 2 350.758 3.283 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000599750209 506616406 /nfs/dbraw/zinc/61/64/06/506616406.db2.gz GNZAPWKUAOIVCM-VIFPVBQESA-N 0 2 370.287 3.032 20 5 FGBDLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000593734578 506752129 /nfs/dbraw/zinc/75/21/29/506752129.db2.gz AORQSTCKBUZUPK-FZKQIMNGSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000593734578 506752135 /nfs/dbraw/zinc/75/21/35/506752135.db2.gz AORQSTCKBUZUPK-FZKQIMNGSA-N 0 2 356.378 3.255 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593891627 506823602 /nfs/dbraw/zinc/82/36/02/506823602.db2.gz PNARZNYWANUIAW-WDSOQIARSA-N 0 2 368.389 3.435 20 5 FGBDLN Cc1cc(C)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1O ZINC000612997963 506857713 /nfs/dbraw/zinc/85/77/13/506857713.db2.gz ZRRZJKJCIJQJFI-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2occc2s1 ZINC000609921331 507050388 /nfs/dbraw/zinc/05/03/88/507050388.db2.gz JHZAMFIWJPSQEX-UHFFFAOYSA-N 0 2 355.335 3.440 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594725711 507256547 /nfs/dbraw/zinc/25/65/47/507256547.db2.gz GWMQDRUJAWQHCQ-UHFFFAOYSA-N 0 2 370.456 3.144 20 5 FGBDLN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000598222946 507326229 /nfs/dbraw/zinc/32/62/29/507326229.db2.gz DDPFBLWKHIYASR-KRWDZBQOSA-N 0 2 374.368 3.432 20 5 FGBDLN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000598222947 507326321 /nfs/dbraw/zinc/32/63/21/507326321.db2.gz DDPFBLWKHIYASR-QGZVFWFLSA-N 0 2 374.368 3.432 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1C ZINC000598712810 507564112 /nfs/dbraw/zinc/56/41/12/507564112.db2.gz KDRNXYLMQWNROJ-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404310 507664542 /nfs/dbraw/zinc/66/45/42/507664542.db2.gz GJTXKVPSVVEKBJ-LPHOPBHVSA-N 0 2 357.454 3.047 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000611535418 507726948 /nfs/dbraw/zinc/72/69/48/507726948.db2.gz QIFUWIPYHUSBFU-IUCAKERBSA-N 0 2 372.221 3.113 20 5 FGBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000084460527 700356540 /nfs/dbraw/zinc/35/65/40/700356540.db2.gz VRZOXKVCDYKJKA-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000116601146 700595112 /nfs/dbraw/zinc/59/51/12/700595112.db2.gz UCSCUBSSQQLOTM-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cs1 ZINC000120077111 700647669 /nfs/dbraw/zinc/64/76/69/700647669.db2.gz JTRJZPMZKRPQKL-UHFFFAOYSA-N 0 2 374.350 3.271 20 5 FGBDLN CC(C)N1Cc2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2C1 ZINC000120116358 700648429 /nfs/dbraw/zinc/64/84/29/700648429.db2.gz TZIOUBWNJFQWAA-UHFFFAOYSA-N 0 2 367.452 3.181 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(OCCF)c2)cc1[N+](=O)[O-] ZINC000161181609 705270412 /nfs/dbraw/zinc/27/04/12/705270412.db2.gz AZIBBRCNZSFORN-UHFFFAOYSA-N 0 2 372.349 3.191 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000182950057 705870089 /nfs/dbraw/zinc/87/00/89/705870089.db2.gz GXYOQLUAKMEJKB-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CC(C)Oc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000751270915 722800333 /nfs/dbraw/zinc/80/03/33/722800333.db2.gz DBDYUBFZHXVWID-UHFFFAOYSA-N 0 2 371.802 3.231 20 5 FGBDLN O=C(/C=C\c1ccc(Br)o1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859391 723721987 /nfs/dbraw/zinc/72/19/87/723721987.db2.gz ZMRRGVYBKBGTBM-UTCJRWHESA-N 0 2 353.128 3.308 20 5 FGBDLN COc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000775295203 723978813 /nfs/dbraw/zinc/97/88/13/723978813.db2.gz JHGXZXYLOUHKLM-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000800836864 724234221 /nfs/dbraw/zinc/23/42/21/724234221.db2.gz ZTGZYXMVOLHDLZ-UHFFFAOYSA-N 0 2 370.770 3.086 20 5 FGBDLN CSc1ccc(C[NH2+][C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000901940994 743683526 /nfs/dbraw/zinc/68/35/26/743683526.db2.gz QLVUEDMYRSTZHH-OAHLLOKOSA-N 0 2 352.437 3.468 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000031399569 493942454 /nfs/dbraw/zinc/94/24/54/493942454.db2.gz SBFWPJGDNHYTIV-NSHDSACASA-N 0 2 369.377 3.140 20 5 FGBDLN CCCOc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000032599942 493999195 /nfs/dbraw/zinc/99/91/95/493999195.db2.gz HHVXNNVIOYRFTG-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN O=C(Nc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000085587560 494133056 /nfs/dbraw/zinc/13/30/56/494133056.db2.gz KJKWFWSTTKSUII-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000055548382 494358444 /nfs/dbraw/zinc/35/84/44/494358444.db2.gz NTZUEUKLCBQQKJ-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CCCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000055587364 494367564 /nfs/dbraw/zinc/36/75/64/494367564.db2.gz KYUNLFJEZUPLFY-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055652259 494382786 /nfs/dbraw/zinc/38/27/86/494382786.db2.gz YVZHVGXLDQEWKL-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-c2cnco2)c1 ZINC000057119300 494644506 /nfs/dbraw/zinc/64/45/06/494644506.db2.gz IYQXIXNTSBGGQD-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN Cc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2o1 ZINC000121209206 494647408 /nfs/dbraw/zinc/64/74/08/494647408.db2.gz HQHHDNHIXCPIHP-UHFFFAOYSA-N 0 2 367.770 3.499 20 5 FGBDLN Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549053 494666077 /nfs/dbraw/zinc/66/60/77/494666077.db2.gz LEPIWRRTSJFSRI-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075162075 494699704 /nfs/dbraw/zinc/69/97/04/494699704.db2.gz ZZUVRTZOCMWTEJ-UHFFFAOYSA-N 0 2 359.769 3.408 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047521722 494726254 /nfs/dbraw/zinc/72/62/54/494726254.db2.gz LASNUDVESSGDQP-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1[N+](=O)[O-] ZINC000126415178 494742056 /nfs/dbraw/zinc/74/20/56/494742056.db2.gz COANQDBHJRXJQD-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000130758487 495441002 /nfs/dbraw/zinc/44/10/02/495441002.db2.gz DGPLXMRFRHCCJR-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN CN(Cc1ccccc1Br)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179388244 495571492 /nfs/dbraw/zinc/57/14/92/495571492.db2.gz MMTWXKHTBMDOIW-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1cccc([N+](=O)[O-])c1 ZINC000176276481 495574605 /nfs/dbraw/zinc/57/46/05/495574605.db2.gz WFFWGRYDMPOPQG-NSHDSACASA-N 0 2 370.340 3.116 20 5 FGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000185729732 495700901 /nfs/dbraw/zinc/70/09/01/495700901.db2.gz UOQWMOAYXPHNNV-ZDUSSCGKSA-N 0 2 358.394 3.402 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)s1 ZINC000176589838 495711960 /nfs/dbraw/zinc/71/19/60/495711960.db2.gz FYODGEKTHAIVEJ-UHFFFAOYSA-N 0 2 370.456 3.152 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000176591170 495711991 /nfs/dbraw/zinc/71/19/91/495711991.db2.gz GJYZKCAKLUHJEH-UHFFFAOYSA-N 0 2 370.456 3.288 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000176594477 495712938 /nfs/dbraw/zinc/71/29/38/495712938.db2.gz QPJCMKUPOOTLLH-UHFFFAOYSA-N 0 2 374.419 3.290 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 ZINC000159876544 495830701 /nfs/dbraw/zinc/83/07/01/495830701.db2.gz WXFREWHMOOPBGS-SNVBAGLBSA-N 0 2 368.415 3.031 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000159936942 495845589 /nfs/dbraw/zinc/84/55/89/495845589.db2.gz HMHQGSTULCMLHU-UHFFFAOYSA-N 0 2 358.807 3.115 20 5 FGBDLN O=C(Nc1ccc(Br)cc1F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183298716 495921596 /nfs/dbraw/zinc/92/15/96/495921596.db2.gz HLHVLZFGIDCCMI-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183355592 495945032 /nfs/dbraw/zinc/94/50/32/495945032.db2.gz LFGLGASWDBAEKT-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000186540107 496036852 /nfs/dbraw/zinc/03/68/52/496036852.db2.gz YFAYAPZGNLIAKL-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(C2CCCC2)nn1C ZINC000181108951 496274419 /nfs/dbraw/zinc/27/44/19/496274419.db2.gz XSRNGHLTCHATDB-UHFFFAOYSA-N 0 2 364.427 3.095 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000181325677 496354458 /nfs/dbraw/zinc/35/44/58/496354458.db2.gz UBRAAVDOIPCIJC-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(F)(F)F)cc1 ZINC000181334684 496357034 /nfs/dbraw/zinc/35/70/34/496357034.db2.gz RURUEVWKIWQSGN-CQSZACIVSA-N 0 2 370.283 3.342 20 5 FGBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000181659801 496490518 /nfs/dbraw/zinc/49/05/18/496490518.db2.gz VWRFSZUYAQIGCD-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000184689162 496494912 /nfs/dbraw/zinc/49/49/12/496494912.db2.gz NLMUHHMWQOEQOE-INIZCTEOSA-N 0 2 356.378 3.122 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000157709020 496535296 /nfs/dbraw/zinc/53/52/96/496535296.db2.gz IAKPUJOWJROOSK-MRXNPFEDSA-N 0 2 374.368 3.261 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C)c1O ZINC000184808751 496540520 /nfs/dbraw/zinc/54/05/20/496540520.db2.gz FRIYWNIKGYCXHF-UHFFFAOYSA-N 0 2 373.390 3.266 20 5 FGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273621894 496855867 /nfs/dbraw/zinc/85/58/67/496855867.db2.gz ZJIWTHYPCINBHX-KSSFIOAISA-N 0 2 374.368 3.432 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000191785670 496888004 /nfs/dbraw/zinc/88/80/04/496888004.db2.gz OFAZDUVLPIAFBX-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc3scnc3c2)c([N+](=O)[O-])c1 ZINC000195447709 496925730 /nfs/dbraw/zinc/92/57/30/496925730.db2.gz QIHPAPIVZBPSLX-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)F)c1 ZINC000195451780 496926518 /nfs/dbraw/zinc/92/65/18/496926518.db2.gz BRIDBIYMURTACP-UHFFFAOYSA-N 0 2 358.322 3.342 20 5 FGBDLN O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000292122126 497888150 /nfs/dbraw/zinc/88/81/50/497888150.db2.gz RNEXAJLWBJXCPC-SFHVURJKSA-N 0 2 368.389 3.124 20 5 FGBDLN CCOc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000365190719 498343794 /nfs/dbraw/zinc/34/37/94/498343794.db2.gz IOMWSVWLIHSOER-HNNXBMFYSA-N 0 2 358.442 3.182 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282493102 498534498 /nfs/dbraw/zinc/53/44/98/498534498.db2.gz MSLAAVOXLDFVNE-CYBMUJFWSA-N 0 2 358.316 3.495 20 5 FGBDLN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000372520529 499137670 /nfs/dbraw/zinc/13/76/70/499137670.db2.gz GKEZKHPTRXRXQL-GFCCVEGCSA-N 0 2 361.423 3.257 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(F)c1 ZINC000404897660 499570546 /nfs/dbraw/zinc/57/05/46/499570546.db2.gz CPKLKUFBSINXSG-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000410405063 499660579 /nfs/dbraw/zinc/66/05/79/499660579.db2.gz IIUTZPOKWFELQI-UHFFFAOYSA-N 0 2 358.322 3.073 20 5 FGBDLN CC(C)[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)(F)F ZINC000414475374 499796884 /nfs/dbraw/zinc/79/68/84/499796884.db2.gz GYTBIFMXLSKSQF-JTQLQIEISA-N 0 2 360.741 3.113 20 5 FGBDLN CC1(C)CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2C1 ZINC000416421239 500041191 /nfs/dbraw/zinc/04/11/91/500041191.db2.gz BJSJBGWZWJMPGJ-UHFFFAOYSA-N 0 2 373.481 3.429 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cnn(Cc2ccccc2)c1 ZINC000436962883 500580335 /nfs/dbraw/zinc/58/03/35/500580335.db2.gz YFAVGFDWEXUPOP-CYBMUJFWSA-N 0 2 366.377 3.036 20 5 FGBDLN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC000436967823 500581534 /nfs/dbraw/zinc/58/15/34/500581534.db2.gz ZFUJWYMXPANKKL-LBPRGKRZSA-N 0 2 371.393 3.389 20 5 FGBDLN COc1cc(C)cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000447272236 500582804 /nfs/dbraw/zinc/58/28/04/500582804.db2.gz VJJFBTRYTUCBBM-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436980044 500585123 /nfs/dbraw/zinc/58/51/23/500585123.db2.gz MBMPBPRTUAGHFN-FUHWJXTLSA-N 0 2 356.378 3.259 20 5 FGBDLN COc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436980027 500585383 /nfs/dbraw/zinc/58/53/83/500585383.db2.gz NTVZTUUDCNTWIG-UHFFFAOYSA-N 0 2 374.393 3.025 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437341315 500633514 /nfs/dbraw/zinc/63/35/14/500633514.db2.gz WUZTWSXXVDQDNM-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN O=C(Nc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)C1CC1 ZINC000445215133 500955299 /nfs/dbraw/zinc/95/52/99/500955299.db2.gz ZUNPJLCUXQHIHD-UHFFFAOYSA-N 0 2 366.333 3.366 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1C ZINC000435717604 501016914 /nfs/dbraw/zinc/01/69/14/501016914.db2.gz PCDULHQKLOOOJQ-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000436181817 501084981 /nfs/dbraw/zinc/08/49/81/501084981.db2.gz OLDVTPSWNAGITC-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN COc1cc(SC)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000446638050 501145910 /nfs/dbraw/zinc/14/59/10/501145910.db2.gz NAUSOSBAFOVBQK-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN CCOc1cc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OC ZINC000436669397 501184485 /nfs/dbraw/zinc/18/44/85/501184485.db2.gz KWGFTDCZNDYSIK-UHFFFAOYSA-N 0 2 374.393 3.070 20 5 FGBDLN O=C(NCCCOc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1O ZINC000436672737 501185195 /nfs/dbraw/zinc/18/51/95/501185195.db2.gz ZUGHVNZAXWOUHL-UHFFFAOYSA-N 0 2 367.361 3.048 20 5 FGBDLN COc1ccccc1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000436793715 501212884 /nfs/dbraw/zinc/21/28/84/501212884.db2.gz SKAYOSVZRMRDIF-SFHVURJKSA-N 0 2 368.345 3.421 20 5 FGBDLN COc1ccc(CNC(=O)c2cc(F)c(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000436921027 501233102 /nfs/dbraw/zinc/23/31/02/501233102.db2.gz ISCZFZTZLPWUAU-UHFFFAOYSA-N 0 2 354.721 3.032 20 5 FGBDLN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000485436818 501820790 /nfs/dbraw/zinc/82/07/90/501820790.db2.gz NVGCLNBWARXUNA-HWPZZCPQSA-N 0 2 364.785 3.460 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C2CCCC2)n[nH]1 ZINC000474416858 501828466 /nfs/dbraw/zinc/82/84/66/501828466.db2.gz PQJMACHBMAHYBN-UHFFFAOYSA-N 0 2 364.427 3.393 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH]n1 ZINC000471505479 502048331 /nfs/dbraw/zinc/04/83/31/502048331.db2.gz QXLZIJZLFILUGV-UHFFFAOYSA-N 0 2 352.416 3.078 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000478713759 502066513 /nfs/dbraw/zinc/06/65/13/502066513.db2.gz VQYUJXZEJUXSRG-JTQLQIEISA-N 0 2 350.400 3.008 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000476252522 502430938 /nfs/dbraw/zinc/43/09/38/502430938.db2.gz HBQNDBXQJQIGBO-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccc(Br)cc21 ZINC000469654898 502493976 /nfs/dbraw/zinc/49/39/76/502493976.db2.gz YSCODGJEHMPVLM-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC000480209369 502501897 /nfs/dbraw/zinc/50/18/97/502501897.db2.gz MNFOQEIURUWFEY-UHFFFAOYSA-N 0 2 360.313 3.430 20 5 FGBDLN COc1ccc(C)cc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480735805 502657659 /nfs/dbraw/zinc/65/76/59/502657659.db2.gz XFAJSPLYZULTHT-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN Cc1ccn(-c2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)n1 ZINC000582621425 506330691 /nfs/dbraw/zinc/33/06/91/506330691.db2.gz JCAHLHONZHSABJ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCCCOc1ccc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506370898 503104325 /nfs/dbraw/zinc/10/43/25/503104325.db2.gz QQRBSKJWMHYMSP-UHFFFAOYSA-N 0 2 358.394 3.452 20 5 FGBDLN CC(=O)Nc1nc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2s1 ZINC000506661686 503151745 /nfs/dbraw/zinc/15/17/45/503151745.db2.gz OORBXKKAKUWZGF-UHFFFAOYSA-N 0 2 372.362 3.121 20 5 FGBDLN O=C(N=c1cc(-c2ccc(Cl)s2)[nH][nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507085776 503227742 /nfs/dbraw/zinc/22/77/42/503227742.db2.gz FNRITWLURBNXHT-UHFFFAOYSA-N 0 2 364.770 3.080 20 5 FGBDLN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000588856277 506359958 /nfs/dbraw/zinc/35/99/58/506359958.db2.gz NKVOHITVVGSZPY-LLVKDONJSA-N 0 2 373.394 3.001 20 5 FGBDLN COc1ccc(N2CC(=O)C(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)=N2)cc1 ZINC000499780488 503481090 /nfs/dbraw/zinc/48/10/90/503481090.db2.gz LTYMSVSOCKVMJD-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN O=C(Nc1ccnc(Sc2ccccn2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509036193 503626053 /nfs/dbraw/zinc/62/60/53/503626053.db2.gz FLGDYPBRPUVPCL-UHFFFAOYSA-N 0 2 368.374 3.494 20 5 FGBDLN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000544327170 504088927 /nfs/dbraw/zinc/08/89/27/504088927.db2.gz MFVRFOBNWLHQFD-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000534674977 504212780 /nfs/dbraw/zinc/21/27/80/504212780.db2.gz PUKVKFVFZQZDCZ-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN CC(C)(C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000539764444 504678405 /nfs/dbraw/zinc/67/84/05/504678405.db2.gz OSADSXWULJAMKZ-SSDOTTSWSA-N 0 2 360.379 3.302 20 5 FGBDLN O=C([O-])c1cc(NCc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000549916735 504932943 /nfs/dbraw/zinc/93/29/43/504932943.db2.gz YWSJNSOMSIZYJV-UHFFFAOYSA-N 0 2 356.382 3.290 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000550129092 504973789 /nfs/dbraw/zinc/97/37/89/504973789.db2.gz RWJATUZMEYPZFR-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557066652 505057798 /nfs/dbraw/zinc/05/77/98/505057798.db2.gz HPKMNSUIUKRIJS-ZWKOTPCHSA-N 0 2 372.377 3.235 20 5 FGBDLN Cc1c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccccc2n1C ZINC000551474278 505233914 /nfs/dbraw/zinc/23/39/14/505233914.db2.gz WDYDSZAPCVOROY-UHFFFAOYSA-N 0 2 363.370 3.335 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1scnc1C1CC1 ZINC000551805080 505313163 /nfs/dbraw/zinc/31/31/63/505313163.db2.gz NSLDIHMLRWWSOW-UHFFFAOYSA-N 0 2 353.425 3.292 20 5 FGBDLN Cc1cc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000555191642 505375029 /nfs/dbraw/zinc/37/50/29/505375029.db2.gz GDQCABZWLFTQLY-SECBINFHSA-N 0 2 371.319 3.130 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccc2c1OCCC2 ZINC000593279573 506509020 /nfs/dbraw/zinc/50/90/20/506509020.db2.gz IRFSCBYJGHRQCV-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN CCOc1ccc(OCC)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000603779994 506617211 /nfs/dbraw/zinc/61/72/11/506617211.db2.gz OKGVVSRDGLTPJY-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000608927541 506744561 /nfs/dbraw/zinc/74/45/61/506744561.db2.gz BEHMPBCNKJVGDQ-LBPRGKRZSA-N 0 2 352.416 3.199 20 5 FGBDLN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Cl ZINC000604199103 506749180 /nfs/dbraw/zinc/74/91/80/506749180.db2.gz JYFSJBVBDSASTE-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN CC1(C)C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2cc(F)ccc2O1 ZINC000593816325 506788024 /nfs/dbraw/zinc/78/80/24/506788024.db2.gz WVJGLAMZZHEULA-CQSZACIVSA-N 0 2 360.341 3.472 20 5 FGBDLN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000593850715 506803719 /nfs/dbraw/zinc/80/37/19/506803719.db2.gz OGSBLYVMWHRASW-CYBMUJFWSA-N 0 2 364.398 3.027 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593891523 506822476 /nfs/dbraw/zinc/82/24/76/506822476.db2.gz OMQROFGMYAXQDA-WDSOQIARSA-N 0 2 368.389 3.435 20 5 FGBDLN Cc1n[nH]cc1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000609761414 506992034 /nfs/dbraw/zinc/99/20/34/506992034.db2.gz MQNNTRGXVMBXEG-UHFFFAOYSA-N 0 2 374.378 3.219 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000584135226 507171566 /nfs/dbraw/zinc/17/15/66/507171566.db2.gz WMMXFMFLZPQTJN-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN Cc1cc(N2CCC[C@H](CC(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591326779 507202433 /nfs/dbraw/zinc/20/24/33/507202433.db2.gz IHKNSZZZIRDLIR-CYBMUJFWSA-N 0 2 356.382 3.051 20 5 FGBDLN CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000594694702 507242123 /nfs/dbraw/zinc/24/21/23/507242123.db2.gz BYFWIYHBHWVQAJ-NSHDSACASA-N 0 2 366.395 3.279 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139276782 704877200 /nfs/dbraw/zinc/87/72/00/704877200.db2.gz ULVHLCSMCJOYQG-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cccc3cccnc32)cc([N+](=O)[O-])c1F ZINC000154235042 705027068 /nfs/dbraw/zinc/02/70/68/705027068.db2.gz FNSHTUYMBWGPJN-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(F)c1 ZINC000790382017 723133740 /nfs/dbraw/zinc/13/37/40/723133740.db2.gz ICBOEPVUDXXHEK-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN COc1ccc(O)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000775675861 724022096 /nfs/dbraw/zinc/02/20/96/724022096.db2.gz LHJHUYQHUCDHNQ-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC000777940009 724273420 /nfs/dbraw/zinc/27/34/20/724273420.db2.gz KOHWOFVQBDEWAE-UHFFFAOYSA-N 0 2 370.406 3.148 20 5 FGBDLN Cc1c(Cl)nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000811835851 725382340 /nfs/dbraw/zinc/38/23/40/725382340.db2.gz RBDDEOAVZGYTEK-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN CC1(C)CCc2sc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)nc21 ZINC000817392135 727246610 /nfs/dbraw/zinc/24/66/10/727246610.db2.gz JLPIQOCWPBJLQZ-UHFFFAOYSA-N 0 2 359.454 3.137 20 5 FGBDLN CC(C)(c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccccc1Br ZINC000842504234 730510234 /nfs/dbraw/zinc/51/02/34/730510234.db2.gz HEAQMRVOSBQAGX-LDYMZIIASA-N 0 2 352.188 3.291 20 5 FGBDLN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901986718 743692980 /nfs/dbraw/zinc/69/29/80/743692980.db2.gz BVUSKHRBXIMGAJ-ZETCQYMHSA-N 0 2 351.222 3.104 20 5 FGBDLN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901986718 743692987 /nfs/dbraw/zinc/69/29/87/743692987.db2.gz BVUSKHRBXIMGAJ-ZETCQYMHSA-N 0 2 351.222 3.104 20 5 FGBDLN O=C(COc1ccccc1Br)Nc1cc([N+](=O)[O-])ccc1O ZINC000021028355 220349429 /nfs/dbraw/zinc/34/94/29/220349429.db2.gz MSABVBJJFJMHIA-UHFFFAOYSA-N 0 2 367.155 3.080 20 5 FGBDLN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068466315 493826428 /nfs/dbraw/zinc/82/64/28/493826428.db2.gz LSJMFFOCVDDKDK-INIZCTEOSA-N 0 2 366.377 3.164 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003138960 493831118 /nfs/dbraw/zinc/83/11/18/493831118.db2.gz YBQANUVIALLXHS-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN CCCOc1cccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000032599922 493999483 /nfs/dbraw/zinc/99/94/83/493999483.db2.gz MYUSFHPGSDLMIU-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000055638781 494378509 /nfs/dbraw/zinc/37/85/09/494378509.db2.gz YWEZUPBRXRZGNM-UHFFFAOYSA-N 0 2 363.395 3.134 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115722389 494604629 /nfs/dbraw/zinc/60/46/29/494604629.db2.gz ALGZVMNIBFNZPU-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000080445799 494706192 /nfs/dbraw/zinc/70/61/92/494706192.db2.gz VPOAWYUEBKTWSP-UHFFFAOYSA-N 0 2 364.785 3.495 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)c([N+](=O)[O-])c1 ZINC000132784113 494924067 /nfs/dbraw/zinc/92/40/67/494924067.db2.gz HIHVPBXDSPDZCG-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000119664226 495213421 /nfs/dbraw/zinc/21/34/21/495213421.db2.gz DIEHHXATXYBZAR-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2C)c([N+](=O)[O-])c1 ZINC000113700799 495325331 /nfs/dbraw/zinc/32/53/31/495325331.db2.gz GKOBTVMJRFGNOT-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(Nc1ccc2nn[nH]c2c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124718540 495332582 /nfs/dbraw/zinc/33/25/82/495332582.db2.gz WTHYFITYOWARGT-UHFFFAOYSA-N 0 2 351.244 3.137 20 5 FGBDLN Cc1cccc(C(=O)N[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C(C)C)c1 ZINC000120875217 495475659 /nfs/dbraw/zinc/47/56/59/495475659.db2.gz KIVPHBJBCATQLI-QGZVFWFLSA-N 0 2 371.393 3.002 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(COc2ccccc2)CC1 ZINC000179481980 495608972 /nfs/dbraw/zinc/60/89/72/495608972.db2.gz AFAKPKJVVQUOES-UHFFFAOYSA-N 0 2 356.378 3.232 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182831816 495720059 /nfs/dbraw/zinc/72/00/59/495720059.db2.gz QDKKXLZLWLJLBV-CZUORRHYSA-N 0 2 362.769 3.214 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1C ZINC000174024964 495793340 /nfs/dbraw/zinc/79/33/40/495793340.db2.gz PJMRZJQLUQLPMA-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cc(F)cc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000183132249 495847352 /nfs/dbraw/zinc/84/73/52/495847352.db2.gz DQNAVWNYPAFPIT-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 ZINC000180131412 495871794 /nfs/dbraw/zinc/87/17/94/495871794.db2.gz CASZXUBIXORBHH-LBPRGKRZSA-N 0 2 360.391 3.240 20 5 FGBDLN CC1(C)Cc2nc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)sc2C(=O)C1 ZINC000160062249 495875812 /nfs/dbraw/zinc/87/58/12/495875812.db2.gz ZJJHJIGBOPYSNX-UHFFFAOYSA-N 0 2 361.379 3.164 20 5 FGBDLN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)CO1 ZINC000174346807 495920928 /nfs/dbraw/zinc/92/09/28/495920928.db2.gz IYUIPJZUNIDJSV-FZKQIMNGSA-N 0 2 356.378 3.211 20 5 FGBDLN CCc1c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cnn1CC(C)C ZINC000160376241 495950017 /nfs/dbraw/zinc/95/00/17/495950017.db2.gz HJZLPSXIOVQIBO-UHFFFAOYSA-N 0 2 366.443 3.119 20 5 FGBDLN CC1CCN(c2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cn2)CC1 ZINC000155972305 496121785 /nfs/dbraw/zinc/12/17/85/496121785.db2.gz YSLPUFXCDNTHCE-UHFFFAOYSA-N 0 2 356.382 3.184 20 5 FGBDLN O=C(Cc1ccc(Br)c(F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000180777849 496142470 /nfs/dbraw/zinc/14/24/70/496142470.db2.gz ZRQRQWFFKAKICI-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN O=C(Cc1ccc(Br)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183904883 496154877 /nfs/dbraw/zinc/15/48/77/496154877.db2.gz IRVBNLFHOILRKI-UHFFFAOYSA-N 0 2 351.156 3.244 20 5 FGBDLN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000156677253 496309214 /nfs/dbraw/zinc/30/92/14/496309214.db2.gz YBTLZPJOKDLRMA-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157502826 496490294 /nfs/dbraw/zinc/49/02/94/496490294.db2.gz UJLDYUQYTCMVCU-UHFFFAOYSA-N 0 2 371.393 3.100 20 5 FGBDLN CCOc1cc(NCc2nnc(COc3ccccc3)[nH]2)ccc1[N+](=O)[O-] ZINC000184777979 496529152 /nfs/dbraw/zinc/52/91/52/496529152.db2.gz MCJUJTQCEDDHIA-UHFFFAOYSA-N 0 2 369.381 3.303 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c2ncccc12 ZINC000184792162 496534080 /nfs/dbraw/zinc/53/40/80/496534080.db2.gz JSFWMNJOLLXKEA-UHFFFAOYSA-N 0 2 368.374 3.425 20 5 FGBDLN Cc1cc(Oc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000164932894 496639575 /nfs/dbraw/zinc/63/95/75/496639575.db2.gz JRKFAIKFADRPFD-UHFFFAOYSA-N 0 2 354.322 3.377 20 5 FGBDLN O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166090426 496677255 /nfs/dbraw/zinc/67/72/55/496677255.db2.gz OCVJEVIEZSJXHC-UHFFFAOYSA-N 0 2 370.283 3.423 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000182127467 496679829 /nfs/dbraw/zinc/67/98/29/496679829.db2.gz RVHLNACTVLJOGC-ZDUSSCGKSA-N 0 2 362.407 3.183 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c1[N+](=O)[O-] ZINC000191796011 496892031 /nfs/dbraw/zinc/89/20/31/496892031.db2.gz DWSUZQXIEPKSLN-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=C(Nc1ccc(Br)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000217315855 496996842 /nfs/dbraw/zinc/99/68/42/496996842.db2.gz RETBCHUVYFMFBC-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1COC1CCOCC1 ZINC000275170468 497249188 /nfs/dbraw/zinc/24/91/88/497249188.db2.gz WSZXJHCKTBIXRE-UHFFFAOYSA-N 0 2 372.377 3.248 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1O ZINC000189937204 497299242 /nfs/dbraw/zinc/29/92/42/497299242.db2.gz IBNPAHCMKJZIRX-UHFFFAOYSA-N 0 2 352.100 3.373 20 5 FGBDLN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194626028 497723169 /nfs/dbraw/zinc/72/31/69/497723169.db2.gz LKTFJDMHBRKZOC-UHFFFAOYSA-N 0 2 354.359 3.322 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ncccc12 ZINC000194662813 497733032 /nfs/dbraw/zinc/73/30/32/497733032.db2.gz RWJIXWKZBGBDBC-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN C[C@@H](C(=O)N=c1nc(-c2ccsc2)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000569655051 505984594 /nfs/dbraw/zinc/98/45/94/505984594.db2.gz ODYYEVBVBSRSDU-SECBINFHSA-N 0 2 360.420 3.339 20 5 FGBDLN Cc1nc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n[nH]1 ZINC000292869023 498176782 /nfs/dbraw/zinc/17/67/82/498176782.db2.gz SEBVEBRTWDCDDH-LLVKDONJSA-N 0 2 369.347 3.420 20 5 FGBDLN O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)CCCCF)n2)c1 ZINC000289901211 498344734 /nfs/dbraw/zinc/34/47/34/498344734.db2.gz YNBRUIAMUBOMSD-UHFFFAOYSA-N 0 2 359.404 3.210 20 5 FGBDLN Cc1nccc(-c2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)n1 ZINC000366012721 498732399 /nfs/dbraw/zinc/73/23/99/498732399.db2.gz WDDASWIHDNJBID-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CSc1cccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000581907627 506086889 /nfs/dbraw/zinc/08/68/89/506086889.db2.gz YEZLTAFJGHTDJH-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000372520535 499137974 /nfs/dbraw/zinc/13/79/74/499137974.db2.gz GKEZKHPTRXRXQL-LBPRGKRZSA-N 0 2 361.423 3.257 20 5 FGBDLN Cc1ccc(C(=O)C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000367206470 499161602 /nfs/dbraw/zinc/16/16/02/499161602.db2.gz RCUGPLUXOOPHCZ-UHFFFAOYSA-N 0 2 368.389 3.344 20 5 FGBDLN COc1cccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000378547388 499530594 /nfs/dbraw/zinc/53/05/94/499530594.db2.gz XVHHRWFJFSCNJF-UHFFFAOYSA-N 0 2 354.362 3.239 20 5 FGBDLN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000409531025 499604163 /nfs/dbraw/zinc/60/41/63/499604163.db2.gz AJVGEYMIMGEBOR-JTQLQIEISA-N 0 2 367.452 3.367 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nn1C(C)C ZINC000421185473 499986035 /nfs/dbraw/zinc/98/60/35/499986035.db2.gz QSGSWPHQSAUESZ-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN CSc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000573402645 506187664 /nfs/dbraw/zinc/18/76/64/506187664.db2.gz IZMDPAIFDCOOGH-UHFFFAOYSA-N 0 2 373.843 3.474 20 5 FGBDLN C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C(=O)[O-] ZINC000424424120 500501773 /nfs/dbraw/zinc/50/17/73/500501773.db2.gz VXTZHZHPADIDPT-ABAIWWIYSA-N 0 2 361.423 3.403 20 5 FGBDLN C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C(=O)[O-] ZINC000424424120 500501775 /nfs/dbraw/zinc/50/17/75/500501775.db2.gz VXTZHZHPADIDPT-ABAIWWIYSA-N 0 2 361.423 3.403 20 5 FGBDLN O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc([N+](=O)[O-])cc1O ZINC000436959179 500579245 /nfs/dbraw/zinc/57/92/45/500579245.db2.gz BTASGKPFKSDDGP-UHFFFAOYSA-N 0 2 351.290 3.441 20 5 FGBDLN CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000436962505 500580076 /nfs/dbraw/zinc/58/00/76/500580076.db2.gz NXPZUVKTHLBVJH-UHFFFAOYSA-N 0 2 356.256 3.476 20 5 FGBDLN O=C(NCc1ccccc1OCC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436968133 500581595 /nfs/dbraw/zinc/58/15/95/500581595.db2.gz SNDJVHVRJQCITB-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436968111 500582037 /nfs/dbraw/zinc/58/20/37/500582037.db2.gz SIGZOYKTYQXORC-UHFFFAOYSA-N 0 2 371.393 3.215 20 5 FGBDLN Cc1ccccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n(C)n1 ZINC000436984645 500587059 /nfs/dbraw/zinc/58/70/59/500587059.db2.gz YYUNLAWVRSWKCF-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN Cc1ccnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)n1 ZINC000436999600 500590454 /nfs/dbraw/zinc/59/04/54/500590454.db2.gz KEBSHTGMRDGTRU-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000440308471 500995089 /nfs/dbraw/zinc/99/50/89/500995089.db2.gz YBYKNOMOOYRWBM-UHFFFAOYSA-N 0 2 372.377 3.186 20 5 FGBDLN COc1cc(SC)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000446650299 501148381 /nfs/dbraw/zinc/14/83/81/501148381.db2.gz YUDJJNTYLZDWDJ-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)c1C ZINC000436642416 501176092 /nfs/dbraw/zinc/17/60/92/501176092.db2.gz RUKQTMYTLXLKSU-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2[nH]1 ZINC000436669544 501183823 /nfs/dbraw/zinc/18/38/23/501183823.db2.gz AIZJOGVGHIKBMU-INIZCTEOSA-N 0 2 354.366 3.304 20 5 FGBDLN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436862844 501223502 /nfs/dbraw/zinc/22/35/02/501223502.db2.gz QDCZVAUKKYASFH-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n(Cc2ccccc2)n1 ZINC000436868426 501224296 /nfs/dbraw/zinc/22/42/96/501224296.db2.gz JCGBTYFYDVEQQL-UHFFFAOYSA-N 0 2 352.350 3.106 20 5 FGBDLN CC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2s1 ZINC000436868254 501224715 /nfs/dbraw/zinc/22/47/15/501224715.db2.gz HYHRGPGFOSQNQY-UHFFFAOYSA-N 0 2 372.362 3.121 20 5 FGBDLN CC(=O)c1ccc(O)c(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000436875301 501225347 /nfs/dbraw/zinc/22/53/47/501225347.db2.gz XKUUGMMJMPPTIK-UHFFFAOYSA-N 0 2 367.317 3.009 20 5 FGBDLN O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436908366 501230710 /nfs/dbraw/zinc/23/07/10/501230710.db2.gz INDIXASGAPRNPD-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(Cl)c1 ZINC000436925256 501234003 /nfs/dbraw/zinc/23/40/03/501234003.db2.gz IFFMGONSNRDEOY-CQSZACIVSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)c([N+](=O)[O-])c1 ZINC000451057331 501242495 /nfs/dbraw/zinc/24/24/95/501242495.db2.gz DGOKAIYMPWYNNH-CQSZACIVSA-N 0 2 362.407 3.208 20 5 FGBDLN Cc1[nH+]c2ccccc2n1CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000582491535 506253655 /nfs/dbraw/zinc/25/36/55/506253655.db2.gz MDSFYLBRZLZTFP-UHFFFAOYSA-N 0 2 368.393 3.382 20 5 FGBDLN COCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC000474370932 501809222 /nfs/dbraw/zinc/80/92/22/501809222.db2.gz KKXCLKAGYVTXJE-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN CCc1ccc(O)c(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000481601696 501828306 /nfs/dbraw/zinc/82/83/06/501828306.db2.gz RNYAWOKQWLBZKT-UHFFFAOYSA-N 0 2 350.396 3.280 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)cc2Br)[nH]1 ZINC000486103129 502047097 /nfs/dbraw/zinc/04/70/97/502047097.db2.gz MIWRQPKVAYSLAE-RQOWECAXSA-N 0 2 372.562 3.382 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000478690889 502058305 /nfs/dbraw/zinc/05/83/05/502058305.db2.gz JVRCAQMYWHGQSN-SNVBAGLBSA-N 0 2 350.400 3.008 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)c1C ZINC000468876990 502215096 /nfs/dbraw/zinc/21/50/96/502215096.db2.gz ICGBLZWSCARDSY-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)Cc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000468967875 502246563 /nfs/dbraw/zinc/24/65/63/502246563.db2.gz OQZGTQQJXQSHER-UHFFFAOYSA-N 0 2 368.386 3.383 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000479769044 502372462 /nfs/dbraw/zinc/37/24/62/502372462.db2.gz JVIZVRYKTRGERV-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2c1 ZINC000483434458 502391066 /nfs/dbraw/zinc/39/10/66/502391066.db2.gz DFMBZMFTJIKRLT-UHFFFAOYSA-N 0 2 357.297 3.254 20 5 FGBDLN CCCNC(=O)Nc1ccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000483440060 502393677 /nfs/dbraw/zinc/39/36/77/502393677.db2.gz MHRVUIROJVTYGH-UHFFFAOYSA-N 0 2 372.381 3.013 20 5 FGBDLN CN(C)c1ccc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2n1 ZINC000469634425 502487532 /nfs/dbraw/zinc/48/75/32/502487532.db2.gz RYBNBPJUYUICIQ-UHFFFAOYSA-N 0 2 352.350 3.167 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000480198472 502499023 /nfs/dbraw/zinc/49/90/23/502499023.db2.gz PILSKIGRIFODGK-JTQLQIEISA-N 0 2 352.416 3.180 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000480217419 502504332 /nfs/dbraw/zinc/50/43/32/502504332.db2.gz NAIQKBHDIBZARR-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N=c1ccc(-c2ccccc2)n[nH]1 ZINC000466652198 502633046 /nfs/dbraw/zinc/63/30/46/502633046.db2.gz SIESHLQCJOYYAQ-UHFFFAOYSA-N 0 2 373.372 3.067 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477134578 502686825 /nfs/dbraw/zinc/68/68/25/502686825.db2.gz NFVLDXDOPFOIOK-UHFFFAOYSA-N 0 2 366.312 3.253 20 5 FGBDLN O=C(NC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588762019 506329004 /nfs/dbraw/zinc/32/90/04/506329004.db2.gz SQFSENIRLLZJTD-UHFFFAOYSA-N 0 2 356.378 3.170 20 5 FGBDLN CCOC(=O)CCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000513564445 502966520 /nfs/dbraw/zinc/96/65/20/502966520.db2.gz VKJTYCFYNIBROQ-UHFFFAOYSA-N 0 2 358.350 3.048 20 5 FGBDLN CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000513611502 502979682 /nfs/dbraw/zinc/97/96/82/502979682.db2.gz KYIDZLMNPYXPLC-UHFFFAOYSA-N 0 2 372.377 3.186 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OCC2CC2)cc1 ZINC000497959888 503074677 /nfs/dbraw/zinc/07/46/77/503074677.db2.gz MUCSXNNGHBEGIP-UHFFFAOYSA-N 0 2 362.407 3.493 20 5 FGBDLN COCCOc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000507547409 503319222 /nfs/dbraw/zinc/31/92/22/503319222.db2.gz IWKNYBQBCWFIPO-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000493157590 503410600 /nfs/dbraw/zinc/41/06/00/503410600.db2.gz QSNAPJUDQYMYNT-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN O=C(NCCCSc1ccc(F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503500891 503422670 /nfs/dbraw/zinc/42/26/70/503422670.db2.gz ZMDRWFRQZQZZOR-UHFFFAOYSA-N 0 2 350.371 3.352 20 5 FGBDLN CCOc1ccccc1OCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000543447712 503774399 /nfs/dbraw/zinc/77/43/99/503774399.db2.gz WBDTUKSDECQIEO-UHFFFAOYSA-N 0 2 360.366 3.497 20 5 FGBDLN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1(C)C ZINC000540588209 503825844 /nfs/dbraw/zinc/82/58/44/503825844.db2.gz WGUFZFIMEBXXCA-LSDHHAIUSA-N 0 2 350.415 3.356 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000538296758 504195052 /nfs/dbraw/zinc/19/50/52/504195052.db2.gz PEUKCEDPXZEGIB-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000538313769 504202595 /nfs/dbraw/zinc/20/25/95/504202595.db2.gz PYADZFCIFYSTDF-OAHLLOKOSA-N 0 2 356.378 3.122 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(COc2ccccc2)CC1 ZINC000538344793 504215916 /nfs/dbraw/zinc/21/59/16/504215916.db2.gz CYYSMSGUTGCDMN-UHFFFAOYSA-N 0 2 356.378 3.232 20 5 FGBDLN COc1cccc(C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000547795526 504228769 /nfs/dbraw/zinc/22/87/69/504228769.db2.gz STYWPNMSFYVCAU-AWEZNQCLSA-N 0 2 356.378 3.156 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541737342 504238088 /nfs/dbraw/zinc/23/80/88/504238088.db2.gz MUPDEFNRNODLAH-YJBOKZPZSA-N 0 2 374.368 3.432 20 5 FGBDLN CSc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1NC(C)=O ZINC000538871311 504400166 /nfs/dbraw/zinc/40/01/66/504400166.db2.gz ZSQZVXVAQPSXNT-UHFFFAOYSA-N 0 2 361.379 3.233 20 5 FGBDLN CC(C)c1cccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000535387078 504421211 /nfs/dbraw/zinc/42/12/11/504421211.db2.gz YJRLHMOJJUNMJG-UHFFFAOYSA-N 0 2 360.395 3.395 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C ZINC000520279617 504453817 /nfs/dbraw/zinc/45/38/17/504453817.db2.gz JGTOVNRUPIQOHG-UHFFFAOYSA-N 0 2 369.830 3.423 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000539112165 504477742 /nfs/dbraw/zinc/47/77/42/504477742.db2.gz QVYILJYJUSNCNX-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)s1 ZINC000539554072 504606105 /nfs/dbraw/zinc/60/61/05/504606105.db2.gz HXPFPAUXOIXTQD-UHFFFAOYSA-N 0 2 355.441 3.367 20 5 FGBDLN CCCN(CC)C(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000536194913 504662380 /nfs/dbraw/zinc/66/23/80/504662380.db2.gz ZGZCVQAPLUUMRC-UHFFFAOYSA-N 0 2 371.393 3.425 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000558153876 505321601 /nfs/dbraw/zinc/32/16/01/505321601.db2.gz BJPNPUIFTFPUIG-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000564143220 505336170 /nfs/dbraw/zinc/33/61/70/505336170.db2.gz ICSKKVHAWFPKBT-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN O=C(NCCOc1cccc(Cl)c1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000551934681 505346085 /nfs/dbraw/zinc/34/60/85/505346085.db2.gz KXIZNMGZEFHPKV-UHFFFAOYSA-N 0 2 371.176 3.416 20 5 FGBDLN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000552048949 505381786 /nfs/dbraw/zinc/38/17/86/505381786.db2.gz FHPOJEGCGJFFIJ-JTQLQIEISA-N 0 2 350.758 3.151 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000561694241 505411429 /nfs/dbraw/zinc/41/14/29/505411429.db2.gz QZTAVMLMUZXKPC-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n(-c2ccccc2C)n1 ZINC000608927127 506744444 /nfs/dbraw/zinc/74/44/44/506744444.db2.gz JVVPYFKTCPIFAZ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590138433 506747139 /nfs/dbraw/zinc/74/71/39/506747139.db2.gz MKUGBPFYMXZRIX-UHFFFAOYSA-N 0 2 371.319 3.130 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000593737590 506753979 /nfs/dbraw/zinc/75/39/79/506753979.db2.gz QHRDSOQBLKJQRD-GOSISDBHSA-N 0 2 370.405 3.127 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000593737590 506753985 /nfs/dbraw/zinc/75/39/85/506753985.db2.gz QHRDSOQBLKJQRD-GOSISDBHSA-N 0 2 370.405 3.127 20 5 FGBDLN CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000604438382 506832343 /nfs/dbraw/zinc/83/23/43/506832343.db2.gz PPWMVHOLRLNEMR-UHFFFAOYSA-N 0 2 370.818 3.137 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590597479 506874026 /nfs/dbraw/zinc/87/40/26/506874026.db2.gz DXNIWNRJFCJQSL-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN Cc1cc(Br)ccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609549440 506918943 /nfs/dbraw/zinc/91/89/43/506918943.db2.gz CTCXVOCRYIKSJI-UHFFFAOYSA-N 0 2 365.183 3.301 20 5 FGBDLN COC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCc2ccccc21 ZINC000600795344 507125346 /nfs/dbraw/zinc/12/53/46/507125346.db2.gz ZZLPJDJHFHGPRT-UGSOOPFHSA-N 0 2 370.405 3.465 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000598196883 507307351 /nfs/dbraw/zinc/30/73/51/507307351.db2.gz DAOBWYRUFNRAKU-OAHLLOKOSA-N 0 2 360.341 3.425 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000610657329 507334123 /nfs/dbraw/zinc/33/41/23/507334123.db2.gz AESFEHRZGAZCFW-UHFFFAOYSA-N 0 2 373.843 3.474 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH]nc1C(C)C ZINC000592385246 507633006 /nfs/dbraw/zinc/63/30/06/507633006.db2.gz XEZYTQKFKOXANT-UHFFFAOYSA-N 0 2 352.416 3.167 20 5 FGBDLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000497350435 561499013 /nfs/dbraw/zinc/49/90/13/561499013.db2.gz RADRKGJGDKUVRW-UHFFFAOYSA-N 0 2 364.317 3.033 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000079361265 700298354 /nfs/dbraw/zinc/29/83/54/700298354.db2.gz SKORNEOFJBMHBR-UHFFFAOYSA-N 0 2 372.834 3.443 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000619466360 714839680 /nfs/dbraw/zinc/83/96/80/714839680.db2.gz UJLVUVSLMLKIPF-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c(C)cccc1SC ZINC000619468358 714840188 /nfs/dbraw/zinc/84/01/88/714840188.db2.gz WJQYIJXNHRSOPH-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(N2CCCC2)cc1 ZINC000731780766 722478020 /nfs/dbraw/zinc/47/80/20/722478020.db2.gz FVAKSYLTJZCBKP-UHFFFAOYSA-N 0 2 361.423 3.304 20 5 FGBDLN CC[C@@](O)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000800525049 724208520 /nfs/dbraw/zinc/20/85/20/724208520.db2.gz QZUCMZXLHSJIAF-INIZCTEOSA-N 0 2 350.758 3.190 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cnn1CC(C)C ZINC000777936933 724273076 /nfs/dbraw/zinc/27/30/76/724273076.db2.gz GKBLZSPQEZRSAU-UHFFFAOYSA-N 0 2 370.406 3.004 20 5 FGBDLN O=c1[nH]nc([C@H]2CCCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000786558993 724988769 /nfs/dbraw/zinc/98/87/69/724988769.db2.gz CJYWMUYUMPZBSV-ZETCQYMHSA-N 0 2 358.185 3.109 20 5 FGBDLN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841138734 730215900 /nfs/dbraw/zinc/21/59/00/730215900.db2.gz GWGWOQOZNBQPSK-RLCGTCKNSA-N 0 2 369.208 3.403 20 5 FGBDLN CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1)O[C@H](C)C2 ZINC000029129790 493818397 /nfs/dbraw/zinc/81/83/97/493818397.db2.gz MAZRKNFMGITIEJ-SNVBAGLBSA-N 0 2 358.350 3.275 20 5 FGBDLN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068467375 493825846 /nfs/dbraw/zinc/82/58/46/493825846.db2.gz VVRDNLDFJSMXRG-LLVKDONJSA-N 0 2 354.366 3.161 20 5 FGBDLN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031076390 493922738 /nfs/dbraw/zinc/92/27/38/493922738.db2.gz DNOXWUVARBRVKG-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531168 494322171 /nfs/dbraw/zinc/32/21/71/494322171.db2.gz WQUMIPSCFYQXIQ-QMMMGPOBSA-N 0 2 354.721 3.499 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000092545867 494664804 /nfs/dbraw/zinc/66/48/04/494664804.db2.gz QPVZOFBQBKPAJD-UHFFFAOYSA-N 0 2 364.361 3.227 20 5 FGBDLN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000075434931 494762267 /nfs/dbraw/zinc/76/22/67/494762267.db2.gz NPQBUQKGCOJASM-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000102823762 495164826 /nfs/dbraw/zinc/16/48/26/495164826.db2.gz YWIQPSWAEWAVII-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN Cc1nc2cc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc2o1 ZINC000125098342 495390510 /nfs/dbraw/zinc/39/05/10/495390510.db2.gz FCVZBVVFGOBCTQ-UHFFFAOYSA-N 0 2 361.379 3.462 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000131223465 495508387 /nfs/dbraw/zinc/50/83/87/495508387.db2.gz NFSPCAVIDRBOOT-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000107354231 495526014 /nfs/dbraw/zinc/52/60/14/495526014.db2.gz RJQPPUIFBGRPHU-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179416312 495583142 /nfs/dbraw/zinc/58/31/42/495583142.db2.gz AKZYTABIVFWKNH-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000179539102 495633404 /nfs/dbraw/zinc/63/34/04/495633404.db2.gz MWEBYEYJDWOUED-KRWDZBQOSA-N 0 2 370.405 3.164 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)ccc1[N+](=O)[O-] ZINC000179546611 495635044 /nfs/dbraw/zinc/63/50/44/495635044.db2.gz NHNSEXJUQBABFQ-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000159306763 495706651 /nfs/dbraw/zinc/70/66/51/495706651.db2.gz LPCOSCSIPQVCJU-UHFFFAOYSA-N 0 2 368.389 3.344 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000176591360 495712043 /nfs/dbraw/zinc/71/20/43/495712043.db2.gz GIOLAZXQSXKYFO-UHFFFAOYSA-N 0 2 370.456 3.288 20 5 FGBDLN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000173869793 495727059 /nfs/dbraw/zinc/72/70/59/495727059.db2.gz QHAJKGBPXZBXEC-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000159933259 495844332 /nfs/dbraw/zinc/84/43/32/495844332.db2.gz XWOPVFMMHLPHBU-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000160181738 495903582 /nfs/dbraw/zinc/90/35/82/495903582.db2.gz IBMDYXCKSQRHBN-UHFFFAOYSA-N 0 2 352.416 3.009 20 5 FGBDLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000186607390 496070029 /nfs/dbraw/zinc/07/00/29/496070029.db2.gz HIEMERGYZCIVMX-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000180777476 496142364 /nfs/dbraw/zinc/14/23/64/496142364.db2.gz FRPCJZFHJZTBBR-UHFFFAOYSA-N 0 2 371.393 3.329 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1 ZINC000177773332 496190208 /nfs/dbraw/zinc/19/02/08/496190208.db2.gz AEEHAUWAIQDWRD-JTQLQIEISA-N 0 2 352.416 3.331 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1C ZINC000187717463 496544250 /nfs/dbraw/zinc/54/42/50/496544250.db2.gz ITTYVYNKZCHVGM-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000163951628 496572834 /nfs/dbraw/zinc/57/28/34/496572834.db2.gz UZCJFEMGVDBWNT-INIZCTEOSA-N 0 2 355.438 3.278 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000187841012 496591453 /nfs/dbraw/zinc/59/14/53/496591453.db2.gz NUYXNXIWSWXOEA-GDBMZVCRSA-N 0 2 360.410 3.445 20 5 FGBDLN CN(CCCOc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181907971 496595236 /nfs/dbraw/zinc/59/52/36/496595236.db2.gz FIHHCPKHFQAVDE-UHFFFAOYSA-N 0 2 364.785 3.495 20 5 FGBDLN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000179083845 496669328 /nfs/dbraw/zinc/66/93/28/496669328.db2.gz WJPAIMWBYMVAGQ-UHFFFAOYSA-N 0 2 355.441 3.140 20 5 FGBDLN CCSCc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000179098360 496673932 /nfs/dbraw/zinc/67/39/32/496673932.db2.gz CDJWMUUZOWMWOX-UHFFFAOYSA-N 0 2 367.452 3.352 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c1[N+](=O)[O-] ZINC000189269837 497065279 /nfs/dbraw/zinc/06/52/79/497065279.db2.gz XNMCKJJQFKNRRV-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)c1[N+](=O)[O-] ZINC000189282149 497068558 /nfs/dbraw/zinc/06/85/58/497068558.db2.gz AGEPNTYLUKVGAA-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000275155910 497245912 /nfs/dbraw/zinc/24/59/12/497245912.db2.gz SYDHEMQATFFPAK-ZDUSSCGKSA-N 0 2 372.377 3.228 20 5 FGBDLN CCOc1cccc2[nH]cc(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c21 ZINC000189987591 497316582 /nfs/dbraw/zinc/31/65/82/497316582.db2.gz NOKXZWJDJTWQKG-UHFFFAOYSA-N 0 2 355.350 3.362 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1C1CCCC1 ZINC000194230440 497609101 /nfs/dbraw/zinc/60/91/01/497609101.db2.gz BEYBLIDGCSVZBG-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC000191036547 497689247 /nfs/dbraw/zinc/68/92/47/497689247.db2.gz JADKVRISHYNZLC-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cc(F)c(O)c(F)c1 ZINC000581579989 506019530 /nfs/dbraw/zinc/01/95/30/506019530.db2.gz ATPXHIUWEZSWIA-UHFFFAOYSA-N 0 2 361.304 3.032 20 5 FGBDLN Cc1ccccc1[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000331499790 498351819 /nfs/dbraw/zinc/35/18/19/498351819.db2.gz HDCWYUHLYOJHPA-SUMWQHHRSA-N 0 2 356.378 3.211 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000581749211 506060029 /nfs/dbraw/zinc/06/00/29/506060029.db2.gz KCMGZXRIAYPCMB-UHFFFAOYSA-N 0 2 358.322 3.342 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000283143441 498796887 /nfs/dbraw/zinc/79/68/87/498796887.db2.gz ODDREMVZKKNMSX-CYBMUJFWSA-N 0 2 358.316 3.495 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1C ZINC000410404061 499660601 /nfs/dbraw/zinc/66/06/01/499660601.db2.gz NBMWGCOZSZBUFO-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c(C)cc1[N+](=O)[O-] ZINC000414372470 499782245 /nfs/dbraw/zinc/78/22/45/499782245.db2.gz BGBWKYKGZOJEQV-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000422053599 500206508 /nfs/dbraw/zinc/20/65/08/500206508.db2.gz UNKOJYYDGRXCGI-UHFFFAOYSA-N 0 2 372.377 3.122 20 5 FGBDLN O=C([O-])c1csc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000426639083 500299214 /nfs/dbraw/zinc/29/92/14/500299214.db2.gz LNRXWMJMNUVHKG-UHFFFAOYSA-N 0 2 359.363 3.299 20 5 FGBDLN O=C([O-])c1coc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000426686279 500306421 /nfs/dbraw/zinc/30/64/21/500306421.db2.gz DFTYHTIDAXQRIJ-UHFFFAOYSA-N 0 2 359.363 3.299 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1sc(C)cc1C ZINC000431169571 500345095 /nfs/dbraw/zinc/34/50/95/500345095.db2.gz MEFREWXZEPZACA-UHFFFAOYSA-N 0 2 356.425 3.473 20 5 FGBDLN CN(CCOc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436944418 500576276 /nfs/dbraw/zinc/57/62/76/500576276.db2.gz JZFGZHSYPXIBQV-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC000436967821 500581933 /nfs/dbraw/zinc/58/19/33/500581933.db2.gz ZFUJWYMXPANKKL-GFCCVEGCSA-N 0 2 371.393 3.389 20 5 FGBDLN COc1cc(C)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000447267788 500582278 /nfs/dbraw/zinc/58/22/78/500582278.db2.gz RIBQOZBPBFSMPR-UHFFFAOYSA-N 0 2 356.425 3.391 20 5 FGBDLN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(CC)CC ZINC000436973138 500583491 /nfs/dbraw/zinc/58/34/91/500583491.db2.gz RRXFHGPGYRUAGA-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](COC)Cc1ccccc1 ZINC000436980185 500585023 /nfs/dbraw/zinc/58/50/23/500585023.db2.gz MRXAAZIMKTYTPG-MRXNPFEDSA-N 0 2 358.394 3.020 20 5 FGBDLN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1O ZINC000438768142 500818662 /nfs/dbraw/zinc/81/86/62/500818662.db2.gz BQUGBVDRXHDLDM-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN CN(C)c1nc2cc(-c3noc(-c4ccc([N+](=O)[O-])c(O)c4)n3)ccc2o1 ZINC000445262117 500962292 /nfs/dbraw/zinc/96/22/92/500962292.db2.gz VFDDOLZXFYCICV-UHFFFAOYSA-N 0 2 367.321 3.225 20 5 FGBDLN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000440309947 500995323 /nfs/dbraw/zinc/99/53/23/500995323.db2.gz CGVZVPMMJBINDI-JTQLQIEISA-N 0 2 369.160 3.471 20 5 FGBDLN COC(=O)c1cc(NC(=O)c2cc(F)c(O)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000446158838 501083684 /nfs/dbraw/zinc/08/36/84/501083684.db2.gz URIMSZMXOJRMQF-UHFFFAOYSA-N 0 2 368.704 3.132 20 5 FGBDLN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436494608 501138467 /nfs/dbraw/zinc/13/84/67/501138467.db2.gz UBMRYMFXGGHBRL-AEFFLSMTSA-N 0 2 372.377 3.235 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2OCC2CC2)c1 ZINC000442220880 501208972 /nfs/dbraw/zinc/20/89/72/501208972.db2.gz QLDYCZZEMHOJII-UHFFFAOYSA-N 0 2 366.370 3.324 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1c(F)cccc1F ZINC000436828485 501218197 /nfs/dbraw/zinc/21/81/97/501218197.db2.gz IDKVPSDBSBSUKQ-UHFFFAOYSA-N 0 2 374.303 3.325 20 5 FGBDLN Cc1cc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)n[nH]1 ZINC000436871601 501225174 /nfs/dbraw/zinc/22/51/74/501225174.db2.gz OLGAJTJLZNINHG-UHFFFAOYSA-N 0 2 354.322 3.377 20 5 FGBDLN O=C(Nc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1O ZINC000436903401 501230326 /nfs/dbraw/zinc/23/03/26/501230326.db2.gz WGEXXMGMIZWLGL-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1 ZINC000436915223 501231891 /nfs/dbraw/zinc/23/18/91/501231891.db2.gz NSAKEJPAMKSFHN-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nc1C1CC1 ZINC000451050976 501241895 /nfs/dbraw/zinc/24/18/95/501241895.db2.gz ASPGKQDXAGMJQE-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000451062329 501242748 /nfs/dbraw/zinc/24/27/48/501242748.db2.gz NIZIENVFKHVEQL-CQSZACIVSA-N 0 2 362.407 3.208 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c1C ZINC000481609169 501831396 /nfs/dbraw/zinc/83/13/96/501831396.db2.gz XLJDLYVASYOAPN-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN CCCCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000486077139 502038602 /nfs/dbraw/zinc/03/86/02/502038602.db2.gz PXZRRXGOHLSZOE-FNORWQNLSA-N 0 2 361.354 3.154 20 5 FGBDLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OC ZINC000486104930 502048601 /nfs/dbraw/zinc/04/86/01/502048601.db2.gz WGCHLGLCKNFPDU-SNAWJCMRSA-N 0 2 367.745 3.027 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)cc1C ZINC000478694083 502059409 /nfs/dbraw/zinc/05/94/09/502059409.db2.gz QDHQQRNYTFSIQP-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000486805226 502268886 /nfs/dbraw/zinc/26/88/86/502268886.db2.gz WFQCIQYNCUTFLN-LLVKDONJSA-N 0 2 361.785 3.419 20 5 FGBDLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000469089743 502293862 /nfs/dbraw/zinc/29/38/62/502293862.db2.gz XGNLJMKUAYQDRI-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN CC(C)Cc1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000475832947 502304072 /nfs/dbraw/zinc/30/40/72/502304072.db2.gz NMBQDQFEATYMTN-UHFFFAOYSA-N 0 2 370.818 3.038 20 5 FGBDLN COc1ccc(C[C@@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC000483433800 502391470 /nfs/dbraw/zinc/39/14/70/502391470.db2.gz BQPMGVIKLHHVKH-LLVKDONJSA-N 0 2 360.366 3.135 20 5 FGBDLN COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])ccc3C)s[nH]2)c1 ZINC000476325961 502457158 /nfs/dbraw/zinc/45/71/58/502457158.db2.gz QYSVNJWPBNPIRQ-UHFFFAOYSA-N 0 2 370.390 3.105 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc3c2OCCC3)c1[N+](=O)[O-] ZINC000480200417 502500193 /nfs/dbraw/zinc/50/01/93/502500193.db2.gz QEQXBMYQKHJNCV-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c1C ZINC000480681692 502640678 /nfs/dbraw/zinc/64/06/78/502640678.db2.gz ZYLPPKXGZCVVBH-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1OC ZINC000509579796 502940555 /nfs/dbraw/zinc/94/05/55/502940555.db2.gz WPJBZJSFLPMCRI-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN CCCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000507001797 503209997 /nfs/dbraw/zinc/20/99/97/503209997.db2.gz LXQMXROCDBMNKH-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C)n[nH]2)cc1 ZINC000502675154 503249188 /nfs/dbraw/zinc/24/91/88/503249188.db2.gz HOISNRFFDPOURB-UHFFFAOYSA-N 0 2 369.337 3.075 20 5 FGBDLN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000499655582 503451209 /nfs/dbraw/zinc/45/12/09/503451209.db2.gz DSIXAJVHTUGFGY-UHFFFAOYSA-N 0 2 361.301 3.048 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2scnc2C2CC2)c1C ZINC000534237683 504080112 /nfs/dbraw/zinc/08/01/12/504080112.db2.gz ZRNXUUAMDDSDFB-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1[C@H](C)C1CC1 ZINC000541307263 504083093 /nfs/dbraw/zinc/08/30/93/504083093.db2.gz JVHHDMMWIDVTPI-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000548451630 504451356 /nfs/dbraw/zinc/45/13/56/504451356.db2.gz BRRHQOVCSZMKFW-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c2=O ZINC000520412201 504492644 /nfs/dbraw/zinc/49/26/44/504492644.db2.gz ZWZJXDNVWQHHGW-NSHDSACASA-N 0 2 352.350 3.043 20 5 FGBDLN COc1ccnc2c(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cccc12 ZINC000535766634 504537490 /nfs/dbraw/zinc/53/74/90/504537490.db2.gz QVOQMYBCHTWCNQ-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000542711163 504584265 /nfs/dbraw/zinc/58/42/65/504584265.db2.gz BLSWNJUFNRFRQD-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000552956211 504793649 /nfs/dbraw/zinc/79/36/49/504793649.db2.gz LVYYKRKUCKDWMW-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN CC1(C)[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OCc1ccccc1 ZINC000560647044 505152312 /nfs/dbraw/zinc/15/23/12/505152312.db2.gz SCVVPXRPOARJTG-ROUUACIJSA-N 0 2 370.405 3.414 20 5 FGBDLN COc1cc(C(=O)Nc2cccc(Cl)c2O)c([N+](=O)[O-])cc1OC ZINC000609921480 507050061 /nfs/dbraw/zinc/05/00/61/507050061.db2.gz AQHCQJXJGIIQBR-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN O=C(COCc1nc2ccccc2s1)Nc1cc([N+](=O)[O-])ccc1O ZINC000610578990 507300956 /nfs/dbraw/zinc/30/09/56/507300956.db2.gz LGZNRPLXIXLNOK-UHFFFAOYSA-N 0 2 359.363 3.065 20 5 FGBDLN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598224430 507327642 /nfs/dbraw/zinc/32/76/42/507327642.db2.gz SIDCLWVWJSTKKU-MRXNPFEDSA-N 0 2 374.368 3.432 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)c(C)c1[N+](=O)[O-] ZINC000598734305 507573614 /nfs/dbraw/zinc/57/36/14/507573614.db2.gz JZRQLQSQRHFKPB-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(C)C ZINC000592382491 507629956 /nfs/dbraw/zinc/62/99/56/507629956.db2.gz PAYCKTFKKDUAEC-GFCCVEGCSA-N 0 2 370.349 3.026 20 5 FGBDLN O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000585817654 507647465 /nfs/dbraw/zinc/64/74/65/507647465.db2.gz OMRJLNCKMOAZRT-UHFFFAOYSA-N 0 2 354.284 3.292 20 5 FGBDLN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404312 507664711 /nfs/dbraw/zinc/66/47/11/507664711.db2.gz GJTXKVPSVVEKBJ-VQIMIIECSA-N 0 2 357.454 3.047 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1[N+](=O)[O-] ZINC000093906541 700455901 /nfs/dbraw/zinc/45/59/01/700455901.db2.gz GVKQJRANOMXWKU-UHFFFAOYSA-N 0 2 369.330 3.060 20 5 FGBDLN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000130381187 700800918 /nfs/dbraw/zinc/80/09/18/700800918.db2.gz PUHPFYIANYZWEB-UHFFFAOYSA-N 0 2 354.771 3.252 20 5 FGBDLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000742029425 722551492 /nfs/dbraw/zinc/55/14/92/722551492.db2.gz AOKFKJSDNWVOKT-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c2n[nH]cc21 ZINC000768274274 723652467 /nfs/dbraw/zinc/65/24/67/723652467.db2.gz PVDLBAAIBVVEOP-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN CCCCOc1ccc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000775295310 723978831 /nfs/dbraw/zinc/97/88/31/723978831.db2.gz OFFLOHZLEOXVNE-UHFFFAOYSA-N 0 2 369.374 3.109 20 5 FGBDLN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000788299246 725056257 /nfs/dbraw/zinc/05/62/57/725056257.db2.gz QFWRNSCEHSFAHA-CQSZACIVSA-N 0 2 371.176 3.071 20 5 FGBDLN CS(=O)(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000916111009 758037700 /nfs/dbraw/zinc/03/77/00/758037700.db2.gz CIWSXBHAQUPKSG-UHFFFAOYSA-N 0 2 356.787 3.199 20 5 FGBDLN O=C(NCc1csc(Br)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031422405 493943177 /nfs/dbraw/zinc/94/31/77/493943177.db2.gz YKVMXEBNGXHHEL-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000005940219 493946527 /nfs/dbraw/zinc/94/65/27/493946527.db2.gz ANPBXBOALHHKDI-UHFFFAOYSA-N 0 2 356.429 3.151 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000032086633 493974253 /nfs/dbraw/zinc/97/42/53/493974253.db2.gz LJQHGTSTKMTHKQ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032585664 493997390 /nfs/dbraw/zinc/99/73/90/493997390.db2.gz FECTUZOMYGNCHD-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000066000737 494266871 /nfs/dbraw/zinc/26/68/71/494266871.db2.gz WTNDAOBEFSCKIR-NSHDSACASA-N 0 2 366.342 3.238 20 5 FGBDLN O=C(COc1ccc(C(F)(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531616 494321798 /nfs/dbraw/zinc/32/17/98/494321798.db2.gz AOIBZEPDMJMLKV-UHFFFAOYSA-N 0 2 356.256 3.337 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000016149124 494379996 /nfs/dbraw/zinc/37/99/96/494379996.db2.gz FNDMRFFDWNCBBE-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN CCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OCC ZINC000016645426 494399052 /nfs/dbraw/zinc/39/90/52/494399052.db2.gz RUWZDMIPQLNWRX-UHFFFAOYSA-N 0 2 374.393 3.070 20 5 FGBDLN CC(C)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000079252370 494424904 /nfs/dbraw/zinc/42/49/04/494424904.db2.gz GCQZNTDZPMTTHL-UHFFFAOYSA-N 0 2 361.832 3.051 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000577435447 505726244 /nfs/dbraw/zinc/72/62/44/505726244.db2.gz BBNOPDVJZHCIPV-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN Cc1ccn(-c2ccccc2NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000126109707 494639510 /nfs/dbraw/zinc/63/95/10/494639510.db2.gz GFDVTVHRUYCKMG-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCCN(CCC)C(=O)CCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546892 494666565 /nfs/dbraw/zinc/66/65/65/494666565.db2.gz XUVVQTBXTYITFW-UHFFFAOYSA-N 0 2 351.403 3.058 20 5 FGBDLN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000025149581 494704622 /nfs/dbraw/zinc/70/46/22/494704622.db2.gz JDPQDGFRPBDMGS-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccc(Cl)cc1 ZINC000075229708 494712010 /nfs/dbraw/zinc/71/20/10/494712010.db2.gz MGARRQHXTVNPRD-SNVBAGLBSA-N 0 2 350.758 3.151 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1OC(F)F ZINC000025299553 494718049 /nfs/dbraw/zinc/71/80/49/494718049.db2.gz XUBBEAQJTNWOOE-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000119021002 495071844 /nfs/dbraw/zinc/07/18/44/495071844.db2.gz UEFBVLUVWQCEDC-MRVPVSSYSA-N 0 2 360.313 3.052 20 5 FGBDLN CC(C)n1cc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000134043131 495098027 /nfs/dbraw/zinc/09/80/27/495098027.db2.gz OASVBKKZGQFPFN-UHFFFAOYSA-N 0 2 360.395 3.326 20 5 FGBDLN CSCc1nc2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000124968767 495371811 /nfs/dbraw/zinc/37/18/11/495371811.db2.gz YRWBSFZFVNVQEE-UHFFFAOYSA-N 0 2 372.406 3.152 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nccc(-c3ccco3)n2)cc1C ZINC000130626310 495421732 /nfs/dbraw/zinc/42/17/32/495421732.db2.gz PGIDYIXDMKYVPP-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CC(C)n1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)nc2ccccc21 ZINC000179508179 495621224 /nfs/dbraw/zinc/62/12/24/495621224.db2.gz LYKSUOJATHNNMR-UHFFFAOYSA-N 0 2 368.393 3.204 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000176592195 495711859 /nfs/dbraw/zinc/71/18/59/495711859.db2.gz ASARUCBXAZQPGW-UHFFFAOYSA-N 0 2 370.456 3.288 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000176594570 495713178 /nfs/dbraw/zinc/71/31/78/495713178.db2.gz OGNLSIISEOISRW-UHFFFAOYSA-N 0 2 370.456 3.459 20 5 FGBDLN O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000177053166 495903459 /nfs/dbraw/zinc/90/34/59/495903459.db2.gz ZTSHARWQEKDKSQ-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nnn1-c1cccc(Cl)c1 ZINC000180764045 496136248 /nfs/dbraw/zinc/13/62/48/496136248.db2.gz YJBNMBNZWJTXET-UHFFFAOYSA-N 0 2 373.756 3.095 20 5 FGBDLN Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183911358 496157096 /nfs/dbraw/zinc/15/70/96/496157096.db2.gz GOAYQUDCUSVWMQ-UHFFFAOYSA-N 0 2 355.354 3.187 20 5 FGBDLN CCc1ncsc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000162001197 496278313 /nfs/dbraw/zinc/27/83/13/496278313.db2.gz ARCWEHYDKRRBIM-UHFFFAOYSA-N 0 2 361.832 3.376 20 5 FGBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000162318144 496335067 /nfs/dbraw/zinc/33/50/67/496335067.db2.gz FFUFFZMXXJDFBJ-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C)c(O)c2C)c1C ZINC000178165314 496353503 /nfs/dbraw/zinc/35/35/03/496353503.db2.gz PHSREXGZNWLUSY-UHFFFAOYSA-N 0 2 350.396 3.335 20 5 FGBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Br ZINC000175393288 496371200 /nfs/dbraw/zinc/37/12/00/496371200.db2.gz WKSVABMIOVSJGK-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184743995 496515262 /nfs/dbraw/zinc/51/52/62/496515262.db2.gz YCRDLKCFVRQWIA-QGZVFWFLSA-N 0 2 356.378 3.293 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000187762759 496561977 /nfs/dbraw/zinc/56/19/77/496561977.db2.gz DLNLJWHNZCKVPZ-KRWDZBQOSA-N 0 2 370.405 3.164 20 5 FGBDLN COCCN(CCCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181936029 496604594 /nfs/dbraw/zinc/60/45/94/496604594.db2.gz GMKMSAMQPLPTAH-UHFFFAOYSA-N 0 2 358.394 3.022 20 5 FGBDLN O=C(N[C@H](c1nccs1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000181982098 496623685 /nfs/dbraw/zinc/62/36/85/496623685.db2.gz BPUYJMRKSFMBSQ-HNNXBMFYSA-N 0 2 355.375 3.276 20 5 FGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC000181997076 496628070 /nfs/dbraw/zinc/62/80/70/496628070.db2.gz PJKMAOVRJIYBNK-CYBMUJFWSA-N 0 2 358.394 3.402 20 5 FGBDLN CN(c1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000158155264 496639146 /nfs/dbraw/zinc/63/91/46/496639146.db2.gz BIDNXWPRDWNWKI-UHFFFAOYSA-N 0 2 355.394 3.041 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000182139922 496685399 /nfs/dbraw/zinc/68/53/99/496685399.db2.gz PTMAJRFVEKMTQT-KDOFPFPSSA-N 0 2 374.368 3.168 20 5 FGBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cnn1-c1ccccc1F ZINC000185262588 496719936 /nfs/dbraw/zinc/71/99/36/496719936.db2.gz FBRABADQPWTPEP-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000188632440 496859060 /nfs/dbraw/zinc/85/90/60/496859060.db2.gz OQAJONJMZUDLOK-LBPRGKRZSA-N 0 2 354.284 3.376 20 5 FGBDLN COCCc1ccccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000191889730 496921779 /nfs/dbraw/zinc/92/17/79/496921779.db2.gz YXBKCIZUKMTBHK-UHFFFAOYSA-N 0 2 364.423 3.201 20 5 FGBDLN Cc1nc2ccc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cc2o1 ZINC000189244538 497057456 /nfs/dbraw/zinc/05/74/56/497057456.db2.gz NCBNFHLPMQWWBZ-UHFFFAOYSA-N 0 2 361.379 3.462 20 5 FGBDLN C[C@@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000572098376 505888817 /nfs/dbraw/zinc/88/88/17/505888817.db2.gz IBEXMMCBNPHHQJ-SNVBAGLBSA-N 0 2 355.329 3.261 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000569340288 505911632 /nfs/dbraw/zinc/91/16/32/505911632.db2.gz FWEQMIUSAJCJGO-UHFFFAOYSA-N 0 2 352.416 3.091 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)cc1[N+](=O)[O-] ZINC000331378729 498311962 /nfs/dbraw/zinc/31/19/62/498311962.db2.gz FLVNPQWWZNFDJX-UHFFFAOYSA-N 0 2 370.456 3.386 20 5 FGBDLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000303636655 498699872 /nfs/dbraw/zinc/69/98/72/498699872.db2.gz RHNPEYIMPSAABA-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000295232675 498950974 /nfs/dbraw/zinc/95/09/74/498950974.db2.gz SZHUHXLUQQYBEK-GFCCVEGCSA-N 0 2 366.370 3.039 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000291926019 499104394 /nfs/dbraw/zinc/10/43/94/499104394.db2.gz RUIMUPOWLSBTIF-AWEZNQCLSA-N 0 2 372.381 3.318 20 5 FGBDLN CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cnn(C)c1 ZINC000372515955 499137270 /nfs/dbraw/zinc/13/72/70/499137270.db2.gz IOWAREKBZBEZOI-FXAWDEMLSA-N 0 2 371.485 3.233 20 5 FGBDLN Cc1ccc(OC(F)F)c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000582113167 506137162 /nfs/dbraw/zinc/13/71/62/506137162.db2.gz CGGADQDHGOKORU-UHFFFAOYSA-N 0 2 352.293 3.140 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OC(F)F)cn2)c1C ZINC000427660483 500418037 /nfs/dbraw/zinc/41/80/37/500418037.db2.gz SRCCZGNHFSMNPI-UHFFFAOYSA-N 0 2 373.337 3.009 20 5 FGBDLN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436952568 500577867 /nfs/dbraw/zinc/57/78/67/500577867.db2.gz XXGLWIFTCXYDDD-IRXDYDNUSA-N 0 2 360.341 3.090 20 5 FGBDLN COCc1cccc2sc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)nc21 ZINC000436958575 500579239 /nfs/dbraw/zinc/57/92/39/500579239.db2.gz BFEZRVURFZQIHS-UHFFFAOYSA-N 0 2 359.363 3.309 20 5 FGBDLN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)c(O)c(F)c1 ZINC000436968018 500581657 /nfs/dbraw/zinc/58/16/57/500581657.db2.gz RZVPJZLXBOOUER-UHFFFAOYSA-N 0 2 356.712 3.205 20 5 FGBDLN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436982600 500585940 /nfs/dbraw/zinc/58/59/40/500585940.db2.gz VIPCTXNIKQFXHW-GUYCJALGSA-N 0 2 360.341 3.090 20 5 FGBDLN COCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000435136844 500937159 /nfs/dbraw/zinc/93/71/59/500937159.db2.gz HXESKECVRAFCMU-UHFFFAOYSA-N 0 2 374.465 3.196 20 5 FGBDLN C[C@H]1CCCN(c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccn2)C1 ZINC000436638469 501175419 /nfs/dbraw/zinc/17/54/19/501175419.db2.gz FACXQEVUBFIQEF-LBPRGKRZSA-N 0 2 356.382 3.184 20 5 FGBDLN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000436668711 501183107 /nfs/dbraw/zinc/18/31/07/501183107.db2.gz DZBIXHQLPFIZES-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN Cc1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000446972177 501188807 /nfs/dbraw/zinc/18/88/07/501188807.db2.gz RJIGRJPQWVIPLL-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436833567 501218667 /nfs/dbraw/zinc/21/86/67/501218667.db2.gz JZWNRTISFGUNLO-HNNXBMFYSA-N 0 2 364.785 3.414 20 5 FGBDLN COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436838213 501219538 /nfs/dbraw/zinc/21/95/38/501219538.db2.gz IQXYYCGDLCWIIH-UHFFFAOYSA-N 0 2 358.350 3.463 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(OC[C@@H]2CCCO2)c1 ZINC000436867610 501224028 /nfs/dbraw/zinc/22/40/28/501224028.db2.gz DLKSYMUQQRGZOL-AWEZNQCLSA-N 0 2 372.377 3.419 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc1C1CC1 ZINC000451055530 501242344 /nfs/dbraw/zinc/24/23/44/501242344.db2.gz OMNGSBNEHAKFFM-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCC(F)F)cc1 ZINC000481969316 501932237 /nfs/dbraw/zinc/93/22/37/501932237.db2.gz CUTWABMNDWADFW-UHFFFAOYSA-N 0 2 358.322 3.040 20 5 FGBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000461117195 502017997 /nfs/dbraw/zinc/01/79/97/502017997.db2.gz QNXXUYFILUMULE-UHFFFAOYSA-N 0 2 363.782 3.019 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000478701706 502061569 /nfs/dbraw/zinc/06/15/69/502061569.db2.gz JELDEGDITDRXQJ-NSHDSACASA-N 0 2 364.427 3.316 20 5 FGBDLN Cc1c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2nn1C ZINC000461341545 502076393 /nfs/dbraw/zinc/07/63/93/502076393.db2.gz QPGQITPBBUKXOM-UHFFFAOYSA-N 0 2 374.422 3.208 20 5 FGBDLN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000461869784 502218617 /nfs/dbraw/zinc/21/86/17/502218617.db2.gz VEJVPWVQXLRILX-OAHLLOKOSA-N 0 2 370.409 3.419 20 5 FGBDLN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475826755 502302389 /nfs/dbraw/zinc/30/23/89/502302389.db2.gz IVMFSMWUFYZCQF-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CCCc1ccc(-c2cc(=NC(=O)c3cc(O)ccc3[N+](=O)[O-])[nH][nH]2)cc1 ZINC000483220265 502317147 /nfs/dbraw/zinc/31/71/47/502317147.db2.gz LAQYECRQJBMOPB-UHFFFAOYSA-N 0 2 366.377 3.317 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc(C)sc2C)c([N+](=O)[O-])c1 ZINC000483632396 502447577 /nfs/dbraw/zinc/44/75/77/502447577.db2.gz HDZQSZMJGJWIKZ-UHFFFAOYSA-N 0 2 356.425 3.473 20 5 FGBDLN CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000505993419 503026442 /nfs/dbraw/zinc/02/64/42/503026442.db2.gz WVFFDAJZMKALHD-UHFFFAOYSA-N 0 2 357.366 3.081 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000506126041 503053347 /nfs/dbraw/zinc/05/33/47/503053347.db2.gz QQZIEGFJKWOHIN-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN O=C(NCc1cc(Br)ccc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000506155370 503059421 /nfs/dbraw/zinc/05/94/21/503059421.db2.gz IDJIGMZCGRRCJC-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN COC(=O)c1cc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2o1 ZINC000506312049 503091667 /nfs/dbraw/zinc/09/16/67/503091667.db2.gz HWHBRUFYSHDGQC-UHFFFAOYSA-N 0 2 356.290 3.086 20 5 FGBDLN O=C(Cc1cscc1Br)Nc1cc([N+](=O)[O-])ccc1O ZINC000490603855 503202558 /nfs/dbraw/zinc/20/25/58/503202558.db2.gz GIIVEEUWWKKHLW-UHFFFAOYSA-N 0 2 357.185 3.306 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccc1F ZINC000507543840 503318569 /nfs/dbraw/zinc/31/85/69/503318569.db2.gz ALSKYRDOERPMDV-UHFFFAOYSA-N 0 2 366.370 3.354 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnn1CC(C)C ZINC000499294872 503373608 /nfs/dbraw/zinc/37/36/08/503373608.db2.gz DRUZVZKQYJAKNV-UHFFFAOYSA-N 0 2 372.834 3.210 20 5 FGBDLN CN(CCOc1ccccc1Cl)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000503688274 503459190 /nfs/dbraw/zinc/45/91/90/503459190.db2.gz PJRQMPJSGCALJB-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000540514363 503800505 /nfs/dbraw/zinc/80/05/05/503800505.db2.gz YBNZHQHDZDVFII-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CN(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1Cl ZINC000537767120 504033665 /nfs/dbraw/zinc/03/36/65/504033665.db2.gz FTWRUHIHLXRKBI-OAHLLOKOSA-N 0 2 367.764 3.334 20 5 FGBDLN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000538293469 504193969 /nfs/dbraw/zinc/19/39/69/504193969.db2.gz IMHFTCFHEHEDHG-UHFFFAOYSA-N 0 2 355.350 3.070 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000534801344 504245587 /nfs/dbraw/zinc/24/55/87/504245587.db2.gz CMNISUOWPWBWBY-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN O=C([O-])c1cnc(NCc2ccc(N3CCCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000519655650 504291166 /nfs/dbraw/zinc/29/11/66/504291166.db2.gz UDEJJHVYPIJTOE-UHFFFAOYSA-N 0 2 371.397 3.076 20 5 FGBDLN Cc1cc(Cl)ccc1S(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000535386394 504421164 /nfs/dbraw/zinc/42/11/64/504421164.db2.gz OOGVRKMORXVMHL-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN Cc1noc(-c2ccc(C)c(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)n1 ZINC000542618118 504554981 /nfs/dbraw/zinc/55/49/81/504554981.db2.gz IFBWJYKLJBLTGM-UHFFFAOYSA-N 0 2 354.322 3.220 20 5 FGBDLN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000553384079 504899659 /nfs/dbraw/zinc/89/96/59/504899659.db2.gz WZPFMEHTTYAOHC-SIXWZSSISA-N 0 2 370.405 3.382 20 5 FGBDLN O=C(NCC1(CCOCc2ccccc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560646078 505152530 /nfs/dbraw/zinc/15/25/30/505152530.db2.gz LIAGVKKRQRFSJG-UHFFFAOYSA-N 0 2 370.405 3.417 20 5 FGBDLN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000603671023 506592097 /nfs/dbraw/zinc/59/20/97/506592097.db2.gz RDEWJMSRIBBVKJ-UHFFFAOYSA-N 0 2 373.756 3.051 20 5 FGBDLN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000603670861 506592237 /nfs/dbraw/zinc/59/22/37/506592237.db2.gz CULFFFCTMSHQEE-UHFFFAOYSA-N 0 2 373.756 3.051 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000603976198 506678292 /nfs/dbraw/zinc/67/82/92/506678292.db2.gz XWBRJQNCLOXTMW-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN CC(C)COc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000603981793 506679840 /nfs/dbraw/zinc/67/98/40/506679840.db2.gz MZHJICPADKZZSA-UHFFFAOYSA-N 0 2 350.396 3.430 20 5 FGBDLN CC(C)(C)OC(=O)[C@@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC=CCC1 ZINC000593595944 506696394 /nfs/dbraw/zinc/69/63/94/506696394.db2.gz LQPZNTQWUNAUGQ-SFHVURJKSA-N 0 2 362.382 3.307 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000593734953 506754678 /nfs/dbraw/zinc/75/46/78/506754678.db2.gz POLYFFZUSOIZGR-QGZVFWFLSA-N 0 2 360.341 3.006 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1 ZINC000593734953 506754682 /nfs/dbraw/zinc/75/46/82/506754682.db2.gz POLYFFZUSOIZGR-QGZVFWFLSA-N 0 2 360.341 3.006 20 5 FGBDLN O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000604487388 506846485 /nfs/dbraw/zinc/84/64/85/506846485.db2.gz NJJBNZSFVZBOQV-UHFFFAOYSA-N 0 2 359.769 3.408 20 5 FGBDLN COc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1F ZINC000600776034 507114697 /nfs/dbraw/zinc/11/46/97/507114697.db2.gz KZCBJGJSVYPHDI-LBPRGKRZSA-N 0 2 360.341 3.078 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610657357 507334097 /nfs/dbraw/zinc/33/40/97/507334097.db2.gz FQNDNCUSXHYQTP-UHFFFAOYSA-N 0 2 359.816 3.166 20 5 FGBDLN Cc1noc(C[N@H+]2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595422798 507490031 /nfs/dbraw/zinc/49/00/31/507490031.db2.gz ONYYNLUOARQWMR-CQSZACIVSA-N 0 2 374.445 3.437 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598733465 507571984 /nfs/dbraw/zinc/57/19/84/507571984.db2.gz DWTJQJDCCLSCQL-UHFFFAOYSA-N 0 2 364.427 3.393 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)[nH]n2)c(C)c1[N+](=O)[O-] ZINC000598733465 507571991 /nfs/dbraw/zinc/57/19/91/507571991.db2.gz DWTJQJDCCLSCQL-UHFFFAOYSA-N 0 2 364.427 3.393 20 5 FGBDLN CCCc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000025146712 695673182 /nfs/dbraw/zinc/67/31/82/695673182.db2.gz PHMPVMKGOUGQAJ-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN CCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000083955228 700350710 /nfs/dbraw/zinc/35/07/10/700350710.db2.gz MAYXUAAIKWLGFB-UHFFFAOYSA-N 0 2 361.832 3.376 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cs1 ZINC000120048376 700646903 /nfs/dbraw/zinc/64/69/03/700646903.db2.gz MGQCJZFLEHNJAC-UHFFFAOYSA-N 0 2 374.450 3.037 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1Cl ZINC000619466270 714839250 /nfs/dbraw/zinc/83/92/50/714839250.db2.gz GAOKEXOZGBRIKD-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c(C)cc1C ZINC000619468346 714840229 /nfs/dbraw/zinc/84/02/29/714840229.db2.gz VNMVUEFCGYHVLM-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1cc(O)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000779843828 724430077 /nfs/dbraw/zinc/43/00/77/724430077.db2.gz LCAUFWXRNCZGRN-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN O=C(NCCSCc1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC000773589634 723803701 /nfs/dbraw/zinc/80/37/01/723803701.db2.gz OUTSQBXOJMDFMI-UHFFFAOYSA-N 0 2 367.814 3.012 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c(O)c1 ZINC000785490777 724916701 /nfs/dbraw/zinc/91/67/01/724916701.db2.gz DJGSOAHQAKCRBV-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cnc1Cl ZINC000788846931 725091476 /nfs/dbraw/zinc/09/14/76/725091476.db2.gz XGHFTHPOYLHBSI-UHFFFAOYSA-N 0 2 371.802 3.069 20 5 FGBDLN O=C(Nc1nc2ccc(Cl)nc2s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000816429453 727161936 /nfs/dbraw/zinc/16/19/36/727161936.db2.gz DMOPQKNTWQTPEV-UHFFFAOYSA-N 0 2 350.743 3.211 20 5 FGBDLN CSc1ccc(C[NH2+][C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000901940993 743683512 /nfs/dbraw/zinc/68/35/12/743683512.db2.gz QLVUEDMYRSTZHH-HNNXBMFYSA-N 0 2 352.437 3.468 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000075805972 493780068 /nfs/dbraw/zinc/78/00/68/493780068.db2.gz WZONHOAIIWIGDB-UHFFFAOYSA-N 0 2 359.357 3.156 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 ZINC000057734631 493792166 /nfs/dbraw/zinc/79/21/66/493792166.db2.gz ADOLSXUGQGVWMP-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccccc1Cl ZINC000059291754 493903576 /nfs/dbraw/zinc/90/35/76/493903576.db2.gz QGHBXVVFNJWFME-UHFFFAOYSA-N 0 2 356.787 3.199 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000031176243 493929668 /nfs/dbraw/zinc/92/96/68/493929668.db2.gz YBOODJQBZJATTE-UHFFFAOYSA-N 0 2 366.377 3.197 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000083955002 494039929 /nfs/dbraw/zinc/03/99/29/494039929.db2.gz LKOXEOKTKTTXPD-UHFFFAOYSA-N 0 2 358.807 3.135 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000066333588 494313574 /nfs/dbraw/zinc/31/35/74/494313574.db2.gz WTNDAOBEFSCKIR-LLVKDONJSA-N 0 2 366.342 3.238 20 5 FGBDLN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540821 494321812 /nfs/dbraw/zinc/32/18/12/494321812.db2.gz PMQMGMSSUNXXDI-UHFFFAOYSA-N 0 2 353.334 3.445 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000093930729 494936427 /nfs/dbraw/zinc/93/64/27/494936427.db2.gz RUCGKRLQACKHLL-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN Cc1nc(C(C)(C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])sc1C ZINC000122415124 494971257 /nfs/dbraw/zinc/97/12/57/494971257.db2.gz PALFQTWPCSPYGW-UHFFFAOYSA-N 0 2 373.431 3.021 20 5 FGBDLN Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000134688939 495187414 /nfs/dbraw/zinc/18/74/14/495187414.db2.gz JJLNVCHMTDPDQR-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129837952 495303210 /nfs/dbraw/zinc/30/32/10/495303210.db2.gz RHFUVNAPSZSTRG-CABZTGNLSA-N 0 2 350.733 3.379 20 5 FGBDLN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2F)n1 ZINC000130654991 495425473 /nfs/dbraw/zinc/42/54/73/495425473.db2.gz LPZXHLLRBSHZBN-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000179447226 495595221 /nfs/dbraw/zinc/59/52/21/495595221.db2.gz JMNWHNCIGPRGQS-LJQANCHMSA-N 0 2 363.373 3.347 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2noc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000182944348 495769565 /nfs/dbraw/zinc/76/95/65/495769565.db2.gz HDNKBYCLJCPRMT-UHFFFAOYSA-N 0 2 374.806 3.038 20 5 FGBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000174011537 495787017 /nfs/dbraw/zinc/78/70/17/495787017.db2.gz VSULDUZFXCXYPP-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN O=C(Nc1cc(Br)ccc1F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183454032 495990303 /nfs/dbraw/zinc/99/03/03/495990303.db2.gz YXOMJOWLTOTBRC-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN COc1cccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c(C)[nH]2)c1 ZINC000180770264 496139938 /nfs/dbraw/zinc/13/99/38/496139938.db2.gz XHGYWOTUEKBCPQ-UHFFFAOYSA-N 0 2 368.349 3.260 20 5 FGBDLN COc1cccc(-c2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)[nH]2)c1 ZINC000180770264 496139942 /nfs/dbraw/zinc/13/99/42/496139942.db2.gz XHGYWOTUEKBCPQ-UHFFFAOYSA-N 0 2 368.349 3.260 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cc(F)cc(F)c3)ccc2c1 ZINC000156173278 496178325 /nfs/dbraw/zinc/17/83/25/496178325.db2.gz LYYNQEYJFPNEDH-UHFFFAOYSA-N 0 2 365.317 3.222 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)ccc1[N+](=O)[O-] ZINC000181107878 496272556 /nfs/dbraw/zinc/27/25/56/496272556.db2.gz YGHNAVLVWIYWTM-UHFFFAOYSA-N 0 2 364.427 3.095 20 5 FGBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000187156223 496317247 /nfs/dbraw/zinc/31/72/47/496317247.db2.gz YHVOJDYQXVIYBN-GTNSWQLSSA-N 0 2 360.341 3.042 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000175277280 496319838 /nfs/dbraw/zinc/31/98/38/496319838.db2.gz MWISNNXBCOMXBR-KRWDZBQOSA-N 0 2 370.405 3.164 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000157522555 496495021 /nfs/dbraw/zinc/49/50/21/496495021.db2.gz XKUFBNQXMJZSCP-LLVKDONJSA-N 0 2 369.377 3.140 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1C ZINC000187736819 496551726 /nfs/dbraw/zinc/55/17/26/496551726.db2.gz PRBKYDOBHJRTHQ-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1-c1ncco1 ZINC000164658333 496625680 /nfs/dbraw/zinc/62/56/80/496625680.db2.gz QHBUIJHLZURTIL-UHFFFAOYSA-N 0 2 365.392 3.421 20 5 FGBDLN CCCc1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000175993897 496634653 /nfs/dbraw/zinc/63/46/53/496634653.db2.gz MHUCASKUFQMXEU-UHFFFAOYSA-N 0 2 358.383 3.041 20 5 FGBDLN O=C(N[C@@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000185192232 496698626 /nfs/dbraw/zinc/69/86/26/496698626.db2.gz NMGHCYLECGOHSQ-OAHLLOKOSA-N 0 2 355.375 3.276 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cccc1[N+](=O)[O-] ZINC000188263334 496733149 /nfs/dbraw/zinc/73/31/49/496733149.db2.gz UPBUFNUMAOTGAT-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1C[C@H]1CCCO1 ZINC000194903874 496755973 /nfs/dbraw/zinc/75/59/73/496755973.db2.gz FYPKQWMMIADBFL-FZKQIMNGSA-N 0 2 369.377 3.046 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2scnc2c1 ZINC000195107406 496822379 /nfs/dbraw/zinc/82/23/79/496822379.db2.gz JQHBEJBYGFFZPQ-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN Cc1ccc(O)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000195656330 496957986 /nfs/dbraw/zinc/95/79/86/496957986.db2.gz WEIFNENYXGCIDR-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1COC1CCOCC1 ZINC000271518751 497370994 /nfs/dbraw/zinc/37/09/94/497370994.db2.gz MIAAMSZVVDCKGF-UHFFFAOYSA-N 0 2 372.377 3.248 20 5 FGBDLN COc1cccc(C)c1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000194214810 497603485 /nfs/dbraw/zinc/60/34/85/497603485.db2.gz KFTDWOPNZQRANV-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)[C@@H]1C[C@@H]1C ZINC000294228404 498626681 /nfs/dbraw/zinc/62/66/81/498626681.db2.gz RJDNROHZVIGYKD-APPDUMDISA-N 0 2 369.377 3.314 20 5 FGBDLN Cc1ccc(CS(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000579156636 506105944 /nfs/dbraw/zinc/10/59/44/506105944.db2.gz GGABELBUTSLDIP-UHFFFAOYSA-N 0 2 360.395 3.030 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(C3(c4ccccc4)CCOCC3)no2)cc1O ZINC000579285682 506136055 /nfs/dbraw/zinc/13/60/55/506136055.db2.gz YJWGMQRWCNUGEW-UHFFFAOYSA-N 0 2 367.361 3.447 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000367618665 499218665 /nfs/dbraw/zinc/21/86/65/499218665.db2.gz UBPKCERRDGKGQS-GFCCVEGCSA-N 0 2 368.798 3.229 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367672715 499223554 /nfs/dbraw/zinc/22/35/54/499223554.db2.gz RZRWJQJCIFYDGS-UHFFFAOYSA-N 0 2 354.454 3.395 20 5 FGBDLN O=C(c1cccs1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000372240438 499412112 /nfs/dbraw/zinc/41/21/12/499412112.db2.gz IOMFKVDKYAPUPE-UHFFFAOYSA-N 0 2 360.391 3.097 20 5 FGBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408430073 499588357 /nfs/dbraw/zinc/58/83/57/499588357.db2.gz PAHFEMUCGOLEOA-UHYGZKCKSA-N 0 2 360.410 3.110 20 5 FGBDLN CC(C)Oc1cc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)ccc1[N+](=O)[O-] ZINC000411971391 499807587 /nfs/dbraw/zinc/80/75/87/499807587.db2.gz JEAHXEHOUFCPGI-UHFFFAOYSA-N 0 2 364.427 3.205 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416261500 499998998 /nfs/dbraw/zinc/99/89/98/499998998.db2.gz VCBLWVWFPWNUAH-CYBMUJFWSA-N 0 2 362.332 3.426 20 5 FGBDLN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000422053858 500206660 /nfs/dbraw/zinc/20/66/60/500206660.db2.gz UVWXQRBIEQUTGX-UHFFFAOYSA-N 0 2 372.377 3.122 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC000582321229 506186748 /nfs/dbraw/zinc/18/67/48/506186748.db2.gz IRWAWAKLBGCWBO-BBATYDOGSA-N 0 2 369.377 3.314 20 5 FGBDLN O=C(NCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000436950634 500577448 /nfs/dbraw/zinc/57/74/48/500577448.db2.gz NPQWWIMTWBFGLH-UHFFFAOYSA-N 0 2 355.375 3.354 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000442826383 500631998 /nfs/dbraw/zinc/63/19/98/500631998.db2.gz JCNLNNBNWQLWEF-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2c(C)cc(N(C)C)cc2C)c([N+](=O)[O-])c1 ZINC000443415248 500721620 /nfs/dbraw/zinc/72/16/20/500721620.db2.gz HIAOYVREQNWDHQ-UHFFFAOYSA-N 0 2 363.439 3.387 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc3[nH]ccc3cc2C)c([N+](=O)[O-])c1 ZINC000436187226 501085963 /nfs/dbraw/zinc/08/59/63/501085963.db2.gz PEZGXSOKXSVUKU-UHFFFAOYSA-N 0 2 361.379 3.194 20 5 FGBDLN CC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000436683667 501187912 /nfs/dbraw/zinc/18/79/12/501187912.db2.gz ZRGLKTHNKRQEDE-UHFFFAOYSA-N 0 2 351.318 3.304 20 5 FGBDLN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cc([N+](=O)[O-])ccc1O ZINC000436815039 501216134 /nfs/dbraw/zinc/21/61/34/501216134.db2.gz UFXDWRKRNPFSJY-GOSISDBHSA-N 0 2 368.389 3.124 20 5 FGBDLN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454968174 501663417 /nfs/dbraw/zinc/66/34/17/501663417.db2.gz FMBLKKGJJMVFJY-HNNXBMFYSA-N 0 2 367.409 3.096 20 5 FGBDLN CC(C)(C)c1nc(=NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)s[nH]1 ZINC000467352878 501776067 /nfs/dbraw/zinc/77/60/67/501776067.db2.gz IBCODYGTSIFMBS-UHFFFAOYSA-N 0 2 369.834 3.141 20 5 FGBDLN CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000470844769 501827106 /nfs/dbraw/zinc/82/71/06/501827106.db2.gz OPJMFPUXPVPBBM-UHFFFAOYSA-N 0 2 370.390 3.186 20 5 FGBDLN Cc1c2ccc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cc2nn1C ZINC000461334405 502074688 /nfs/dbraw/zinc/07/46/88/502074688.db2.gz WMHHALUWEXQVCP-UHFFFAOYSA-N 0 2 374.422 3.208 20 5 FGBDLN CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000468766450 502175810 /nfs/dbraw/zinc/17/58/10/502175810.db2.gz BDUNOAHFMAEARM-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN CCC(CC)c1cc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])on1 ZINC000462422958 502432746 /nfs/dbraw/zinc/43/27/46/502432746.db2.gz VUZDMAWWZNLDLU-UHFFFAOYSA-N 0 2 371.390 3.104 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC000476261916 502434819 /nfs/dbraw/zinc/43/48/19/502434819.db2.gz UADLSGRUORLUOJ-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000480227404 502506719 /nfs/dbraw/zinc/50/67/19/502506719.db2.gz QTZDCQYXTLDGTQ-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484146936 502583203 /nfs/dbraw/zinc/58/32/03/502583203.db2.gz UYMKIUGZZWUYHM-UHFFFAOYSA-N 0 2 354.359 3.322 20 5 FGBDLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000509560250 502935320 /nfs/dbraw/zinc/93/53/20/502935320.db2.gz RQDMNSVZYCSQNY-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CC(C)(C)c1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000506025569 503031844 /nfs/dbraw/zinc/03/18/44/503031844.db2.gz ACXIPNWXASIXDP-UHFFFAOYSA-N 0 2 358.394 3.407 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000499500636 503419791 /nfs/dbraw/zinc/41/97/91/503419791.db2.gz DCCMXVLXONAXBY-UHFFFAOYSA-N 0 2 366.370 3.421 20 5 FGBDLN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000512749608 503624732 /nfs/dbraw/zinc/62/47/32/503624732.db2.gz PPGBZAVOZQOVKI-MGPLVRAMSA-N 0 2 364.785 3.460 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])cc1OC ZINC000540170145 503696026 /nfs/dbraw/zinc/69/60/26/503696026.db2.gz YZOUKAYOEHJGJF-AWEZNQCLSA-N 0 2 372.377 3.295 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000537395850 503899687 /nfs/dbraw/zinc/89/96/87/503899687.db2.gz IEPAWZBJKPWTFS-UHFFFAOYSA-N 0 2 372.349 3.214 20 5 FGBDLN CC1(C)Cc2cccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3O)c2O1 ZINC000534068720 504031788 /nfs/dbraw/zinc/03/17/88/504031788.db2.gz XVHIIPXAEASCQH-UHFFFAOYSA-N 0 2 358.350 3.031 20 5 FGBDLN Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c2=O ZINC000520412200 504492065 /nfs/dbraw/zinc/49/20/65/504492065.db2.gz ZWZJXDNVWQHHGW-LLVKDONJSA-N 0 2 352.350 3.043 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000542740404 504592631 /nfs/dbraw/zinc/59/26/31/504592631.db2.gz JKKJFJCMAUYQOW-PBHICJAKSA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(c1cc2ccccc2c2cccnc12)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539923017 504739485 /nfs/dbraw/zinc/73/94/85/504739485.db2.gz HQIVFSUFELAJFD-UHFFFAOYSA-N 0 2 373.416 3.232 20 5 FGBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000556351447 504852363 /nfs/dbraw/zinc/85/23/63/504852363.db2.gz ZQIHCTHZHSDJAX-UHFFFAOYSA-N 0 2 353.375 3.227 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1C ZINC000550482195 505052084 /nfs/dbraw/zinc/05/20/84/505052084.db2.gz NSINKSQOVMEXEH-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2CCC(C)C)c1C ZINC000557328833 505107853 /nfs/dbraw/zinc/10/78/53/505107853.db2.gz OPBFTFTVYMSKNZ-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000560517903 505111226 /nfs/dbraw/zinc/11/12/26/505111226.db2.gz HNTGUYUFXBDMIN-UHFFFAOYSA-N 0 2 372.377 3.437 20 5 FGBDLN CC(C)(C)OC(=O)CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000566284130 505133181 /nfs/dbraw/zinc/13/31/81/505133181.db2.gz SIBMMWDOMLPSSG-UHFFFAOYSA-N 0 2 350.371 3.141 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](OCc2ccccc2F)C1 ZINC000560691025 505162592 /nfs/dbraw/zinc/16/25/92/505162592.db2.gz DAPHBTURKOAVGI-HNNXBMFYSA-N 0 2 374.368 3.261 20 5 FGBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nn1-c1cc(C)cc(C)c1 ZINC000552429965 505490490 /nfs/dbraw/zinc/49/04/90/505490490.db2.gz TZMKSIMGBDMMGD-UHFFFAOYSA-N 0 2 366.377 3.086 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000564969937 505564343 /nfs/dbraw/zinc/56/43/43/505564343.db2.gz GEGKDEOSHRURGT-UHFFFAOYSA-N 0 2 364.427 3.046 20 5 FGBDLN CC1(c2nc(=NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)s[nH]2)CC1 ZINC000600228615 506859379 /nfs/dbraw/zinc/85/93/79/506859379.db2.gz OCKLULPUNMHGGB-UHFFFAOYSA-N 0 2 360.420 3.387 20 5 FGBDLN CCOCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000600448266 506959275 /nfs/dbraw/zinc/95/92/75/506959275.db2.gz RMSCRCBJDZSQCB-KRWDZBQOSA-N 0 2 370.405 3.467 20 5 FGBDLN O=C(N[C@H](c1ccccc1)C1(CO)CCCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597851948 507133367 /nfs/dbraw/zinc/13/33/67/507133367.db2.gz JIWQMOSVSDNXFU-GOSISDBHSA-N 0 2 370.405 3.324 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CCC(C)C)s1 ZINC000594726004 507257031 /nfs/dbraw/zinc/25/70/31/507257031.db2.gz KDZZWBACEHEQMA-UHFFFAOYSA-N 0 2 370.456 3.144 20 5 FGBDLN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000598222792 507326631 /nfs/dbraw/zinc/32/66/31/507326631.db2.gz BLIZYZOBLADQCZ-QGZVFWFLSA-N 0 2 374.368 3.432 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1C ZINC000592353598 507615095 /nfs/dbraw/zinc/61/50/95/507615095.db2.gz AAIFOISREOSRCI-UHFFFAOYSA-N 0 2 366.443 3.263 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1Cc2cccc(Br)c2C1 ZINC000586808447 507679831 /nfs/dbraw/zinc/67/98/31/507679831.db2.gz RWYWNHQAZKZMAL-UHFFFAOYSA-N 0 2 363.167 3.219 20 5 FGBDLN CN(C)c1cccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c1 ZINC000492974530 561453881 /nfs/dbraw/zinc/45/38/81/561453881.db2.gz AZBMHJGJJQWFGD-UHFFFAOYSA-N 0 2 372.406 3.010 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000120036826 700646466 /nfs/dbraw/zinc/64/64/66/700646466.db2.gz PVTXYOHWTNVUPN-UHFFFAOYSA-N 0 2 362.458 3.041 20 5 FGBDLN CCCN1Cc2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2C1 ZINC000120139353 700649166 /nfs/dbraw/zinc/64/91/66/700649166.db2.gz VYPVLTGXCWZRPR-UHFFFAOYSA-N 0 2 367.452 3.183 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)C=Cc3ccc(F)cc3)c2c1 ZINC000179534555 705704255 /nfs/dbraw/zinc/70/42/55/705704255.db2.gz BVJOTAVPGFAMEO-BQYQJAHWSA-N 0 2 362.342 3.023 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000180776934 705756770 /nfs/dbraw/zinc/75/67/70/705756770.db2.gz DXCIYJQBOPUHGG-UHFFFAOYSA-N 0 2 356.363 3.027 20 5 FGBDLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000526005345 714395569 /nfs/dbraw/zinc/39/55/69/714395569.db2.gz ZFQMLSWXZAEHPI-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN COc1cc(O)cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1 ZINC000783844049 724795364 /nfs/dbraw/zinc/79/53/64/724795364.db2.gz BATALSYRAILUSK-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)c1scnc1Br ZINC000754060073 722925335 /nfs/dbraw/zinc/92/53/35/722925335.db2.gz MLJMQQWIRWSVRS-UHFFFAOYSA-N 0 2 364.127 3.344 20 5 FGBDLN O=C([O-])CC1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000901418380 743274992 /nfs/dbraw/zinc/27/49/92/743274992.db2.gz CKHBPDRNNZXWBF-UHFFFAOYSA-N 0 2 363.233 3.106 20 5 FGBDLN C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901695758 743621595 /nfs/dbraw/zinc/62/15/95/743621595.db2.gz LSZSFBVKABUGPE-GFCCVEGCSA-N 0 2 363.233 3.106 20 5 FGBDLN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901695758 743621603 /nfs/dbraw/zinc/62/16/03/743621603.db2.gz LSZSFBVKABUGPE-GFCCVEGCSA-N 0 2 363.233 3.106 20 5 FGBDLN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1OC ZINC000573598312 505575383 /nfs/dbraw/zinc/57/53/83/505575383.db2.gz YODXNUXUMYQWEI-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(C)c(OC)c2C)c([N+](=O)[O-])c1 ZINC000031722590 493957350 /nfs/dbraw/zinc/95/73/50/493957350.db2.gz ASABGFMMSYZUQT-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000007054256 493996906 /nfs/dbraw/zinc/99/69/06/493996906.db2.gz JHYAKXHKAQZWJV-UHFFFAOYSA-N 0 2 362.285 3.120 20 5 FGBDLN CCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000014256221 494312666 /nfs/dbraw/zinc/31/26/66/494312666.db2.gz VAJKFOGZQOQXDP-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cccc1Br ZINC000089541026 494321781 /nfs/dbraw/zinc/32/17/81/494321781.db2.gz JZSOJGLZOSSXSO-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000017919101 494420589 /nfs/dbraw/zinc/42/05/89/494420589.db2.gz VEEZZLQFKGCKDO-UHFFFAOYSA-N 0 2 354.284 3.292 20 5 FGBDLN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(Cl)c1 ZINC000075214737 494707043 /nfs/dbraw/zinc/70/70/43/494707043.db2.gz MXARYJXZTRPMKL-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC)cn1 ZINC000116603616 494823676 /nfs/dbraw/zinc/82/36/76/494823676.db2.gz GQMMKSDMSQWBBL-UHFFFAOYSA-N 0 2 353.425 3.075 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000119665527 495213359 /nfs/dbraw/zinc/21/33/59/495213359.db2.gz HYXPJIAFPASNKQ-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)c3ccc(F)c(Cl)c3)c2c1 ZINC000135529500 495307330 /nfs/dbraw/zinc/30/73/30/495307330.db2.gz JEVCKIDXSPVXJO-UHFFFAOYSA-N 0 2 370.749 3.064 20 5 FGBDLN O=C(N[C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000130077541 495338390 /nfs/dbraw/zinc/33/83/90/495338390.db2.gz XIRBRNDDQLJNBZ-QAPCUYQASA-N 0 2 356.378 3.168 20 5 FGBDLN O=C(COc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000120867195 495475267 /nfs/dbraw/zinc/47/52/67/495475267.db2.gz GQSWEDUKKLPKTP-UHFFFAOYSA-N 0 2 367.155 3.080 20 5 FGBDLN CCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC000171345886 495830660 /nfs/dbraw/zinc/83/06/60/495830660.db2.gz DUBBJSDILZSFEV-UHFFFAOYSA-N 0 2 367.452 3.183 20 5 FGBDLN CCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC000171345886 495830664 /nfs/dbraw/zinc/83/06/64/495830664.db2.gz DUBBJSDILZSFEV-UHFFFAOYSA-N 0 2 367.452 3.183 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]n1 ZINC000159959198 495850306 /nfs/dbraw/zinc/85/03/06/495850306.db2.gz DRUFAAVUMKTAAR-UHFFFAOYSA-N 0 2 352.416 3.078 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000160592371 495998374 /nfs/dbraw/zinc/99/83/74/495998374.db2.gz BREQKMHYRMRQLV-UHFFFAOYSA-N 0 2 367.390 3.077 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000187019759 496254323 /nfs/dbraw/zinc/25/43/23/496254323.db2.gz WSDYZQSUNHPWMH-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000184271995 496312874 /nfs/dbraw/zinc/31/28/74/496312874.db2.gz ZFLDGVVMGAFCIG-OAHLLOKOSA-N 0 2 355.394 3.041 20 5 FGBDLN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000162504721 496364722 /nfs/dbraw/zinc/36/47/22/496364722.db2.gz QSOIATYAIMYXPB-LLVKDONJSA-N 0 2 357.366 3.081 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000162945654 496437570 /nfs/dbraw/zinc/43/75/70/496437570.db2.gz LHIWWIUBNXEDHV-JTQLQIEISA-N 0 2 352.416 3.331 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c1C ZINC000153577337 496503938 /nfs/dbraw/zinc/50/39/38/496503938.db2.gz OVPILKRVVGLRCV-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184795467 496535141 /nfs/dbraw/zinc/53/51/41/496535141.db2.gz ZKSDLXIDZVHUOI-QGZVFWFLSA-N 0 2 355.394 3.344 20 5 FGBDLN CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187812195 496581030 /nfs/dbraw/zinc/58/10/30/496581030.db2.gz MKPVAKICTHDJSL-UHFFFAOYSA-N 0 2 367.365 3.392 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ncccc12 ZINC000184924387 496587874 /nfs/dbraw/zinc/58/78/74/496587874.db2.gz UPPPGSNAKLYSGH-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000182020903 496638522 /nfs/dbraw/zinc/63/85/22/496638522.db2.gz IEEKJRSVZGWIBZ-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN CCc1noc(C)c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000164894085 496638580 /nfs/dbraw/zinc/63/85/80/496638580.db2.gz CNXBCYUPJPWEOY-UHFFFAOYSA-N 0 2 359.791 3.216 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccco1)Cc1cccnc1 ZINC000182160877 496692740 /nfs/dbraw/zinc/69/27/40/496692740.db2.gz RQTKOHGECLFBMS-UHFFFAOYSA-N 0 2 353.334 3.131 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000188239237 496721542 /nfs/dbraw/zinc/72/15/42/496721542.db2.gz VILMQVLMJLWNPA-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273621892 496856292 /nfs/dbraw/zinc/85/62/92/496856292.db2.gz ZJIWTHYPCINBHX-KDOFPFPSSA-N 0 2 374.368 3.432 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1[N+](=O)[O-] ZINC000191739681 496873442 /nfs/dbraw/zinc/87/34/42/496873442.db2.gz NLXLFMUHMLNITL-UHFFFAOYSA-N 0 2 367.452 3.348 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000189270749 497065518 /nfs/dbraw/zinc/06/55/18/497065518.db2.gz SLWYSAFKVPGURQ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189512307 497145514 /nfs/dbraw/zinc/14/55/14/497145514.db2.gz SHIGBKZPBGSLRH-LJQANCHMSA-N 0 2 358.394 3.104 20 5 FGBDLN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271276686 497309172 /nfs/dbraw/zinc/30/91/72/497309172.db2.gz NDXYUIPPFNZGOV-MRXNPFEDSA-N 0 2 366.377 3.164 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(OCc2ccccc2)CCOCC1 ZINC000271554079 497380934 /nfs/dbraw/zinc/38/09/34/497380934.db2.gz PLIJEYXVNAEXPF-UHFFFAOYSA-N 0 2 372.377 3.005 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H](c3nnc[nH]3)c3ccccc3)c2c1 ZINC000572201714 505912630 /nfs/dbraw/zinc/91/26/30/505912630.db2.gz PQUYIBANQFPFRA-SFHVURJKSA-N 0 2 362.393 3.116 20 5 FGBDLN CCOc1cccc(N(C)Cc2nc(=O)c3sccc3[nH]2)c1[N+](=O)[O-] ZINC000290592036 498611600 /nfs/dbraw/zinc/61/16/00/498611600.db2.gz XQJAQEZJMPLGCH-UHFFFAOYSA-N 0 2 360.395 3.340 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)[C@H]1C[C@H]1C ZINC000294221738 498624408 /nfs/dbraw/zinc/62/44/08/498624408.db2.gz QUVJHMMYMJTHJZ-BZNIZROVSA-N 0 2 369.377 3.314 20 5 FGBDLN Cc1ccc(-c2cnccn2)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000373633556 499481040 /nfs/dbraw/zinc/48/10/40/499481040.db2.gz ZVOSJQBKDGWACV-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1F ZINC000410409396 499660868 /nfs/dbraw/zinc/66/08/68/499660868.db2.gz UPFCTMGPBIWKIP-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000410407679 499660873 /nfs/dbraw/zinc/66/08/73/499660873.db2.gz YHVPERYJFIAMEI-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1C ZINC000414387604 499784923 /nfs/dbraw/zinc/78/49/23/499784923.db2.gz YQAQELBUUPQRHL-LBPRGKRZSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c(C)cc1[N+](=O)[O-] ZINC000414442709 499792606 /nfs/dbraw/zinc/79/26/06/499792606.db2.gz MJXCNYWOXKKLOI-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN COC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000426511236 500282419 /nfs/dbraw/zinc/28/24/19/500282419.db2.gz QWUSDARNICTCHI-CYBMUJFWSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C([O-])[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(O)cc1 ZINC000426792565 500321458 /nfs/dbraw/zinc/32/14/58/500321458.db2.gz MTMWDCNTPFPOID-GOSISDBHSA-N 0 2 368.345 3.476 20 5 FGBDLN COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1OC(C)C ZINC000427010138 500344381 /nfs/dbraw/zinc/34/43/81/500344381.db2.gz VNKQEXJZXVVDQH-UHFFFAOYSA-N 0 2 374.349 3.127 20 5 FGBDLN COc1ccc(OC)c(CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)c1 ZINC000436957158 500579265 /nfs/dbraw/zinc/57/92/65/500579265.db2.gz WDSGFSKDGQWSLI-UHFFFAOYSA-N 0 2 372.377 3.122 20 5 FGBDLN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436973901 500583465 /nfs/dbraw/zinc/58/34/65/500583465.db2.gz VGQDGBAGRUPBDA-WMZOPIPTSA-N 0 2 356.378 3.259 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000436971572 500583960 /nfs/dbraw/zinc/58/39/60/500583960.db2.gz KAPNSKQSFQLHIO-UHFFFAOYSA-N 0 2 370.405 3.248 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000437169863 500609639 /nfs/dbraw/zinc/60/96/39/500609639.db2.gz FDBLHODXUWFTDV-UHFFFAOYSA-N 0 2 370.456 3.288 20 5 FGBDLN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000438054068 500731675 /nfs/dbraw/zinc/73/16/75/500731675.db2.gz WKUVZMQUYYINMZ-RHSMWYFYSA-N 0 2 350.415 3.404 20 5 FGBDLN CC(C)c1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1[N+](=O)[O-] ZINC000438967186 500841813 /nfs/dbraw/zinc/84/18/13/500841813.db2.gz VXFQGBRUTONAQY-UHFFFAOYSA-N 0 2 369.406 3.306 20 5 FGBDLN O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000444616445 500867548 /nfs/dbraw/zinc/86/75/48/500867548.db2.gz IPBOZRBTMHJVQK-UHFFFAOYSA-N 0 2 351.322 3.086 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000434971993 500917521 /nfs/dbraw/zinc/91/75/21/500917521.db2.gz LVGGTZHZMUTEPQ-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(F)(F)F)cc1 ZINC000436625296 501172806 /nfs/dbraw/zinc/17/28/06/501172806.db2.gz DHKCRSBJNDTFSR-CQSZACIVSA-N 0 2 370.283 3.342 20 5 FGBDLN COc1cc(OC)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000436637100 501175201 /nfs/dbraw/zinc/17/52/01/501175201.db2.gz VYWNRKICBNOIFD-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436671003 501184263 /nfs/dbraw/zinc/18/42/63/501184263.db2.gz TWNKINYSPAOQMS-NSHDSACASA-N 0 2 354.366 3.161 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)[C@H]1C[C@@H]1C ZINC000436740473 501201509 /nfs/dbraw/zinc/20/15/09/501201509.db2.gz QURLRMPXXBDPNB-GTNSWQLSSA-N 0 2 369.377 3.314 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCn2c(cc3ccccc32)C1 ZINC000436748364 501203023 /nfs/dbraw/zinc/20/30/23/501203023.db2.gz PADXAYRPAYDDCH-UHFFFAOYSA-N 0 2 351.362 3.301 20 5 FGBDLN O=C(NCc1nc(-c2ccccc2F)cs1)c1cc([N+](=O)[O-])ccc1O ZINC000436831752 501218469 /nfs/dbraw/zinc/21/84/69/501218469.db2.gz GIHAVOCDCYRPNE-UHFFFAOYSA-N 0 2 373.365 3.493 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1 ZINC000436915362 501231724 /nfs/dbraw/zinc/23/17/24/501231724.db2.gz ODTJIEDMJBCQMY-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1C1CC1 ZINC000451055514 501242333 /nfs/dbraw/zinc/24/23/33/501242333.db2.gz OLLAZHAIFCBITF-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC(C)C)c1 ZINC000451088961 501244739 /nfs/dbraw/zinc/24/47/39/501244739.db2.gz LVOPZBQQENLEFP-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592827854 506267644 /nfs/dbraw/zinc/26/76/44/506267644.db2.gz RAHBPPQWZOLQER-GOSISDBHSA-N 0 2 370.405 3.104 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCCC3)c(Cl)c1 ZINC000464541581 502022472 /nfs/dbraw/zinc/02/24/72/502022472.db2.gz UVIOQGJYSDNSNU-UHFFFAOYSA-N 0 2 368.798 3.374 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccncc3)cc2F)[nH]1 ZINC000486030305 502023785 /nfs/dbraw/zinc/02/37/85/502023785.db2.gz WDBPFTLFAIFNGK-ARJAWSKDSA-N 0 2 354.297 3.168 20 5 FGBDLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(C)c1OC(F)F ZINC000486050783 502030988 /nfs/dbraw/zinc/03/09/88/502030988.db2.gz IZFVVWDCRYCDOZ-ONEGZZNKSA-N 0 2 353.281 3.185 20 5 FGBDLN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000592880932 506289842 /nfs/dbraw/zinc/28/98/42/506289842.db2.gz PXEATJBMCRAJAY-DIFFPNOSSA-N 0 2 360.341 3.042 20 5 FGBDLN CCCc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000486114781 502051148 /nfs/dbraw/zinc/05/11/48/502051148.db2.gz CIDZHLYOGMADIJ-UHFFFAOYSA-N 0 2 371.440 3.122 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000478704859 502063433 /nfs/dbraw/zinc/06/34/33/502063433.db2.gz QHIMLWBSTXPILY-JTQLQIEISA-N 0 2 364.427 3.316 20 5 FGBDLN COc1cc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc([N+](=O)[O-])c1C ZINC000479628818 502324097 /nfs/dbraw/zinc/32/40/97/502324097.db2.gz YXYVBLLRJCRTFJ-UHFFFAOYSA-N 0 2 370.390 3.105 20 5 FGBDLN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000480005570 502443913 /nfs/dbraw/zinc/44/39/13/502443913.db2.gz YUQDCEVFMINRHL-YJBOKZPZSA-N 0 2 356.378 3.259 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cnn1CC(C)C ZINC000480225076 502506192 /nfs/dbraw/zinc/50/61/92/502506192.db2.gz LZZMZRXXTRKKCC-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000473526234 502623580 /nfs/dbraw/zinc/62/35/80/502623580.db2.gz PZOKVTUSZUZMLT-INIZCTEOSA-N 0 2 358.394 3.068 20 5 FGBDLN CCc1ccccc1S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000488288517 502677657 /nfs/dbraw/zinc/67/76/57/502677657.db2.gz DNWZMISOUHDXGE-UHFFFAOYSA-N 0 2 372.406 3.348 20 5 FGBDLN CCc1ccccc1S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000488288517 502677662 /nfs/dbraw/zinc/67/76/62/502677662.db2.gz DNWZMISOUHDXGE-UHFFFAOYSA-N 0 2 372.406 3.348 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000466964917 502740555 /nfs/dbraw/zinc/74/05/55/502740555.db2.gz RFIWMNKRXAMZSE-UHFFFAOYSA-N 0 2 372.424 3.173 20 5 FGBDLN CCCCOc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000506511150 503128358 /nfs/dbraw/zinc/12/83/58/503128358.db2.gz NBCPOJNMWGGHJT-UHFFFAOYSA-N 0 2 374.393 3.418 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccn(CCC(C)C)n2)cc1[N+](=O)[O-] ZINC000491587446 503321598 /nfs/dbraw/zinc/32/15/98/503321598.db2.gz YBILSGZDTYSBKX-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000499072367 503327074 /nfs/dbraw/zinc/32/70/74/503327074.db2.gz NSQDITMYNWTKRS-LLVKDONJSA-N 0 2 352.350 3.061 20 5 FGBDLN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000503496048 503421623 /nfs/dbraw/zinc/42/16/23/503421623.db2.gz RFXZHUNEAWIYQT-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000536702137 503688796 /nfs/dbraw/zinc/68/87/96/503688796.db2.gz BRNMIVDSSFOXSP-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000517257329 503695830 /nfs/dbraw/zinc/69/58/30/503695830.db2.gz KMKJVIVENQFYKG-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN CN(Cc1csc(Br)c1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000540548359 503813714 /nfs/dbraw/zinc/81/37/14/503813714.db2.gz IZVNCVGQBQRXDY-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN COc1ccc(Cl)cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537774701 504036620 /nfs/dbraw/zinc/03/66/20/504036620.db2.gz PJPXRSDBPUMFMI-UHFFFAOYSA-N 0 2 351.746 3.013 20 5 FGBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(F)c(O)c1F ZINC000554828549 505274098 /nfs/dbraw/zinc/27/40/98/505274098.db2.gz PFQLVWIBGHRBPM-UHFFFAOYSA-N 0 2 354.284 3.032 20 5 FGBDLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000564728435 505504738 /nfs/dbraw/zinc/50/47/38/505504738.db2.gz IHPHELZCUNELKP-LBPRGKRZSA-N 0 2 352.416 3.199 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000612427353 506575147 /nfs/dbraw/zinc/57/51/47/506575147.db2.gz LUFHXZRTUPXHQZ-OAHLLOKOSA-N 0 2 370.361 3.049 20 5 FGBDLN CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603982535 506680222 /nfs/dbraw/zinc/68/02/22/506680222.db2.gz QNKLJTUURPQMPH-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1C1CCOCC1 ZINC000597441200 506955417 /nfs/dbraw/zinc/95/54/17/506955417.db2.gz FDROGUFLHNLKQU-UHFFFAOYSA-N 0 2 359.382 3.323 20 5 FGBDLN CCOCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCc2ccccc21 ZINC000600451189 506959125 /nfs/dbraw/zinc/95/91/25/506959125.db2.gz ZPRDOOCGCXZBMW-SFHVURJKSA-N 0 2 370.405 3.467 20 5 FGBDLN CC(C)(C(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc([N+](=O)[O-])cc1 ZINC000610041096 507079612 /nfs/dbraw/zinc/07/96/12/507079612.db2.gz QYMPZZICJBOWSR-UHFFFAOYSA-N 0 2 368.418 3.452 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000610194427 507133742 /nfs/dbraw/zinc/13/37/42/507133742.db2.gz FKQFUYUKPHWGLS-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCc1ccccc1F ZINC000594706492 507246467 /nfs/dbraw/zinc/24/64/67/507246467.db2.gz RTIAIHYWCQXZCW-UHFFFAOYSA-N 0 2 368.386 3.117 20 5 FGBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1cccc(Br)c1 ZINC000610543577 507284267 /nfs/dbraw/zinc/28/42/67/507284267.db2.gz NUJZGFWEUCPCIE-UHFFFAOYSA-N 0 2 360.167 3.498 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c(C)c1[N+](=O)[O-] ZINC000598715177 507565505 /nfs/dbraw/zinc/56/55/05/507565505.db2.gz XAXVLODXKVYCAR-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN CCC1CCC([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)(C(=O)[O-])CC1 ZINC000829108190 601496204 /nfs/dbraw/zinc/49/62/04/601496204.db2.gz VTUHVSZYFUHRCK-UHFFFAOYSA-N 0 2 374.397 3.158 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1[N+](=O)[O-] ZINC000093930685 700456697 /nfs/dbraw/zinc/45/66/97/700456697.db2.gz WFOTXZDQXBKNEW-UHFFFAOYSA-N 0 2 371.758 3.266 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000131583139 700817132 /nfs/dbraw/zinc/81/71/32/700817132.db2.gz NRYARCPRBITJBR-UHFFFAOYSA-N 0 2 364.814 3.178 20 5 FGBDLN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171342491 705381281 /nfs/dbraw/zinc/38/12/81/705381281.db2.gz DXCSBYDVERPVDW-SECBINFHSA-N 0 2 370.818 3.217 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2O)cc([N+](=O)[O-])c1F ZINC000180081449 705727072 /nfs/dbraw/zinc/72/70/72/705727072.db2.gz NXFSZWSJOUJAAS-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1[N+](=O)[O-] ZINC000524024610 714264451 /nfs/dbraw/zinc/26/44/51/714264451.db2.gz LQLOQFYMMSFNOI-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN COc1c(C)ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1C ZINC000619466808 714839763 /nfs/dbraw/zinc/83/97/63/714839763.db2.gz USWBBGWLEHJVBR-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000731783536 722478082 /nfs/dbraw/zinc/47/80/82/722478082.db2.gz NXALJBJUYPHXDO-UHFFFAOYSA-N 0 2 373.793 3.254 20 5 FGBDLN CC[C@](O)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000800533400 724209759 /nfs/dbraw/zinc/20/97/59/724209759.db2.gz NLWBXSGLJMYNDR-MRXNPFEDSA-N 0 2 350.758 3.190 20 5 FGBDLN CSc1cc(Br)ccc1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000848617111 731188178 /nfs/dbraw/zinc/18/81/78/731188178.db2.gz ANZVLRSFCKRTMI-RKDXNWHRSA-N 0 2 356.201 3.354 20 5 FGBDLN COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1SC ZINC000057558872 493773545 /nfs/dbraw/zinc/77/35/45/493773545.db2.gz ZVWSLWVCPZFDFZ-UHFFFAOYSA-N 0 2 362.407 3.303 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(C)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057722021 493789933 /nfs/dbraw/zinc/78/99/33/493789933.db2.gz IBPPPEOHOXOCST-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000060436905 493932967 /nfs/dbraw/zinc/93/29/67/493932967.db2.gz DRZJSVZMSVGXCG-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1F ZINC000060443289 493934015 /nfs/dbraw/zinc/93/40/15/493934015.db2.gz AAPQGGYXXDYMNP-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031606823 493951236 /nfs/dbraw/zinc/95/12/36/493951236.db2.gz OSTKBTMJPFGNSQ-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN CCCc1ccccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000032098359 493975117 /nfs/dbraw/zinc/97/51/17/493975117.db2.gz JDYJMYYTMAANIS-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(Cl)c2O)cc1C ZINC000076937837 493992379 /nfs/dbraw/zinc/99/23/79/493992379.db2.gz REAUSQICVZGJAQ-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000083955997 494041065 /nfs/dbraw/zinc/04/10/65/494041065.db2.gz WWNVBURTAVGTEK-UHFFFAOYSA-N 0 2 362.458 3.212 20 5 FGBDLN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000089530914 494321981 /nfs/dbraw/zinc/32/19/81/494321981.db2.gz JJAMBEXZEVWEHD-QMTHXVAHSA-N 0 2 355.350 3.147 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1SC ZINC000055556686 494360301 /nfs/dbraw/zinc/36/03/01/494360301.db2.gz GWVURBUESPCWIB-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 ZINC000055619351 494373809 /nfs/dbraw/zinc/37/38/09/494373809.db2.gz HDGXVGOEMHIPQC-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN CCOc1ncccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000055636111 494378745 /nfs/dbraw/zinc/37/87/45/494378745.db2.gz RBWQTZBCJSMPEE-UHFFFAOYSA-N 0 2 371.802 3.151 20 5 FGBDLN O=C(Cc1cccc(Br)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546181 494664525 /nfs/dbraw/zinc/66/45/25/494664525.db2.gz NNNFXKAXORREAK-UHFFFAOYSA-N 0 2 351.156 3.244 20 5 FGBDLN CC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000118976658 495063167 /nfs/dbraw/zinc/06/31/67/495063167.db2.gz PEKLZQZSNDGIHM-UHFFFAOYSA-N 0 2 369.424 3.032 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000119419763 495163691 /nfs/dbraw/zinc/16/36/91/495163691.db2.gz LGRNDQXSKXIOOV-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000123691204 495171600 /nfs/dbraw/zinc/17/16/00/495171600.db2.gz XWAFLJAXTYFKKF-DTWKUNHWSA-N 0 2 370.324 3.133 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nnn1-c1ccccc1Cl ZINC000124974620 495372170 /nfs/dbraw/zinc/37/21/70/495372170.db2.gz AKXWGNMMNSFDQS-UHFFFAOYSA-N 0 2 373.756 3.095 20 5 FGBDLN Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000106724171 495489426 /nfs/dbraw/zinc/48/94/26/495489426.db2.gz XODCEERWAROVNY-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000179480744 495607734 /nfs/dbraw/zinc/60/77/34/495607734.db2.gz MFTUPPQGXHLZTL-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN COc1ccc2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(C)nc2c1 ZINC000183898476 496152656 /nfs/dbraw/zinc/15/26/56/496152656.db2.gz DRRRQXBPQSYTPV-UHFFFAOYSA-N 0 2 353.334 3.418 20 5 FGBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000152651611 496214605 /nfs/dbraw/zinc/21/46/05/496214605.db2.gz NBRYGJAVAQUJQF-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000187156201 496317265 /nfs/dbraw/zinc/31/72/65/496317265.db2.gz YHVOJDYQXVIYBN-DIFFPNOSSA-N 0 2 360.341 3.042 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000162683507 496395698 /nfs/dbraw/zinc/39/56/98/496395698.db2.gz WGVWLZQGYDKURN-SNVBAGLBSA-N 0 2 352.416 3.331 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2n[nH]c3c2cccc3Cl)cc1[N+](=O)[O-] ZINC000153435463 496455257 /nfs/dbraw/zinc/45/52/57/496455257.db2.gz KHIPEJJEYHVLED-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN COc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184816047 496543089 /nfs/dbraw/zinc/54/30/89/496543089.db2.gz UWUTWZUKBMAJHG-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000181947784 496609190 /nfs/dbraw/zinc/60/91/90/496609190.db2.gz VBOSYFUQTOWQHJ-ZDUSSCGKSA-N 0 2 371.393 3.180 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000182085124 496664811 /nfs/dbraw/zinc/66/48/11/496664811.db2.gz OAESQKODRXYDJP-NHYWBVRUSA-N 0 2 362.407 3.090 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179096142 496672293 /nfs/dbraw/zinc/67/22/93/496672293.db2.gz DVQGCEPRZDVWCL-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000580908362 505865615 /nfs/dbraw/zinc/86/56/15/505865615.db2.gz JTYGMBJIYUCNKV-CYBMUJFWSA-N 0 2 358.394 3.260 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1[N+](=O)[O-] ZINC000191772827 496884452 /nfs/dbraw/zinc/88/44/52/496884452.db2.gz DFSVABZGECTDAL-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1F ZINC000189341242 497086842 /nfs/dbraw/zinc/08/68/42/497086842.db2.gz NRLOUDKELFIBFD-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569248253 505888516 /nfs/dbraw/zinc/88/85/16/505888516.db2.gz LITCQRBPUJHXAV-UHFFFAOYSA-N 0 2 372.425 3.495 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000192710518 497191758 /nfs/dbraw/zinc/19/17/58/497191758.db2.gz VUETVBCUMNMIAF-UHFFFAOYSA-N 0 2 358.322 3.073 20 5 FGBDLN CC(C)CCn1nccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000578290276 505905930 /nfs/dbraw/zinc/90/59/30/505905930.db2.gz IVMQIZIRHXZRLD-UHFFFAOYSA-N 0 2 372.834 3.292 20 5 FGBDLN O=C(NCc1ccc(Br)c(F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000581088066 505907059 /nfs/dbraw/zinc/90/70/59/505907059.db2.gz KNYWKMMQUOTWCF-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000272566547 497665165 /nfs/dbraw/zinc/66/51/65/497665165.db2.gz BFIDLKMWLDDPLY-UHFFFAOYSA-N 0 2 372.377 3.358 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)c1 ZINC000194646614 497728386 /nfs/dbraw/zinc/72/83/86/497728386.db2.gz YYWKIVQCILYFRS-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000578394593 505929679 /nfs/dbraw/zinc/92/96/79/505929679.db2.gz YOZGVXIMEKVFCB-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN CN(C)c1ncc(Br)c(/C=C\c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000572306172 505937769 /nfs/dbraw/zinc/93/77/69/505937769.db2.gz RIXJBMNJGVTMCA-HYXAFXHYSA-N 0 2 365.187 3.089 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000364285689 497879281 /nfs/dbraw/zinc/87/92/81/497879281.db2.gz ABDXBNBDMYOEED-UHFFFAOYSA-N 0 2 359.769 3.278 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2ccccn2)cn1 ZINC000362097729 498464106 /nfs/dbraw/zinc/46/41/06/498464106.db2.gz JKIPPRFIVAMXBL-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000290442980 498554670 /nfs/dbraw/zinc/55/46/70/498554670.db2.gz BKYHSOGOVIWDBF-CQSZACIVSA-N 0 2 372.381 3.318 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(Sc2ccccn2)CC1 ZINC000371882155 499375165 /nfs/dbraw/zinc/37/51/65/499375165.db2.gz AIFNFVZAOUVSFK-UHFFFAOYSA-N 0 2 359.407 3.092 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OCc2ccccc2F)CC1 ZINC000375380502 499512289 /nfs/dbraw/zinc/51/22/89/499512289.db2.gz WMIWLDIUCNDPPA-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(Sc2ccccn2)CC1 ZINC000378551503 499530970 /nfs/dbraw/zinc/53/09/70/499530970.db2.gz JJNSGGIPWZMADV-UHFFFAOYSA-N 0 2 359.407 3.092 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000376062778 499579885 /nfs/dbraw/zinc/57/98/85/499579885.db2.gz VNNICLCTDACVEP-KBXCAEBGSA-N 0 2 374.368 3.168 20 5 FGBDLN O=C(NCC1(c2c(F)cccc2F)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000413945988 500103638 /nfs/dbraw/zinc/10/36/38/500103638.db2.gz NYFIXCNMZCDRJK-UHFFFAOYSA-N 0 2 362.332 3.430 20 5 FGBDLN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436952571 500577657 /nfs/dbraw/zinc/57/76/57/500577657.db2.gz XXGLWIFTCXYDDD-SJORKVTESA-N 0 2 360.341 3.090 20 5 FGBDLN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436965687 500581605 /nfs/dbraw/zinc/58/16/05/500581605.db2.gz LQEOAKISCDMWBO-QGZVFWFLSA-N 0 2 356.378 3.459 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2)c1 ZINC000436968181 500582119 /nfs/dbraw/zinc/58/21/19/500582119.db2.gz SUXJGWFGXMFHPF-CYBMUJFWSA-N 0 2 355.394 3.392 20 5 FGBDLN COc1cc2nc(C)sc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436980418 500585338 /nfs/dbraw/zinc/58/53/38/500585338.db2.gz PYLWEAJGJCPESY-UHFFFAOYSA-N 0 2 359.363 3.479 20 5 FGBDLN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000437337206 500632338 /nfs/dbraw/zinc/63/23/38/500632338.db2.gz NELIBIPQJKJLAJ-UHFFFAOYSA-N 0 2 359.404 3.289 20 5 FGBDLN Cc1cccc(C)c1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445328244 500974409 /nfs/dbraw/zinc/97/44/09/500974409.db2.gz OJVBWVYELQTKGD-UHFFFAOYSA-N 0 2 368.349 3.148 20 5 FGBDLN CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cc(Cl)c1O ZINC000445409842 500981406 /nfs/dbraw/zinc/98/14/06/500981406.db2.gz WYUPCTDZYBFVGL-UHFFFAOYSA-N 0 2 350.718 3.398 20 5 FGBDLN CCCc1c(Nc2ncc([N+](=O)[O-])c(C)n2)cnn1-c1cc(C)ccn1 ZINC000450442647 501122391 /nfs/dbraw/zinc/12/23/91/501122391.db2.gz YFPXEEAHZLEQBI-UHFFFAOYSA-N 0 2 353.386 3.278 20 5 FGBDLN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436494611 501138571 /nfs/dbraw/zinc/13/85/71/501138571.db2.gz UBMRYMFXGGHBRL-SJLPKXTDSA-N 0 2 372.377 3.235 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1OC(F)F ZINC000436517553 501145783 /nfs/dbraw/zinc/14/57/83/501145783.db2.gz OJVFNGVVHFNTBH-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CCOc1cc2c(cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1)O[C@H](C)C2 ZINC000436635363 501174584 /nfs/dbraw/zinc/17/45/84/501174584.db2.gz PGNIXXSGPKBQJK-SNVBAGLBSA-N 0 2 358.350 3.275 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(OC(F)F)cc1 ZINC000436864434 501223366 /nfs/dbraw/zinc/22/33/66/501223366.db2.gz ZDSMAEGUKLGACZ-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(N2CCCC2)c1 ZINC000436870528 501225146 /nfs/dbraw/zinc/22/51/46/501225146.db2.gz MJQCSVRKXSILPZ-CYBMUJFWSA-N 0 2 355.394 3.392 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436892475 501228362 /nfs/dbraw/zinc/22/83/62/501228362.db2.gz JORMHLDRQYVZTI-ZBFHGGJFSA-N 0 2 362.769 3.214 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436921993 501233227 /nfs/dbraw/zinc/23/32/27/501233227.db2.gz LPAAIXANFCWCTB-UONOGXRCSA-N 0 2 364.304 3.188 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CCCC3=O)cc1[N+](=O)[O-] ZINC000451077954 501243827 /nfs/dbraw/zinc/24/38/27/501243827.db2.gz LQKHYJAAFHMQBK-UHFFFAOYSA-N 0 2 366.420 3.285 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)cc1F ZINC000471121749 501926876 /nfs/dbraw/zinc/92/68/76/501926876.db2.gz SYPWYVAIYJPQBM-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3c2OCCC3)c1C ZINC000464549792 502024260 /nfs/dbraw/zinc/02/42/60/502024260.db2.gz MGYVIGZKFNWGQL-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC000461202128 502036113 /nfs/dbraw/zinc/03/61/13/502036113.db2.gz WSXUEFLOBWUCNS-UHFFFAOYSA-N 0 2 361.423 3.286 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000478672198 502051992 /nfs/dbraw/zinc/05/19/92/502051992.db2.gz BWVDBHWBDYTHRJ-SNVBAGLBSA-N 0 2 350.400 3.008 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nn1[C@@H](C)C1CC1 ZINC000582569513 506300663 /nfs/dbraw/zinc/30/06/63/506300663.db2.gz RPWVBAOBLVJYOV-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461958922 502253480 /nfs/dbraw/zinc/25/34/80/502253480.db2.gz PWKDDQXAJYXJOI-UHFFFAOYSA-N 0 2 371.319 3.130 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(F)cc(Cl)c1 ZINC000465425994 502257280 /nfs/dbraw/zinc/25/72/80/502257280.db2.gz GYEZMEWFXWVKHD-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN COC(C)(C)c1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000486808934 502269952 /nfs/dbraw/zinc/26/99/52/502269952.db2.gz LRSCVQRAVFAWRJ-UHFFFAOYSA-N 0 2 351.384 3.199 20 5 FGBDLN COc1cccc(-c2nc(=NC(=O)c3cccc([N+](=O)[O-])c3C)s[nH]2)c1 ZINC000476326397 502457444 /nfs/dbraw/zinc/45/74/44/502457444.db2.gz RWPSJQUWMKTACQ-UHFFFAOYSA-N 0 2 370.390 3.105 20 5 FGBDLN O=C(NCCc1ccccc1C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000469563029 502463662 /nfs/dbraw/zinc/46/36/62/502463662.db2.gz ANUYBGDSXKIEMK-UHFFFAOYSA-N 0 2 354.284 3.292 20 5 FGBDLN COc1ccccc1CC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000469653554 502492630 /nfs/dbraw/zinc/49/26/30/502492630.db2.gz LPIQJTMVLZLRAQ-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000484436958 502642252 /nfs/dbraw/zinc/64/22/52/502642252.db2.gz FZIGBPWMVQCKCN-UHFFFAOYSA-N 0 2 366.443 3.399 20 5 FGBDLN CC(C)(C)CCOc1cnccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588793797 506339264 /nfs/dbraw/zinc/33/92/64/506339264.db2.gz NFIYAJIYJJHTQH-UHFFFAOYSA-N 0 2 373.409 3.440 20 5 FGBDLN CCCOc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000505295949 502884590 /nfs/dbraw/zinc/88/45/90/502884590.db2.gz OGMKPGGWWKQOBZ-UHFFFAOYSA-N 0 2 360.366 3.028 20 5 FGBDLN COc1ccc(Cl)cc1CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505586522 502941424 /nfs/dbraw/zinc/94/14/24/502941424.db2.gz UTGDVXJEFFNKOB-UHFFFAOYSA-N 0 2 350.758 3.235 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1C ZINC000509589558 502942941 /nfs/dbraw/zinc/94/29/41/502942941.db2.gz KIEHMYWZSMERQM-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C ZINC000499294675 503373734 /nfs/dbraw/zinc/37/37/34/503373734.db2.gz DBDZYYHJMNWMJG-UHFFFAOYSA-N 0 2 366.443 3.119 20 5 FGBDLN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000508441519 503494249 /nfs/dbraw/zinc/49/42/49/503494249.db2.gz IPWAMQCXUCPAJK-LBPRGKRZSA-N 0 2 371.393 3.215 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503945134 503495098 /nfs/dbraw/zinc/49/50/98/503495098.db2.gz MBQJUAFLDFVIDU-GDBMZVCRSA-N 0 2 362.769 3.214 20 5 FGBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000518336655 503955353 /nfs/dbraw/zinc/95/53/53/503955353.db2.gz FFOLVWDUFTYEDC-UHFFFAOYSA-N 0 2 371.403 3.330 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc(-c2ncccc2F)n1 ZINC000537768069 504033520 /nfs/dbraw/zinc/03/35/20/504033520.db2.gz NFKKXCQSNVCSEZ-UHFFFAOYSA-N 0 2 360.326 3.210 20 5 FGBDLN O=C(Nc1ccc(Br)cc1O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000541680042 504217674 /nfs/dbraw/zinc/21/76/74/504217674.db2.gz PCBWLSMASFGQII-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000534801340 504245782 /nfs/dbraw/zinc/24/57/82/504245782.db2.gz CMNISUOWPWBWBY-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cccc(F)c2C)c([N+](=O)[O-])c1 ZINC000538498281 504263758 /nfs/dbraw/zinc/26/37/58/504263758.db2.gz SZEUHJMFBYJHDB-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000539448301 504575618 /nfs/dbraw/zinc/57/56/18/504575618.db2.gz SEVXVWZJMWUZNW-CYBMUJFWSA-N 0 2 356.334 3.006 20 5 FGBDLN CC(C)COc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000536188328 504661361 /nfs/dbraw/zinc/66/13/61/504661361.db2.gz YXNFIENHSPNLNF-UHFFFAOYSA-N 0 2 360.366 3.353 20 5 FGBDLN O=C(NCc1cc(Br)ccc1F)c1cccc(O)c1[N+](=O)[O-] ZINC000552887840 504782796 /nfs/dbraw/zinc/78/27/96/504782796.db2.gz AZRFZEZJCICJIS-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN O=C(Nc1nc2c(ccc(F)c2F)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552136982 505412135 /nfs/dbraw/zinc/41/21/35/505412135.db2.gz ZKBNOTVMZPNEDQ-UHFFFAOYSA-N 0 2 351.290 3.441 20 5 FGBDLN COc1ccc(C2(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])CCC2)cc1 ZINC000552161552 505418555 /nfs/dbraw/zinc/41/85/55/505418555.db2.gz JVYAUTFJWOKTRR-UHFFFAOYSA-N 0 2 356.378 3.161 20 5 FGBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552626142 505524533 /nfs/dbraw/zinc/52/45/33/505524533.db2.gz KMVDMOVRWURMCF-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000583081367 506579578 /nfs/dbraw/zinc/57/95/78/506579578.db2.gz KCAWULOLLRSZMD-UHFFFAOYSA-N 0 2 371.422 3.215 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1C[C@@H]1CCCOC1 ZINC000599714709 506599241 /nfs/dbraw/zinc/59/92/41/506599241.db2.gz ZFPPMOFGRRXXHC-AWEZNQCLSA-N 0 2 373.409 3.398 20 5 FGBDLN COc1cc(C)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000603983949 506679550 /nfs/dbraw/zinc/67/95/50/506679550.db2.gz VHFGURIVAGYRRP-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2O)c(F)cc1[N+](=O)[O-] ZINC000590598037 506874491 /nfs/dbraw/zinc/87/44/91/506874491.db2.gz CBQQCFYZYIJBDG-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000600378444 506934102 /nfs/dbraw/zinc/93/41/02/506934102.db2.gz PSYVCXOHHPFMMX-CTYIDZIISA-N 0 2 350.415 3.404 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)ccc2ncccc21 ZINC000610500828 507265626 /nfs/dbraw/zinc/26/56/26/507265626.db2.gz XBPGPDQHOOCHGU-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000613978576 507323845 /nfs/dbraw/zinc/32/38/45/507323845.db2.gz PHULEEOWICXBQZ-RKDXNWHRSA-N 0 2 372.221 3.113 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cnn([C@H](C)CC)c2C)cc1[N+](=O)[O-] ZINC000592353355 507614066 /nfs/dbraw/zinc/61/40/66/507614066.db2.gz SCCCPOYPYBUASW-LLVKDONJSA-N 0 2 366.443 3.434 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000592385237 507631426 /nfs/dbraw/zinc/63/14/26/507631426.db2.gz VSBMPKADJFIGRE-UHFFFAOYSA-N 0 2 352.416 3.113 20 5 FGBDLN CO[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000586798167 507675042 /nfs/dbraw/zinc/67/50/42/507675042.db2.gz IZPJBNOJMKKERK-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000586800981 507676498 /nfs/dbraw/zinc/67/64/98/507676498.db2.gz FIPQOUNPKSHACX-GFCCVEGCSA-N 0 2 362.769 3.247 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cs1 ZINC000120026825 700646047 /nfs/dbraw/zinc/64/60/47/700646047.db2.gz QDTZRMXXGISJNZ-UHFFFAOYSA-N 0 2 352.315 3.476 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000193774879 713498570 /nfs/dbraw/zinc/49/85/70/713498570.db2.gz CPKUHDXAWAHRIN-UHFFFAOYSA-N 0 2 353.425 3.039 20 5 FGBDLN COc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1Br ZINC000753702409 722909957 /nfs/dbraw/zinc/90/99/57/722909957.db2.gz IVARETHXSOPARS-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(Br)ccc1O ZINC000753705123 722910194 /nfs/dbraw/zinc/91/01/94/722910194.db2.gz GEQHUDSMGQVNJT-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000790085381 723104069 /nfs/dbraw/zinc/10/40/69/723104069.db2.gz MNOZQKNYQLKOMT-UHFFFAOYSA-N 0 2 372.834 3.080 20 5 FGBDLN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1O ZINC000791140732 723213973 /nfs/dbraw/zinc/21/39/73/723213973.db2.gz UIVUETFQNONWFG-UHFFFAOYSA-N 0 2 369.692 3.182 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c([C@@H](C)O)c2)cc1C ZINC000795378752 723586459 /nfs/dbraw/zinc/58/64/59/723586459.db2.gz CXQFVWPWKLCKQY-LLVKDONJSA-N 0 2 368.386 3.205 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000796387035 723635886 /nfs/dbraw/zinc/63/58/86/723635886.db2.gz XLUFYNQPNSOEPR-QMMMGPOBSA-N 0 2 360.757 3.321 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)nc1Cl ZINC000811723588 725378385 /nfs/dbraw/zinc/37/83/85/725378385.db2.gz RWJLUJGUBFIHBA-UHFFFAOYSA-N 0 2 355.803 3.315 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2C(F)(F)F)cs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840355493 730139069 /nfs/dbraw/zinc/13/90/69/730139069.db2.gz FHHXDAAVYGHUQR-LDYMZIIASA-N 0 2 357.313 3.433 20 5 FGBDLN O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855345211 731920492 /nfs/dbraw/zinc/92/04/92/731920492.db2.gz OPKPKHNOTGVTRC-RKDXNWHRSA-N 0 2 359.194 3.116 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000005940210 493946907 /nfs/dbraw/zinc/94/69/07/493946907.db2.gz LDVMWMWTACPHBT-UHFFFAOYSA-N 0 2 356.429 3.151 20 5 FGBDLN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060648244 493950692 /nfs/dbraw/zinc/95/06/92/493950692.db2.gz QSFFGRBNDAEARL-UHFFFAOYSA-N 0 2 357.366 3.456 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 ZINC000066254336 494296940 /nfs/dbraw/zinc/29/69/40/494296940.db2.gz HXRABLJETZXEEX-UHFFFAOYSA-N 0 2 371.346 3.284 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(C(C)C)cs2)c1C ZINC000078609591 494330085 /nfs/dbraw/zinc/33/00/85/494330085.db2.gz QCNVOPLMLFYTDW-UHFFFAOYSA-N 0 2 355.441 3.014 20 5 FGBDLN O=C(Cc1ccc(Br)s1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092548814 494666386 /nfs/dbraw/zinc/66/63/86/494666386.db2.gz IYENPPJPDLUCKW-UHFFFAOYSA-N 0 2 357.185 3.306 20 5 FGBDLN Cc1cnn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2F)c1 ZINC000128144171 495051756 /nfs/dbraw/zinc/05/17/56/495051756.db2.gz ZUQQSCMIHXPHOA-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN CC(=O)Nc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1C ZINC000119032134 495075650 /nfs/dbraw/zinc/07/56/50/495075650.db2.gz FVEXKVKWLFZKPX-UHFFFAOYSA-N 0 2 369.424 3.032 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2cccc(F)c2)CCOCC1 ZINC000135342356 495279410 /nfs/dbraw/zinc/27/94/10/495279410.db2.gz LCNKSVHZTSDKEM-UHFFFAOYSA-N 0 2 360.341 3.126 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000135504731 495302825 /nfs/dbraw/zinc/30/28/25/495302825.db2.gz GQFUQAKFZXWQNV-UHFFFAOYSA-N 0 2 368.321 3.210 20 5 FGBDLN COc1ccc(C[C@@H](C)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000124946897 495368756 /nfs/dbraw/zinc/36/87/56/495368756.db2.gz CLJSEIRFJBDKAA-CYBMUJFWSA-N 0 2 358.394 3.260 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000179448580 495595142 /nfs/dbraw/zinc/59/51/42/495595142.db2.gz FRPHPLLMQXVNGM-INIZCTEOSA-N 0 2 356.378 3.122 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000173632238 495623671 /nfs/dbraw/zinc/62/36/71/495623671.db2.gz NDTVDFVAFCPOCS-MRXNPFEDSA-N 0 2 355.394 3.041 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000176595251 495712842 /nfs/dbraw/zinc/71/28/42/495712842.db2.gz MIMKIDOFSLYCQY-UHFFFAOYSA-N 0 2 370.456 3.459 20 5 FGBDLN O=C(Cc1ccc(Br)c(F)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186014548 495821345 /nfs/dbraw/zinc/82/13/45/495821345.db2.gz PUHHTLCZXHTXPQ-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN O=C(Nc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183453792 495990496 /nfs/dbraw/zinc/99/04/96/495990496.db2.gz RZYZGHWMAXGOJR-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1ccc(Cc2nnc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)s2)cc1 ZINC000183590019 496040866 /nfs/dbraw/zinc/04/08/66/496040866.db2.gz JCBAUDFKJCZLCP-UHFFFAOYSA-N 0 2 370.390 3.303 20 5 FGBDLN O=C(Cc1cccc(Br)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155946893 496114601 /nfs/dbraw/zinc/11/46/01/496114601.db2.gz LEXGEDAEPSFJSV-UHFFFAOYSA-N 0 2 351.156 3.244 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000152586705 496195721 /nfs/dbraw/zinc/19/57/21/496195721.db2.gz UBYVSDFWYUFVJS-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000175017288 496210180 /nfs/dbraw/zinc/21/01/80/496210180.db2.gz XZSRYADQVZAGSY-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000152694531 496228869 /nfs/dbraw/zinc/22/88/69/496228869.db2.gz DXEIXFQEXUOTKG-XHSDSOJGSA-N 0 2 365.474 3.143 20 5 FGBDLN C[C@@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000184302115 496326850 /nfs/dbraw/zinc/32/68/50/496326850.db2.gz BSFQPCDXHHKWMP-SECBINFHSA-N 0 2 373.319 3.400 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OCc2ccccc2)CC1 ZINC000184648654 496478789 /nfs/dbraw/zinc/47/87/89/496478789.db2.gz LTAQSVDBESNPTG-UHFFFAOYSA-N 0 2 356.378 3.122 20 5 FGBDLN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000157605370 496514549 /nfs/dbraw/zinc/51/45/49/496514549.db2.gz HNNKYRBZMJDSSR-UHFFFAOYSA-N 0 2 369.377 3.225 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184803313 496538412 /nfs/dbraw/zinc/53/84/12/496538412.db2.gz PYTNXVWNIAFKMZ-ZDUSSCGKSA-N 0 2 372.352 3.175 20 5 FGBDLN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)CO1 ZINC000158042909 496613637 /nfs/dbraw/zinc/61/36/37/496613637.db2.gz GTVRDARNZVYBLR-FZKQIMNGSA-N 0 2 356.378 3.211 20 5 FGBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000182049405 496649647 /nfs/dbraw/zinc/64/96/47/496649647.db2.gz SXHPEAXIEBFRBD-DIFFPNOSSA-N 0 2 360.341 3.042 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccco1)Cc1cccnc1 ZINC000158280195 496666235 /nfs/dbraw/zinc/66/62/35/496666235.db2.gz OGWNDXFHIRMKMX-UHFFFAOYSA-N 0 2 353.334 3.131 20 5 FGBDLN Cc1[nH]c(=O)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1-c1ccccc1 ZINC000166153975 496678151 /nfs/dbraw/zinc/67/81/51/496678151.db2.gz PMKDOGHJHYVBLI-UHFFFAOYSA-N 0 2 365.345 3.216 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000166137382 496678360 /nfs/dbraw/zinc/67/83/60/496678360.db2.gz JWJAAEKZOPGOST-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN COc1ccc(C[C@@H](C)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000182167962 496694313 /nfs/dbraw/zinc/69/43/13/496694313.db2.gz GFAGOZMPWJJWNK-CYBMUJFWSA-N 0 2 358.394 3.260 20 5 FGBDLN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000188632421 496859723 /nfs/dbraw/zinc/85/97/23/496859723.db2.gz OQAJONJMZUDLOK-GFCCVEGCSA-N 0 2 354.284 3.376 20 5 FGBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000191810215 496897926 /nfs/dbraw/zinc/89/79/26/496897926.db2.gz BBVPDCUAIKGYSV-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN CO[C@H](C)c1nc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cs1 ZINC000277819536 496899459 /nfs/dbraw/zinc/89/94/59/496899459.db2.gz HOOWYHSJJJSMOT-MRVPVSSYSA-N 0 2 362.367 3.105 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)sc1C ZINC000191901942 496925746 /nfs/dbraw/zinc/92/57/46/496925746.db2.gz VQSJZPUANTYTQE-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000189283106 497068201 /nfs/dbraw/zinc/06/82/01/497068201.db2.gz QZRSREKDCYBEMQ-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000194775902 497766845 /nfs/dbraw/zinc/76/68/45/497766845.db2.gz TZMCZLCGXZNRDW-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN COCCC[C@@H](Cc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000575363726 505968085 /nfs/dbraw/zinc/96/80/85/505968085.db2.gz GVWLUNDKVKYGCZ-HNNXBMFYSA-N 0 2 358.394 3.068 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1C1CCCCC1 ZINC000572808366 506056520 /nfs/dbraw/zinc/05/65/20/506056520.db2.gz FAMCNCCFJIORMB-UHFFFAOYSA-N 0 2 364.427 3.406 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)cc(C)c1O ZINC000325642218 498839221 /nfs/dbraw/zinc/83/92/21/498839221.db2.gz DRCNCABSJIBBLB-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000366618384 499005749 /nfs/dbraw/zinc/00/57/49/499005749.db2.gz FGFGXWRNEKYATR-PXNSSMCTSA-N 0 2 370.453 3.123 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000368614759 499313923 /nfs/dbraw/zinc/31/39/23/499313923.db2.gz OIAJPZLRKWXIEL-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN COc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723812 499359102 /nfs/dbraw/zinc/35/91/02/499359102.db2.gz NWAJNASUXRJJFU-FOIQADDNSA-N 0 2 371.437 3.092 20 5 FGBDLN COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723812 499359104 /nfs/dbraw/zinc/35/91/04/499359104.db2.gz NWAJNASUXRJJFU-FOIQADDNSA-N 0 2 371.437 3.092 20 5 FGBDLN COCCn1ccc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc21 ZINC000576377507 506143632 /nfs/dbraw/zinc/14/36/32/506143632.db2.gz ZYGOULYBFPZRCX-UHFFFAOYSA-N 0 2 355.350 3.154 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000375821664 499559053 /nfs/dbraw/zinc/55/90/53/499559053.db2.gz BTGPBYIENPXVCU-ZDUSSCGKSA-N 0 2 358.316 3.495 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnoc2C2CC2)cc1[N+](=O)[O-] ZINC000414388637 499785190 /nfs/dbraw/zinc/78/51/90/499785190.db2.gz ZNZBGKHYRXBODI-UHFFFAOYSA-N 0 2 357.775 3.223 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416254983 499996397 /nfs/dbraw/zinc/99/63/97/499996397.db2.gz HEWSOWWCJXPVGW-CQSZACIVSA-N 0 2 362.332 3.426 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417706999 500153610 /nfs/dbraw/zinc/15/36/10/500153610.db2.gz PSZSIFUMIXAQIC-UHFFFAOYSA-N 0 2 371.393 3.254 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)Cc3ccccc3F)sc2c1 ZINC000430079935 500189612 /nfs/dbraw/zinc/18/96/12/500189612.db2.gz WQPGZBQMPWWMTD-UHFFFAOYSA-N 0 2 367.383 3.286 20 5 FGBDLN O=C(Nc1ccccc1NC(=O)N1CCCC1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436951719 500577940 /nfs/dbraw/zinc/57/79/40/500577940.db2.gz SRJYIVMUVCFQCN-UHFFFAOYSA-N 0 2 370.365 3.180 20 5 FGBDLN COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436955819 500578587 /nfs/dbraw/zinc/57/85/87/500578587.db2.gz ITLQWGBJEJFJFJ-UHFFFAOYSA-N 0 2 374.349 3.127 20 5 FGBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000442315847 500581470 /nfs/dbraw/zinc/58/14/70/500581470.db2.gz RPOYUAAARYCHKM-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN CCOCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436969902 500582781 /nfs/dbraw/zinc/58/27/81/500582781.db2.gz BDZXGRHBWBZJFY-UHFFFAOYSA-N 0 2 360.366 3.106 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(c2nc3ccccc3s2)C1 ZINC000436972155 500583397 /nfs/dbraw/zinc/58/33/97/500583397.db2.gz MWJCMTIMJNRPQW-UHFFFAOYSA-N 0 2 355.375 3.150 20 5 FGBDLN CCOCc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000438720666 500815290 /nfs/dbraw/zinc/81/52/90/500815290.db2.gz HRRGIZNRGZGQKW-UHFFFAOYSA-N 0 2 350.396 3.241 20 5 FGBDLN CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cs1 ZINC000440302857 500995042 /nfs/dbraw/zinc/99/50/42/500995042.db2.gz AIPRQSSMRZRMRK-JTQLQIEISA-N 0 2 365.411 3.127 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1C ZINC000435719786 501016875 /nfs/dbraw/zinc/01/68/75/501016875.db2.gz QJAMIWDRYYWGLM-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1OC(F)F ZINC000436517552 501145647 /nfs/dbraw/zinc/14/56/47/501145647.db2.gz OJVFNGVVHFNTBH-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc(Cl)c1F ZINC000436595193 501166015 /nfs/dbraw/zinc/16/60/15/501166015.db2.gz LGGZBVXBJYOWGX-UHFFFAOYSA-N 0 2 368.704 3.132 20 5 FGBDLN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436633661 501174738 /nfs/dbraw/zinc/17/47/38/501174738.db2.gz HFDRRJKINZYTLK-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN O=C(NCc1cccc(OCC(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436673767 501184854 /nfs/dbraw/zinc/18/48/54/501184854.db2.gz LZMBWFBBPPQKMQ-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)[C@@H]1C[C@@H]1C ZINC000436740471 501201705 /nfs/dbraw/zinc/20/17/05/501201705.db2.gz QURLRMPXXBDPNB-APPDUMDISA-N 0 2 369.377 3.314 20 5 FGBDLN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436865317 501223978 /nfs/dbraw/zinc/22/39/78/501223978.db2.gz RGYHAUVEQMCGKU-SNVBAGLBSA-N 0 2 357.391 3.271 20 5 FGBDLN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436884145 501227208 /nfs/dbraw/zinc/22/72/08/501227208.db2.gz JZCDMJURXPIJGA-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436912303 501231519 /nfs/dbraw/zinc/23/15/19/501231519.db2.gz SIHSMPQBWSPLDV-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(CC1)OCCc1ccccc12 ZINC000457126561 501655239 /nfs/dbraw/zinc/65/52/39/501655239.db2.gz BMTZDZZNAOPSDU-UHFFFAOYSA-N 0 2 368.389 3.005 20 5 FGBDLN COc1ccc(-c2ocnc2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000582514937 506266812 /nfs/dbraw/zinc/26/68/12/506266812.db2.gz ZNZOSIIPNQSZNM-UHFFFAOYSA-N 0 2 355.306 3.216 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000470572259 501731249 /nfs/dbraw/zinc/73/12/49/501731249.db2.gz AJWILNYIHGCUAC-JTQLQIEISA-N 0 2 352.416 3.331 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CC(C)(C)C)n[nH]1 ZINC000474432075 501834301 /nfs/dbraw/zinc/83/43/01/501834301.db2.gz PFYJFJXKDUYZHL-UHFFFAOYSA-N 0 2 366.443 3.270 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc2c(cn1)CCCC2 ZINC000461184985 502030593 /nfs/dbraw/zinc/03/05/93/502030593.db2.gz IKHSILOLVRHLHU-UHFFFAOYSA-N 0 2 361.423 3.286 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000480220393 502505860 /nfs/dbraw/zinc/50/58/60/502505860.db2.gz QXQQMIMJOCYQBJ-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000480242058 502511635 /nfs/dbraw/zinc/51/16/35/502511635.db2.gz PIOABDSYQSPFKE-LBPRGKRZSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cc(N2CC[C@@](C(=O)[O-])(C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592982448 506321713 /nfs/dbraw/zinc/32/17/13/506321713.db2.gz DEIANYTWVSKIHG-IBGZPJMESA-N 0 2 370.409 3.297 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c1 ZINC000488377509 502698207 /nfs/dbraw/zinc/69/82/07/502698207.db2.gz HJIDKLDLLVMEIS-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN CO[C@@H](C)CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000509098849 502821072 /nfs/dbraw/zinc/82/10/72/502821072.db2.gz MEBBEYAMOSXEQV-LBPRGKRZSA-N 0 2 365.411 3.115 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000505241045 502875660 /nfs/dbraw/zinc/87/56/60/502875660.db2.gz XQGJGWZLBVWSCZ-LLVKDONJSA-N 0 2 370.340 3.116 20 5 FGBDLN O=C(NCc1csc(-c2ccccc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506113633 503050429 /nfs/dbraw/zinc/05/04/29/503050429.db2.gz OMZJPZQNVRLXPS-UHFFFAOYSA-N 0 2 355.375 3.354 20 5 FGBDLN COc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000502017287 503127518 /nfs/dbraw/zinc/12/75/18/503127518.db2.gz RDKYSSYNHPSIKY-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000514672501 503164087 /nfs/dbraw/zinc/16/40/87/503164087.db2.gz MEKIXCTXYJPECV-UHFFFAOYSA-N 0 2 353.425 3.292 20 5 FGBDLN CN(CCCOc1ccc(Cl)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000507152062 503239574 /nfs/dbraw/zinc/23/95/74/503239574.db2.gz OLKDQWZXWPSSDA-UHFFFAOYSA-N 0 2 364.785 3.495 20 5 FGBDLN Cc1ccc2cccc(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2n1 ZINC000527246719 503737832 /nfs/dbraw/zinc/73/78/32/503737832.db2.gz IYHKAOCMEBDOLX-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cccc3cnccc32)c([N+](=O)[O-])c1 ZINC000537394896 503899723 /nfs/dbraw/zinc/89/97/23/503899723.db2.gz QQWMANDAXBYANC-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN CC[C@H](C)n1nc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1C ZINC000538291828 504192652 /nfs/dbraw/zinc/19/26/52/504192652.db2.gz ZLFXIAOTATUMLG-QMMMGPOBSA-N 0 2 354.208 3.394 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C2CCCCC2)C(F)(F)F)s1 ZINC000541826309 504266309 /nfs/dbraw/zinc/26/63/09/504266309.db2.gz OUAKURMXBFYVSV-NSHDSACASA-N 0 2 372.390 3.446 20 5 FGBDLN O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)CCC3CC3)n2)c1 ZINC000545147533 504375463 /nfs/dbraw/zinc/37/54/63/504375463.db2.gz FWZKHSFSFIUAMX-UHFFFAOYSA-N 0 2 353.425 3.260 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539071696 504464271 /nfs/dbraw/zinc/46/42/71/504464271.db2.gz CTRPCAWASGVXSN-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN Cc1ccccc1-c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000545380311 504465937 /nfs/dbraw/zinc/46/59/37/504465937.db2.gz UXBCZZDGCMPLMM-UHFFFAOYSA-N 0 2 372.406 3.235 20 5 FGBDLN COc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000520691363 504557945 /nfs/dbraw/zinc/55/79/45/504557945.db2.gz KWEYJMRLTVDFRR-UHFFFAOYSA-N 0 2 374.393 3.025 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000556982679 505038289 /nfs/dbraw/zinc/03/82/89/505038289.db2.gz CQBCEUOJTJLPRJ-CXAGYDPISA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(NCc1ccc(OC2CCCCC2)nc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560461485 505092332 /nfs/dbraw/zinc/09/23/32/505092332.db2.gz HRYKBWRBXAGITD-UHFFFAOYSA-N 0 2 371.393 3.337 20 5 FGBDLN CCOc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000560743019 505175321 /nfs/dbraw/zinc/17/53/21/505175321.db2.gz GOHBBDBATKJCTL-UHFFFAOYSA-N 0 2 350.758 3.283 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000551477496 505233797 /nfs/dbraw/zinc/23/37/97/505233797.db2.gz NPZMJRUWQQWHPT-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN O=c1[nH]nc([C@@H]2CCCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000561345386 505320665 /nfs/dbraw/zinc/32/06/65/505320665.db2.gz YEVXLCPZPSBDSR-SSDOTTSWSA-N 0 2 358.185 3.109 20 5 FGBDLN CNC(=O)[C@H]1CCCc2sc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)nc21 ZINC000555464533 505437094 /nfs/dbraw/zinc/43/70/94/505437094.db2.gz ZBWKSVLCSCPXSJ-IOCXFXADSA-N 0 2 359.407 3.093 20 5 FGBDLN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000593853232 506804792 /nfs/dbraw/zinc/80/47/92/506804792.db2.gz XSAUUXOJCOANCI-LBPRGKRZSA-N 0 2 364.398 3.027 20 5 FGBDLN CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)c2cc(F)ccc21 ZINC000590552012 506857094 /nfs/dbraw/zinc/85/70/94/506857094.db2.gz WNGMJGZEQLCMIE-UHFFFAOYSA-N 0 2 359.357 3.316 20 5 FGBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597603512 507026769 /nfs/dbraw/zinc/02/67/69/507026769.db2.gz CULLRKKJWAUOJI-MIGQKNRLSA-N 0 2 362.426 3.092 20 5 FGBDLN CC[C@@H](C)c1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1 ZINC000594334021 507082859 /nfs/dbraw/zinc/08/28/59/507082859.db2.gz IGFWIEBNMWTMOW-SNVBAGLBSA-N 0 2 358.398 3.402 20 5 FGBDLN Cc1ccc(Oc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)nn1 ZINC000586786917 507671821 /nfs/dbraw/zinc/67/18/21/507671821.db2.gz ZHZUZHDMLLBEQN-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC3 ZINC000611534586 507726898 /nfs/dbraw/zinc/72/68/98/507726898.db2.gz DTRKJYAUSIIOPR-UHFFFAOYSA-N 0 2 351.362 3.289 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1[N+](=O)[O-] ZINC000122964225 700698269 /nfs/dbraw/zinc/69/82/69/700698269.db2.gz PABXPAFVZARUFD-UHFFFAOYSA-N 0 2 366.786 3.005 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000619466679 714839694 /nfs/dbraw/zinc/83/96/94/714839694.db2.gz JLZXCIINZJXGLK-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000783873534 724799006 /nfs/dbraw/zinc/79/90/06/724799006.db2.gz JOVZXQKWXSBBTP-UHFFFAOYSA-N 0 2 366.370 3.354 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccnn1C1CCCC1 ZINC000748613752 722698700 /nfs/dbraw/zinc/69/87/00/722698700.db2.gz UOASOFNPXGWJJF-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN COc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc2cccnc21 ZINC000794060219 723487105 /nfs/dbraw/zinc/48/71/05/723487105.db2.gz NIXDHKWZCSSOBQ-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000788139088 725046366 /nfs/dbraw/zinc/04/63/66/725046366.db2.gz HURZLSGVASREMR-UHFFFAOYSA-N 0 2 373.818 3.476 20 5 FGBDLN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901986717 743693082 /nfs/dbraw/zinc/69/30/82/743693082.db2.gz BVUSKHRBXIMGAJ-SSDOTTSWSA-N 0 2 351.222 3.104 20 5 FGBDLN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901986717 743693088 /nfs/dbraw/zinc/69/30/88/743693088.db2.gz BVUSKHRBXIMGAJ-SSDOTTSWSA-N 0 2 351.222 3.104 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000918163601 758310360 /nfs/dbraw/zinc/31/03/60/758310360.db2.gz PDJIGWSXRUINGZ-UHFFFAOYSA-N 0 2 365.386 3.135 20 5 FGBDLN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000058495306 493859309 /nfs/dbraw/zinc/85/93/09/493859309.db2.gz OWQPQGATRNLKRP-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1OC ZINC000055631759 494377085 /nfs/dbraw/zinc/37/70/85/494377085.db2.gz SCIPEBDRRGFURR-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN Cc1ccc(OC2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000116980913 494879856 /nfs/dbraw/zinc/87/98/56/494879856.db2.gz SXNQJJLRKFGSBK-UHFFFAOYSA-N 0 2 356.378 3.292 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000127334347 494930223 /nfs/dbraw/zinc/93/02/23/494930223.db2.gz RDNWMJGHPVPKHO-UHFFFAOYSA-N 0 2 361.832 3.458 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000111995280 495134695 /nfs/dbraw/zinc/13/46/95/495134695.db2.gz FAWZHOBANCJNHV-UHFFFAOYSA-N 0 2 353.425 3.057 20 5 FGBDLN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C(F)(F)F)c1 ZINC000102478495 495137770 /nfs/dbraw/zinc/13/77/70/495137770.db2.gz RSUXYHQBLFJWJK-UHFFFAOYSA-N 0 2 370.283 3.258 20 5 FGBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000123691440 495171768 /nfs/dbraw/zinc/17/17/68/495171768.db2.gz XWAFLJAXTYFKKF-IUCAKERBSA-N 0 2 370.324 3.133 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c([N+](=O)[O-])c1 ZINC000158571567 495540398 /nfs/dbraw/zinc/54/03/98/495540398.db2.gz CFSNLOWFDFHUSE-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CN(Cc1ccc(Br)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179388833 495571686 /nfs/dbraw/zinc/57/16/86/495571686.db2.gz RAMCNYXCJKVBMM-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000179448590 495595091 /nfs/dbraw/zinc/59/50/91/495595091.db2.gz FRPHPLLMQXVNGM-MRXNPFEDSA-N 0 2 356.378 3.122 20 5 FGBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000176596048 495713738 /nfs/dbraw/zinc/71/37/38/495713738.db2.gz PDWDBLRXCDHKHE-UHFFFAOYSA-N 0 2 362.820 3.024 20 5 FGBDLN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000185853742 495751943 /nfs/dbraw/zinc/75/19/43/495751943.db2.gz AAAPMVRBRBGWNQ-GQCTYLIASA-N 0 2 358.335 3.168 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000186018560 495822649 /nfs/dbraw/zinc/82/26/49/495822649.db2.gz XBNVJXVBKFZFLP-ZJUUUORDSA-N 0 2 352.268 3.460 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1C ZINC000160145971 495895050 /nfs/dbraw/zinc/89/50/50/495895050.db2.gz HDKQMYVELYZBKX-UHFFFAOYSA-N 0 2 366.443 3.263 20 5 FGBDLN Cc1ccc(-c2nsc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)n2)s1 ZINC000160263291 495921347 /nfs/dbraw/zinc/92/13/47/495921347.db2.gz PLSUEVFHYVACRR-UHFFFAOYSA-N 0 2 362.392 3.441 20 5 FGBDLN O=C(Nc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183340955 495938993 /nfs/dbraw/zinc/93/89/93/495938993.db2.gz UOYMIAHOQQMBOG-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2cncnc2)cc1F ZINC000186561383 496046139 /nfs/dbraw/zinc/04/61/39/496046139.db2.gz RYVKYIQDQNPNIR-UHFFFAOYSA-N 0 2 354.297 3.149 20 5 FGBDLN O=c1nc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]c2ccsc21 ZINC000155731319 496050431 /nfs/dbraw/zinc/05/04/31/496050431.db2.gz KQDVJQAIAXEBHG-UHFFFAOYSA-N 0 2 356.407 3.057 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[nH]n1 ZINC000162680829 496396538 /nfs/dbraw/zinc/39/65/38/496396538.db2.gz BFQLEUSOBRGGCZ-JTQLQIEISA-N 0 2 368.415 3.031 20 5 FGBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cccc1C(=O)N1CCCC1 ZINC000157714283 496537259 /nfs/dbraw/zinc/53/72/59/496537259.db2.gz FKJQJUOEHBMGHT-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000181778376 496540392 /nfs/dbraw/zinc/54/03/92/496540392.db2.gz CPKWCPCQZVEQRI-UHFFFAOYSA-N 0 2 367.361 3.461 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(OCCF)c2)c1C ZINC000164196294 496593609 /nfs/dbraw/zinc/59/36/09/496593609.db2.gz MUHVTKWAJUMFMU-UHFFFAOYSA-N 0 2 368.386 3.361 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000179095502 496673278 /nfs/dbraw/zinc/67/32/78/496673278.db2.gz ISMDGZVRSVCSAI-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN COc1ccc2nc(C)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2c1 ZINC000166153467 496677886 /nfs/dbraw/zinc/67/78/86/496677886.db2.gz DVKZJRSJIFNKEY-UHFFFAOYSA-N 0 2 353.334 3.418 20 5 FGBDLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000194864150 496739758 /nfs/dbraw/zinc/73/97/58/496739758.db2.gz TUKMUBXQHRHTFO-UHFFFAOYSA-N 0 2 374.806 3.021 20 5 FGBDLN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000189501446 497140012 /nfs/dbraw/zinc/14/00/12/497140012.db2.gz RJTDFFLRNKOGNG-LJQANCHMSA-N 0 2 358.394 3.104 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OC2CCOCC2)cc1 ZINC000271628871 497402974 /nfs/dbraw/zinc/40/29/74/497402974.db2.gz XFMJWDLNOAVDDD-UHFFFAOYSA-N 0 2 358.350 3.111 20 5 FGBDLN O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193653559 497438386 /nfs/dbraw/zinc/43/83/86/497438386.db2.gz KGJQJOGSKRTKPY-UHFFFAOYSA-N 0 2 364.317 3.460 20 5 FGBDLN CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CCO2)cc1 ZINC000190887185 497633690 /nfs/dbraw/zinc/63/36/90/497633690.db2.gz HXKMGMQOOYXRSY-SFHVURJKSA-N 0 2 356.378 3.077 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293333669 498350442 /nfs/dbraw/zinc/35/04/42/498350442.db2.gz AWKOZKBSPVHRLI-UHFFFAOYSA-N 0 2 374.368 3.418 20 5 FGBDLN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000331535201 498363458 /nfs/dbraw/zinc/36/34/58/498363458.db2.gz LHVZZUSKMSJXDP-MRXNPFEDSA-N 0 2 356.378 3.293 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000370305987 499207605 /nfs/dbraw/zinc/20/76/05/499207605.db2.gz QZNOURAPCWULQU-HNNXBMFYSA-N 0 2 362.769 3.168 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(-c2cncnc2)cc1 ZINC000368611139 499313728 /nfs/dbraw/zinc/31/37/28/499313728.db2.gz CGQTWVTYPWBYNB-LBPRGKRZSA-N 0 2 364.361 3.248 20 5 FGBDLN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376007524 499575764 /nfs/dbraw/zinc/57/57/64/499575764.db2.gz IEHNMAYXXITGNI-NSHDSACASA-N 0 2 361.423 3.257 20 5 FGBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nn1-c1cccc(Cl)c1 ZINC000376075556 499581247 /nfs/dbraw/zinc/58/12/47/499581247.db2.gz LSPKOCMTJSTZFN-UHFFFAOYSA-N 0 2 372.768 3.122 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000410402241 499660451 /nfs/dbraw/zinc/66/04/51/499660451.db2.gz BHBLVMBEFOBHKU-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000414378017 499783254 /nfs/dbraw/zinc/78/32/54/499783254.db2.gz BXAFAJXTTWESQG-SNVBAGLBSA-N 0 2 364.427 3.316 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000427783684 500432064 /nfs/dbraw/zinc/43/20/64/500432064.db2.gz YZTNSQLURUITMA-UHFFFAOYSA-N 0 2 353.400 3.244 20 5 FGBDLN Cc1cc(C)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2F)n1 ZINC000436946678 500576669 /nfs/dbraw/zinc/57/66/69/500576669.db2.gz DZYVWNJOYBMPES-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(-c2ccncc2)cs1 ZINC000436966642 500581712 /nfs/dbraw/zinc/58/17/12/500581712.db2.gz ODSVRTOVTKRDDW-SNVBAGLBSA-N 0 2 370.390 3.310 20 5 FGBDLN CC(C)Cn1ncc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C(F)F ZINC000436974094 500583404 /nfs/dbraw/zinc/58/34/04/500583404.db2.gz WFDDWKPXFHOBAX-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000436971555 500583831 /nfs/dbraw/zinc/58/38/31/500583831.db2.gz JZULSNFUQYVFSX-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN O=C(Nc1cccc(Oc2cccnn2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436980666 500585018 /nfs/dbraw/zinc/58/50/18/500585018.db2.gz OJCYGLLORHZOPR-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC000436979657 500585213 /nfs/dbraw/zinc/58/52/13/500585213.db2.gz KXKFINCSAKJZHC-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN CC(C)(C)OC(=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436989484 500588296 /nfs/dbraw/zinc/58/82/96/500588296.db2.gz MGQXHUMCTFLCKH-UHFFFAOYSA-N 0 2 372.377 3.289 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c([N+](=O)[O-])c1 ZINC000439988933 500963280 /nfs/dbraw/zinc/96/32/80/500963280.db2.gz PBBODRRHXZNVKI-UHFFFAOYSA-N 0 2 374.374 3.263 20 5 FGBDLN O=C(NCc1ccsc1Br)c1ccc([N+](=O)[O-])cc1O ZINC000436666250 501182166 /nfs/dbraw/zinc/18/21/66/501182166.db2.gz UEQQFNWLRUKMNQ-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000446946945 501184969 /nfs/dbraw/zinc/18/49/69/501184969.db2.gz VGHWRBXEEQTEGK-UHFFFAOYSA-N 0 2 353.425 3.428 20 5 FGBDLN C[C@H]1CCCN(c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccn2)C1 ZINC000436705178 501192259 /nfs/dbraw/zinc/19/22/59/501192259.db2.gz OGFDIMOBWCNWKI-LBPRGKRZSA-N 0 2 356.382 3.184 20 5 FGBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436742825 501202067 /nfs/dbraw/zinc/20/20/67/501202067.db2.gz WYOWYHBGXSXHCE-UHFFFAOYSA-N 0 2 352.749 3.408 20 5 FGBDLN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(OC)c(OC)c1 ZINC000436857464 501222294 /nfs/dbraw/zinc/22/22/94/501222294.db2.gz AHGGRKMALOGJDJ-AWEZNQCLSA-N 0 2 360.366 3.199 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436860852 501222921 /nfs/dbraw/zinc/22/29/21/501222921.db2.gz IJHSHLNPZBYLHW-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436883792 501227269 /nfs/dbraw/zinc/22/72/69/501227269.db2.gz HSESGQKOGILNMN-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN O=C(Nc1nc2c(ccc(F)c2F)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436896589 501229124 /nfs/dbraw/zinc/22/91/24/501229124.db2.gz NOCPBJDQYCNTGK-UHFFFAOYSA-N 0 2 351.290 3.441 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2OCCF)c1C ZINC000451080535 501243976 /nfs/dbraw/zinc/24/39/76/501243976.db2.gz JIEWBRGLXAWEKY-UHFFFAOYSA-N 0 2 368.386 3.361 20 5 FGBDLN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000456928975 501621079 /nfs/dbraw/zinc/62/10/79/501621079.db2.gz UUSHXMJPPZXPBZ-SHTZXODSSA-N 0 2 356.378 3.327 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc12 ZINC000467764738 501864305 /nfs/dbraw/zinc/86/43/05/501864305.db2.gz AMENGEPJZWYCAC-UHFFFAOYSA-N 0 2 374.374 3.263 20 5 FGBDLN Cc1cc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1F ZINC000481883418 501907893 /nfs/dbraw/zinc/90/78/93/501907893.db2.gz IZFKAXZBOIZMMB-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000461111250 502016264 /nfs/dbraw/zinc/01/62/64/502016264.db2.gz JMRPNEICZGRANA-UHFFFAOYSA-N 0 2 363.439 3.127 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)c(Br)c2)[nH]1 ZINC000486026275 502022636 /nfs/dbraw/zinc/02/26/36/502022636.db2.gz DFHUROHWEZPDOY-DUXPYHPUSA-N 0 2 372.562 3.382 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OC(F)F)c(Cl)c2)[nH]1 ZINC000486103888 502048318 /nfs/dbraw/zinc/04/83/18/502048318.db2.gz OHMUSINUHKMSLJ-HNQUOIGGSA-N 0 2 359.672 3.221 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000478690888 502058777 /nfs/dbraw/zinc/05/87/77/502058777.db2.gz JVRCAQMYWHGQSN-JTQLQIEISA-N 0 2 350.400 3.008 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000478694580 502059472 /nfs/dbraw/zinc/05/94/72/502059472.db2.gz IXZANMNNASMMMR-VIFPVBQESA-N 0 2 370.818 3.353 20 5 FGBDLN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)=O)ccc2O)cc1OC ZINC000476298639 502447341 /nfs/dbraw/zinc/44/73/41/502447341.db2.gz WJXPFWLYEUFDGU-UHFFFAOYSA-N 0 2 374.349 3.163 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000484463120 502646916 /nfs/dbraw/zinc/64/69/16/502646916.db2.gz ZUCFHYXXZPHFMI-UHFFFAOYSA-N 0 2 366.443 3.399 20 5 FGBDLN CC(C)(C)[NH+]=c1[n-]nc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCO1 ZINC000463097736 502692616 /nfs/dbraw/zinc/69/26/16/502692616.db2.gz XDPNVDMEFLSACD-OAHLLOKOSA-N 0 2 359.430 3.055 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1OC ZINC000466958106 502739478 /nfs/dbraw/zinc/73/94/78/502739478.db2.gz QUXSJCKFAUGQDB-UHFFFAOYSA-N 0 2 372.424 3.091 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC(C)(C)O3)c([N+](=O)[O-])c1 ZINC000509590541 502943105 /nfs/dbraw/zinc/94/31/05/502943105.db2.gz MRJZIJSFIMJMAS-UHFFFAOYSA-N 0 2 364.379 3.211 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000509848215 502997228 /nfs/dbraw/zinc/99/72/28/502997228.db2.gz IJTUQLMOMFWPAA-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(NCCOc1ccccc1C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000510333762 503094263 /nfs/dbraw/zinc/09/42/63/503094263.db2.gz AAXRUXSBXZSKAY-UHFFFAOYSA-N 0 2 370.283 3.128 20 5 FGBDLN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000491078840 503270224 /nfs/dbraw/zinc/27/02/24/503270224.db2.gz QRMMQEFHISBACG-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508708906 503548915 /nfs/dbraw/zinc/54/89/15/503548915.db2.gz GKUMFYBUSNNEMP-MRXNPFEDSA-N 0 2 368.349 3.281 20 5 FGBDLN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508708906 503548918 /nfs/dbraw/zinc/54/89/18/503548918.db2.gz GKUMFYBUSNNEMP-MRXNPFEDSA-N 0 2 368.349 3.281 20 5 FGBDLN COc1ccccc1[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC(C)C ZINC000517021054 503645561 /nfs/dbraw/zinc/64/55/61/503645561.db2.gz FJKNHQOAKDLZQZ-SFHVURJKSA-N 0 2 374.393 3.205 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000537194740 503835997 /nfs/dbraw/zinc/83/59/97/503835997.db2.gz FEKSSVPPBDJGCB-LLVKDONJSA-N 0 2 366.443 3.434 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000538299400 504196067 /nfs/dbraw/zinc/19/60/67/504196067.db2.gz ZDINYWYDVJEPCD-SNVBAGLBSA-N 0 2 352.416 3.180 20 5 FGBDLN C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000538312260 504201817 /nfs/dbraw/zinc/20/18/17/504201817.db2.gz ZSLAFQFGUGBSIB-SNVBAGLBSA-N 0 2 350.758 3.151 20 5 FGBDLN O=C(NCCc1ccc(Br)s1)c1cccc(O)c1[N+](=O)[O-] ZINC000538346172 504216308 /nfs/dbraw/zinc/21/63/08/504216308.db2.gz YCXHZHQBEMIAKX-UHFFFAOYSA-N 0 2 371.212 3.097 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c2c1 ZINC000536182588 504659452 /nfs/dbraw/zinc/65/94/52/504659452.db2.gz ZATBCVJIYPSYTG-UHFFFAOYSA-N 0 2 372.406 3.151 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000539856825 504719419 /nfs/dbraw/zinc/71/94/19/504719419.db2.gz ZTHZPQFHDQZTHY-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000562577546 504866453 /nfs/dbraw/zinc/86/64/53/504866453.db2.gz DRYHUNDZMBOHNB-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nn1-c1ccccc1Cl ZINC000560629803 505149172 /nfs/dbraw/zinc/14/91/72/505149172.db2.gz KJPKLFUTAGCODV-UHFFFAOYSA-N 0 2 372.768 3.122 20 5 FGBDLN Cc1ccc(Br)cc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552184133 505423555 /nfs/dbraw/zinc/42/35/55/505423555.db2.gz DADSQWCJFKHEDR-UHFFFAOYSA-N 0 2 365.183 3.301 20 5 FGBDLN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552231173 505435072 /nfs/dbraw/zinc/43/50/72/505435072.db2.gz SMTZHUFOSJWPFS-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cc(C)n(C(C)C)n2)cc1[N+](=O)[O-] ZINC000567588952 505508243 /nfs/dbraw/zinc/50/82/43/505508243.db2.gz PNLJVKDZLVYKNL-UHFFFAOYSA-N 0 2 352.416 3.044 20 5 FGBDLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000593734575 506751587 /nfs/dbraw/zinc/75/15/87/506751587.db2.gz AORQSTCKBUZUPK-ACJLOTCBSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000593734575 506751596 /nfs/dbraw/zinc/75/15/96/506751596.db2.gz AORQSTCKBUZUPK-ACJLOTCBSA-N 0 2 356.378 3.255 20 5 FGBDLN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000593848930 506801502 /nfs/dbraw/zinc/80/15/02/506801502.db2.gz GJGRJDSGAYPQRZ-GFCCVEGCSA-N 0 2 364.398 3.027 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)sc1C ZINC000598735640 507573945 /nfs/dbraw/zinc/57/39/45/507573945.db2.gz YPRLYSIEWZBSJT-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]nc1C(C)C ZINC000592385022 507632065 /nfs/dbraw/zinc/63/20/65/507632065.db2.gz JFMOQGZUQHFBFG-UHFFFAOYSA-N 0 2 352.416 3.167 20 5 FGBDLN CC(C)(C)OC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000611442470 507683676 /nfs/dbraw/zinc/68/36/76/507683676.db2.gz RXWGKZNSJREAHD-UHFFFAOYSA-N 0 2 372.377 3.186 20 5 FGBDLN CCC1CCC([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)(C(=O)[O-])CC1 ZINC000829108303 601496683 /nfs/dbraw/zinc/49/66/83/601496683.db2.gz XLIZNHCUKRXIFT-UHFFFAOYSA-N 0 2 374.397 3.158 20 5 FGBDLN CN(C)c1c(Cl)cccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120007019 700645230 /nfs/dbraw/zinc/64/52/30/700645230.db2.gz JCAZAMDRIDAITB-UHFFFAOYSA-N 0 2 361.832 3.177 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000755027372 722949465 /nfs/dbraw/zinc/94/94/65/722949465.db2.gz RZYNNHDWJCIEIW-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN Cc1ccc(C=CS(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000759151691 723000471 /nfs/dbraw/zinc/00/04/71/723000471.db2.gz ZCLHJVBSJCEJPN-CMDGGOBGSA-N 0 2 358.379 3.192 20 5 FGBDLN O=C(Nc1ccccc1[C@@H](O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000773622590 723807034 /nfs/dbraw/zinc/80/70/34/723807034.db2.gz GWDGNMIJEDWVNY-CYBMUJFWSA-N 0 2 356.256 3.148 20 5 FGBDLN O=C1CCc2cc(Cl)c(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)cc21 ZINC000800930204 724250046 /nfs/dbraw/zinc/25/00/46/724250046.db2.gz ZAMKQUXKHYDOFI-UHFFFAOYSA-N 0 2 366.782 3.178 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(Cl)ncc1Br ZINC000811000335 725339261 /nfs/dbraw/zinc/33/92/61/725339261.db2.gz CSAOEUFCGZDUKN-UHFFFAOYSA-N 0 2 372.562 3.364 20 5 FGBDLN Cc1nn(-c2ccc(Cl)c(Cl)c2)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000840355801 730139019 /nfs/dbraw/zinc/13/90/19/730139019.db2.gz PYQZXUREPUUWCQ-ZWNOBZJWSA-N 0 2 369.208 3.400 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc3nc(C(F)(F)F)sc3c2)no1 ZINC000842508199 730510908 /nfs/dbraw/zinc/51/09/08/730510908.db2.gz LBMWOFTWDDQRNR-HTRCEHHLSA-N 0 2 356.285 3.498 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007052320 204288065 /nfs/dbraw/zinc/28/80/65/204288065.db2.gz RSPYOVGCMPPVFW-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2cnco2)cc1 ZINC000119787776 206105629 /nfs/dbraw/zinc/10/56/29/206105629.db2.gz ZMHGWOWMHXFZDV-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN COCc1cccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060442579 221132816 /nfs/dbraw/zinc/13/28/16/221132816.db2.gz FKJSJJQLFKDWSY-UHFFFAOYSA-N 0 2 350.396 3.159 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000031721872 493957564 /nfs/dbraw/zinc/95/75/64/493957564.db2.gz YYRDPAFPNNLNHR-UHFFFAOYSA-N 0 2 361.379 3.194 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(OC)c1C ZINC000031722606 493957818 /nfs/dbraw/zinc/95/78/18/493957818.db2.gz TVFAMKITRUWEPU-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000040945920 494147177 /nfs/dbraw/zinc/14/71/77/494147177.db2.gz FENWMWHTTKXPMR-UHFFFAOYSA-N 0 2 356.429 3.151 20 5 FGBDLN COc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055663897 494385491 /nfs/dbraw/zinc/38/54/91/494385491.db2.gz RHTBUNJULUDDBJ-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000025146809 494704990 /nfs/dbraw/zinc/70/49/90/494704990.db2.gz NBRNYSHPODYQQG-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN Cc1ccccc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n(C)n1 ZINC000080656653 494756138 /nfs/dbraw/zinc/75/61/38/494756138.db2.gz FIDATMJZGOSHRY-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103525781 495245782 /nfs/dbraw/zinc/24/57/82/495245782.db2.gz SVOFEMVJACLMPQ-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC ZINC000137470216 495442439 /nfs/dbraw/zinc/44/24/39/495442439.db2.gz HFWIBPZTJMXCPP-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000180347090 495961013 /nfs/dbraw/zinc/96/10/13/495961013.db2.gz HLCDEXHFLPZUFU-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000183525461 496019589 /nfs/dbraw/zinc/01/95/89/496019589.db2.gz NNFNPRJGTMTVAB-ZDUSSCGKSA-N 0 2 371.393 3.180 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(OCCF)c2)c([N+](=O)[O-])c1 ZINC000161209564 496128447 /nfs/dbraw/zinc/12/84/47/496128447.db2.gz JPNVELMWFXJCAB-UHFFFAOYSA-N 0 2 354.359 3.052 20 5 FGBDLN Cc1cc(F)ccc1-n1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000180755727 496132969 /nfs/dbraw/zinc/13/29/69/496132969.db2.gz ZRYFXNQITQWNIW-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c[nH]nc1-c1c(F)cccc1F ZINC000180771871 496139953 /nfs/dbraw/zinc/13/99/53/496139953.db2.gz PLMCNVTXWKVIGK-UHFFFAOYSA-N 0 2 360.276 3.221 20 5 FGBDLN CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000180773000 496140892 /nfs/dbraw/zinc/14/08/92/496140892.db2.gz BMUZTOBVNRTULG-UHFFFAOYSA-N 0 2 371.393 3.215 20 5 FGBDLN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000184274111 496313882 /nfs/dbraw/zinc/31/38/82/496313882.db2.gz ICZIUSNWGUUOLQ-AWEZNQCLSA-N 0 2 355.394 3.041 20 5 FGBDLN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000157470392 496483497 /nfs/dbraw/zinc/48/34/97/496483497.db2.gz IKOGWNOVMPWIPT-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000181659887 496492037 /nfs/dbraw/zinc/49/20/37/496492037.db2.gz IFXRVKIBMIBTSF-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN Cc1ccnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)n1 ZINC000184789230 496532417 /nfs/dbraw/zinc/53/24/17/496532417.db2.gz CDLQKKAJHBUEAK-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CCc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184863168 496563012 /nfs/dbraw/zinc/56/30/12/496563012.db2.gz XKAJULDXHOYJOZ-UHFFFAOYSA-N 0 2 373.390 3.212 20 5 FGBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)CO1 ZINC000158043076 496614267 /nfs/dbraw/zinc/61/42/67/496614267.db2.gz GTVRDARNZVYBLR-UGSOOPFHSA-N 0 2 356.378 3.211 20 5 FGBDLN O=C(COc1ccccc1Br)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166161838 496678295 /nfs/dbraw/zinc/67/82/95/496678295.db2.gz YZXBZWKEOHAHRZ-UHFFFAOYSA-N 0 2 367.155 3.080 20 5 FGBDLN CC(C)Oc1cc(CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)ccn1 ZINC000182153175 496690293 /nfs/dbraw/zinc/69/02/93/496690293.db2.gz WBQFJEJGXVRKBH-UHFFFAOYSA-N 0 2 371.393 3.287 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nc(C3CC3)cs2)c1[N+](=O)[O-] ZINC000191748241 496877026 /nfs/dbraw/zinc/87/70/26/496877026.db2.gz CTIZLLZTAXCEAO-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c1[N+](=O)[O-] ZINC000189251086 497059310 /nfs/dbraw/zinc/05/93/10/497059310.db2.gz BNNPDIAAAJCPME-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1F ZINC000189256631 497060348 /nfs/dbraw/zinc/06/03/48/497060348.db2.gz MBYYVEDBDZWIFP-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN COc1ccccc1-n1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000192560832 497150505 /nfs/dbraw/zinc/15/05/05/497150505.db2.gz BKIYNALONJSCJE-UHFFFAOYSA-N 0 2 368.349 3.055 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000194709626 497745601 /nfs/dbraw/zinc/74/56/01/497745601.db2.gz GRQQJOFNOSCIKA-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000194776814 497767120 /nfs/dbraw/zinc/76/71/20/497767120.db2.gz RDBRTOMOSZJDKF-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280916744 497949393 /nfs/dbraw/zinc/94/93/93/497949393.db2.gz IZSXRMGXXYWJSS-HNNXBMFYSA-N 0 2 366.377 3.164 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000330982461 498229691 /nfs/dbraw/zinc/22/96/91/498229691.db2.gz VQCKCAVFTVHNMO-UHFFFAOYSA-N 0 2 372.221 3.257 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cnn(C)c2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000570074970 506084108 /nfs/dbraw/zinc/08/41/08/506084108.db2.gz AJQVCFDYRLSKLV-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN COc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Br ZINC000318797983 498798308 /nfs/dbraw/zinc/79/83/08/498798308.db2.gz RMZLQEHDQSCYNA-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Nc2ccccc2F)CC1 ZINC000375894935 499566100 /nfs/dbraw/zinc/56/61/00/499566100.db2.gz HWGLOOGNJFJIDO-UHFFFAOYSA-N 0 2 359.357 3.156 20 5 FGBDLN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000376076162 499581178 /nfs/dbraw/zinc/58/11/78/499581178.db2.gz OBQZSGZLMYCBHV-INIZCTEOSA-N 0 2 370.409 3.419 20 5 FGBDLN Cc1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cnn1-c1ccccc1F ZINC000376145514 499586453 /nfs/dbraw/zinc/58/64/53/499586453.db2.gz UILGJJJNIKOOKE-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1cc(C2=CCN(C(=O)[C@H](F)C(F)(F)F)CC2)cc([N+](=O)[O-])c1N ZINC000377910113 499747545 /nfs/dbraw/zinc/74/75/45/499747545.db2.gz VBNIKYQVHQWUHC-ZDUSSCGKSA-N 0 2 361.295 3.002 20 5 FGBDLN Cc1cc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)cc([N+](=O)[O-])c1N ZINC000377910113 499747547 /nfs/dbraw/zinc/74/75/47/499747547.db2.gz VBNIKYQVHQWUHC-ZDUSSCGKSA-N 0 2 361.295 3.002 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)nc1C1CC1 ZINC000414455901 499794367 /nfs/dbraw/zinc/79/43/67/499794367.db2.gz SYOCAAFRVOAEJG-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(OC(F)F)cn2)c1 ZINC000427633109 500413978 /nfs/dbraw/zinc/41/39/78/500413978.db2.gz ZEHLTRJIEKVJHW-UHFFFAOYSA-N 0 2 373.337 3.009 20 5 FGBDLN COc1ccc(=NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[nH]n1 ZINC000428337991 500497438 /nfs/dbraw/zinc/49/74/38/500497438.db2.gz WTOJTKNOZOYOSV-UHFFFAOYSA-N 0 2 370.340 3.359 20 5 FGBDLN COCCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000436948067 500577019 /nfs/dbraw/zinc/57/70/19/500577019.db2.gz GKUYLOJLZBTREP-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3O)o2)cs1 ZINC000436952885 500577715 /nfs/dbraw/zinc/57/77/15/500577715.db2.gz KQPDHVRIRBZTSX-UHFFFAOYSA-N 0 2 359.363 3.255 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(CC1)OCCc1ccsc12 ZINC000436958520 500579233 /nfs/dbraw/zinc/57/92/33/500579233.db2.gz HZOLXBSUHYWFTE-UHFFFAOYSA-N 0 2 374.418 3.066 20 5 FGBDLN O=C(NCc1sccc1Br)c1ccc([N+](=O)[O-])cc1O ZINC000436964288 500580662 /nfs/dbraw/zinc/58/06/62/500580662.db2.gz HYNLRLAJFOIAGM-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000437003983 500591514 /nfs/dbraw/zinc/59/15/14/500591514.db2.gz UGGZFZUKPLUIDM-HNNXBMFYSA-N 0 2 358.394 3.068 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000443422026 500722834 /nfs/dbraw/zinc/72/28/34/500722834.db2.gz ZLFAIYQYCBXEAH-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CC[C@H](C)[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000443933158 500779701 /nfs/dbraw/zinc/77/97/01/500779701.db2.gz DUBTZASLQKPZMA-GXFFZTMASA-N 0 2 368.377 3.034 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(-n4cccn4)cc3)no2)cc1O ZINC000445196477 500953885 /nfs/dbraw/zinc/95/38/85/500953885.db2.gz WELOPYIKUDMODE-UHFFFAOYSA-N 0 2 363.333 3.127 20 5 FGBDLN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000436526120 501148137 /nfs/dbraw/zinc/14/81/37/501148137.db2.gz IJLBEMRWCCAQEJ-UHFFFAOYSA-N 0 2 365.560 3.246 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)[C@@H]1C[C@H]1C ZINC000436740474 501201249 /nfs/dbraw/zinc/20/12/49/501201249.db2.gz QURLRMPXXBDPNB-PIGZYNQJSA-N 0 2 369.377 3.314 20 5 FGBDLN COc1cccc(C2(F)CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000436779563 501210256 /nfs/dbraw/zinc/21/02/56/501210256.db2.gz WMBLHGPZLSJAFH-UHFFFAOYSA-N 0 2 374.368 3.410 20 5 FGBDLN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436823549 501216721 /nfs/dbraw/zinc/21/67/21/501216721.db2.gz VNYUWFYYLVXPAR-UHFFFAOYSA-N 0 2 358.354 3.003 20 5 FGBDLN CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867590 501223798 /nfs/dbraw/zinc/22/37/98/501223798.db2.gz DAKLEVCFTWCIGB-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN CCOC(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436868436 501224533 /nfs/dbraw/zinc/22/45/33/501224533.db2.gz JGJCLKAUZMUMAG-UHFFFAOYSA-N 0 2 358.350 3.048 20 5 FGBDLN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436867843 501224739 /nfs/dbraw/zinc/22/47/39/501224739.db2.gz FEQCQNGLEOGHOM-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000485436825 501820869 /nfs/dbraw/zinc/82/08/69/501820869.db2.gz NVGCLNBWARXUNA-QLJPJBMISA-N 0 2 364.785 3.460 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000474432566 501834586 /nfs/dbraw/zinc/83/45/86/501834586.db2.gz LYOFSHWNUODHSB-UHFFFAOYSA-N 0 2 372.834 3.279 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 ZINC000481979183 501934805 /nfs/dbraw/zinc/93/48/05/501934805.db2.gz JGNZVVCMPVHUFJ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000486108212 502048936 /nfs/dbraw/zinc/04/89/36/502048936.db2.gz KBZAVTJFLBQRGY-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461345385 502077377 /nfs/dbraw/zinc/07/73/77/502077377.db2.gz BAYPXUPHRWIZNA-UHFFFAOYSA-N 0 2 352.315 3.476 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000468981009 502251834 /nfs/dbraw/zinc/25/18/34/502251834.db2.gz NLKBWWJAVLYQIY-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000480232245 502508765 /nfs/dbraw/zinc/50/87/65/502508765.db2.gz ZQYGVLDWQIBNBJ-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3cc(C(F)(F)F)ccn3)no2)cc1O ZINC000463178774 502712290 /nfs/dbraw/zinc/71/22/90/502712290.db2.gz YETQAVFTLGSRJF-UHFFFAOYSA-N 0 2 366.255 3.355 20 5 FGBDLN CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1C ZINC000477315323 502740052 /nfs/dbraw/zinc/74/00/52/502740052.db2.gz QPLXPWKHHXZIIS-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000505202095 502869461 /nfs/dbraw/zinc/86/94/61/502869461.db2.gz BJLULIWCBSACLX-AEFFLSMTSA-N 0 2 372.377 3.235 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OCC3CC3)cc2)c([N+](=O)[O-])c1 ZINC000497961835 503075635 /nfs/dbraw/zinc/07/56/35/503075635.db2.gz XBEVDAFALLSDGP-UHFFFAOYSA-N 0 2 362.407 3.493 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000536678695 503676237 /nfs/dbraw/zinc/67/62/37/503676237.db2.gz GMRFLOFRQNGYOI-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000537232338 503850854 /nfs/dbraw/zinc/85/08/54/503850854.db2.gz ZCKIYBDLWWWGCK-CYBMUJFWSA-N 0 2 372.352 3.175 20 5 FGBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000538019950 504117666 /nfs/dbraw/zinc/11/76/66/504117666.db2.gz RWDFKENBXPYKQQ-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN CO[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000539414285 504564411 /nfs/dbraw/zinc/56/44/11/504564411.db2.gz NSDGVCSVORIWFQ-CQSZACIVSA-N 0 2 350.758 3.071 20 5 FGBDLN CC(C)c1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000539553853 504606351 /nfs/dbraw/zinc/60/63/51/504606351.db2.gz DKEFCBTZXVXALY-UHFFFAOYSA-N 0 2 371.418 3.489 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]nc1-c1ccccc1 ZINC000536308118 504693220 /nfs/dbraw/zinc/69/32/20/504693220.db2.gz AVSWWMHGCSWQOU-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(OCC(F)(F)F)c1 ZINC000539970815 504750628 /nfs/dbraw/zinc/75/06/28/504750628.db2.gz BNPSYIPPUGHUGW-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN Cc1[nH+]c2cc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc2n1C1CC1 ZINC000550155078 504980005 /nfs/dbraw/zinc/98/00/05/504980005.db2.gz FOYQWILUJUKWBF-UHFFFAOYSA-N 0 2 366.377 3.223 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000551388028 505214968 /nfs/dbraw/zinc/21/49/68/505214968.db2.gz QDBKMYAJSSCZFX-UHFFFAOYSA-N 0 2 374.777 3.335 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCc1cccs1 ZINC000564384928 505402643 /nfs/dbraw/zinc/40/26/43/505402643.db2.gz CIMVKUJVPOZQBT-UHFFFAOYSA-N 0 2 356.425 3.039 20 5 FGBDLN Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583265950 506686363 /nfs/dbraw/zinc/68/63/63/506686363.db2.gz XOOGXPIKDCRYRU-UHFFFAOYSA-N 0 2 356.382 3.209 20 5 FGBDLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000593734580 506751934 /nfs/dbraw/zinc/75/19/34/506751934.db2.gz AORQSTCKBUZUPK-SCLBCKFNSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000593734580 506751939 /nfs/dbraw/zinc/75/19/39/506751939.db2.gz AORQSTCKBUZUPK-SCLBCKFNSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000593738666 506754824 /nfs/dbraw/zinc/75/48/24/506754824.db2.gz WFGREYKSDCCSQV-XIKOKIGWSA-N 0 2 374.368 3.394 20 5 FGBDLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000593738666 506754832 /nfs/dbraw/zinc/75/48/32/506754832.db2.gz WFGREYKSDCCSQV-XIKOKIGWSA-N 0 2 374.368 3.394 20 5 FGBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000600227871 506859957 /nfs/dbraw/zinc/85/99/57/506859957.db2.gz OQVSATGIKZZIEV-UHFFFAOYSA-N 0 2 364.452 3.284 20 5 FGBDLN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000600378538 506934332 /nfs/dbraw/zinc/93/43/32/506934332.db2.gz VEHDKCHTKGELDQ-HDJSIYSDSA-N 0 2 350.415 3.404 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCCCC3)[nH+]c2)n1 ZINC000583874948 507024323 /nfs/dbraw/zinc/02/43/23/507024323.db2.gz QJWJNAPQHIMJTN-UHFFFAOYSA-N 0 2 371.397 3.076 20 5 FGBDLN O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000613894786 507293644 /nfs/dbraw/zinc/29/36/44/507293644.db2.gz UFVHTUATRDTDQG-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(CCc3ccccc3O2)CC1 ZINC000598399695 507409727 /nfs/dbraw/zinc/40/97/27/507409727.db2.gz QEMMDEFXOYNLNS-UHFFFAOYSA-N 0 2 368.389 3.300 20 5 FGBDLN O=C1N=NC([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)O1 ZINC000585701993 507598437 /nfs/dbraw/zinc/59/84/37/507598437.db2.gz SEYDLKSMRHTMDJ-MRVPVSSYSA-N 0 2 358.276 3.086 20 5 FGBDLN O=C([O-])Nc1ccc(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000738670436 602959767 /nfs/dbraw/zinc/95/97/67/602959767.db2.gz RRCXTRFNZKMYAQ-UHFFFAOYSA-N 0 2 368.305 3.090 20 5 FGBDLN CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120108066 700648370 /nfs/dbraw/zinc/64/83/70/700648370.db2.gz UQNBKAGXVFISDJ-UHFFFAOYSA-N 0 2 356.425 3.460 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(SC(F)F)nc1 ZINC000135248145 704841063 /nfs/dbraw/zinc/84/10/63/704841063.db2.gz ISPFWEBILMQPSI-UHFFFAOYSA-N 0 2 361.351 3.105 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000172882076 705433091 /nfs/dbraw/zinc/43/30/91/705433091.db2.gz WBVIGWSVPOQZTE-UHFFFAOYSA-N 0 2 369.330 3.060 20 5 FGBDLN CCOc1cc(COC(=O)c2cc(F)c(O)c(F)c2)ccc1[N+](=O)[O-] ZINC000755545791 722954328 /nfs/dbraw/zinc/95/43/28/722954328.db2.gz RCFOPEWYBANBCE-UHFFFAOYSA-N 0 2 353.277 3.334 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])c1 ZINC000031721856 493957199 /nfs/dbraw/zinc/95/71/99/493957199.db2.gz XRYJDEXLHYQMGN-UHFFFAOYSA-N 0 2 361.379 3.194 20 5 FGBDLN CCCc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000032098453 493975098 /nfs/dbraw/zinc/97/50/98/493975098.db2.gz KRTAUJNFTVJYIW-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077025477 494010912 /nfs/dbraw/zinc/01/09/12/494010912.db2.gz FLLIDRGZVJTTIG-HWPZZCPQSA-N 0 2 364.785 3.460 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3Cl)o2)[nH]1 ZINC000033669017 494062285 /nfs/dbraw/zinc/06/22/85/494062285.db2.gz OYAZBYGIMRKBSA-ALCCZGGFSA-N 0 2 359.725 3.468 20 5 FGBDLN COc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000063911144 494097115 /nfs/dbraw/zinc/09/71/15/494097115.db2.gz WWUFMTRETJCDEE-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN COc1c(Cl)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000057123492 494647521 /nfs/dbraw/zinc/64/75/21/494647521.db2.gz IDDPBTWFWJYBBA-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-c2cncnc2)cc1 ZINC000126155556 494655930 /nfs/dbraw/zinc/65/59/30/494655930.db2.gz OBHDAVYKKPHACX-GFCCVEGCSA-N 0 2 364.361 3.248 20 5 FGBDLN O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000108459715 494712408 /nfs/dbraw/zinc/71/24/08/494712408.db2.gz MXLVCUVRYQHANX-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(CC(C)(C)C)n[nH]1 ZINC000126790195 494838467 /nfs/dbraw/zinc/83/84/67/494838467.db2.gz RRXXTQZFHVEKAA-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN CN(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127273996 494920670 /nfs/dbraw/zinc/92/06/70/494920670.db2.gz BDSLJXYJQMWTBE-UHFFFAOYSA-N 0 2 355.803 3.115 20 5 FGBDLN COc1cccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000122120686 494927171 /nfs/dbraw/zinc/92/71/71/494927171.db2.gz GELSQYKRSCXESD-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN COCCCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000133272198 494992918 /nfs/dbraw/zinc/99/29/18/494992918.db2.gz MEIQJHOEXXTVQE-UHFFFAOYSA-N 0 2 358.394 3.369 20 5 FGBDLN O=C(NCc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000123356381 495119999 /nfs/dbraw/zinc/11/99/99/495119999.db2.gz MJCKAWJDBRPFLJ-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN CCOCc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000102320451 495128955 /nfs/dbraw/zinc/12/89/55/495128955.db2.gz GZNWLCBANKVFCY-UHFFFAOYSA-N 0 2 350.396 3.241 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000119392017 495157608 /nfs/dbraw/zinc/15/76/08/495157608.db2.gz PUJJQPCNNRSSNO-UHFFFAOYSA-N 0 2 358.445 3.071 20 5 FGBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000112266039 495163601 /nfs/dbraw/zinc/16/36/01/495163601.db2.gz COQGILRTZCKORS-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000136981961 495414831 /nfs/dbraw/zinc/41/48/31/495414831.db2.gz BZQPDHPYHMLQJM-AWEZNQCLSA-N 0 2 356.378 3.159 20 5 FGBDLN CN(CCOc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179389847 495572065 /nfs/dbraw/zinc/57/20/65/495572065.db2.gz SEFMFTDEKKNGNX-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000179392390 495572752 /nfs/dbraw/zinc/57/27/52/495572752.db2.gz CYWZCBYGHGLWIX-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000179470945 495603548 /nfs/dbraw/zinc/60/35/48/495603548.db2.gz SDCTUJHMXGFIEQ-UHFFFAOYSA-N 0 2 371.324 3.067 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000176594696 495713145 /nfs/dbraw/zinc/71/31/45/495713145.db2.gz JIDGQMPNFVQMSK-UHFFFAOYSA-N 0 2 370.456 3.459 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000171341816 495827640 /nfs/dbraw/zinc/82/76/40/495827640.db2.gz KYLORDKCQBQRSG-LLVKDONJSA-N 0 2 364.427 3.126 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c1C ZINC000171342870 495829203 /nfs/dbraw/zinc/82/92/03/495829203.db2.gz PEOYZCQJMZYMOU-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160208132 495909192 /nfs/dbraw/zinc/90/91/92/495909192.db2.gz IXFOUTFRVRFWPO-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1CC(C)C ZINC000160402714 495954421 /nfs/dbraw/zinc/95/44/21/495954421.db2.gz ZERNDPAOKIHWER-UHFFFAOYSA-N 0 2 366.443 3.119 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(OCCF)c2)cc1C ZINC000161175867 496119898 /nfs/dbraw/zinc/11/98/98/496119898.db2.gz QYWDEPPSDADPEK-UHFFFAOYSA-N 0 2 368.386 3.361 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1-c1ccccc1 ZINC000152578233 496193171 /nfs/dbraw/zinc/19/31/71/496193171.db2.gz AKWSWAWIDQSXHN-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2occ(C)c2c1 ZINC000187077878 496282738 /nfs/dbraw/zinc/28/27/38/496282738.db2.gz XFFAGRXZGCLBFL-UHFFFAOYSA-N 0 2 362.363 3.459 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c1 ZINC000178002528 496283350 /nfs/dbraw/zinc/28/33/50/496283350.db2.gz WQPMEKBMMGXTPM-UHFFFAOYSA-N 0 2 362.285 3.120 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)c([N+](=O)[O-])c1 ZINC000574703025 505836463 /nfs/dbraw/zinc/83/64/63/505836463.db2.gz DQWDGRWCXDMVIZ-UHFFFAOYSA-N 0 2 371.440 3.293 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3[nH]cnc32)cc1[N+](=O)[O-] ZINC000172834657 496455023 /nfs/dbraw/zinc/45/50/23/496455023.db2.gz AXHDGXJTDJOFMJ-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN CC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184768359 496524523 /nfs/dbraw/zinc/52/45/23/496524523.db2.gz DWZQHEKZBFBIKM-UHFFFAOYSA-N 0 2 371.374 3.146 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c2ncccc12 ZINC000184785975 496531705 /nfs/dbraw/zinc/53/17/05/496531705.db2.gz LFADRHQCIKIHRN-UHFFFAOYSA-N 0 2 365.317 3.222 20 5 FGBDLN O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000181926864 496602541 /nfs/dbraw/zinc/60/25/41/496602541.db2.gz CVLPSGBCIOBOCX-KSSFIOAISA-N 0 2 356.378 3.198 20 5 FGBDLN CCc1nnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)o1 ZINC000173318721 496641319 /nfs/dbraw/zinc/64/13/19/496641319.db2.gz YMMQZGIQKBEFNZ-UHFFFAOYSA-N 0 2 354.322 3.165 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(C2CCCCC2)no1 ZINC000182064502 496656127 /nfs/dbraw/zinc/65/61/27/496656127.db2.gz RYDYORDOTDQATD-SNVBAGLBSA-N 0 2 360.370 3.222 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000191795669 496891540 /nfs/dbraw/zinc/89/15/40/496891540.db2.gz HGXYITXZCSKNQP-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1C ZINC000195533100 496949727 /nfs/dbraw/zinc/94/97/27/496949727.db2.gz MOCFVMZIOQGLEM-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2CCC(C)C)cc1C ZINC000578306230 505910696 /nfs/dbraw/zinc/91/06/96/505910696.db2.gz DNHKLNYDBBRIRB-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN Cc1nc(C)c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)s1 ZINC000272941686 497766400 /nfs/dbraw/zinc/76/64/00/497766400.db2.gz NUFNCLYBXKSDII-UHFFFAOYSA-N 0 2 361.832 3.431 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000194790682 497773263 /nfs/dbraw/zinc/77/32/63/497773263.db2.gz ZEEXHAAFLAEWMT-UHFFFAOYSA-N 0 2 374.806 3.038 20 5 FGBDLN CCOc1cc2c(cc1NC(=O)c1cccc(O)c1[N+](=O)[O-])O[C@H](C)C2 ZINC000280971049 497971112 /nfs/dbraw/zinc/97/11/12/497971112.db2.gz OJXITVHFTITYPT-SNVBAGLBSA-N 0 2 358.350 3.275 20 5 FGBDLN Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330503734 498144382 /nfs/dbraw/zinc/14/43/82/498144382.db2.gz CVKRJILTZUKAGV-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000578808646 506025188 /nfs/dbraw/zinc/02/51/88/506025188.db2.gz NMULDXUXESIGEV-ZDUSSCGKSA-N 0 2 368.311 3.451 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000283066511 498766988 /nfs/dbraw/zinc/76/69/88/498766988.db2.gz JTWGLKHATQOIPK-ZDUSSCGKSA-N 0 2 358.316 3.495 20 5 FGBDLN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368860464 499340654 /nfs/dbraw/zinc/34/06/54/499340654.db2.gz NKWMCCPQMJGIRP-UHFFFAOYSA-N 0 2 367.361 3.236 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000373141229 499453522 /nfs/dbraw/zinc/45/35/22/499453522.db2.gz UOWKBWMYOSHNDF-UHFFFAOYSA-N 0 2 359.769 3.278 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000432282661 500493499 /nfs/dbraw/zinc/49/34/99/500493499.db2.gz JPUXVSKYLYCNFP-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN CC(C)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000442234209 500574002 /nfs/dbraw/zinc/57/40/02/500574002.db2.gz FOLXOKOWQNCZQP-UHFFFAOYSA-N 0 2 374.369 3.186 20 5 FGBDLN O=C(NCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000436954893 500578238 /nfs/dbraw/zinc/57/82/38/500578238.db2.gz IPSUCZWHYTVXHO-UHFFFAOYSA-N 0 2 355.375 3.354 20 5 FGBDLN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436958566 500579402 /nfs/dbraw/zinc/57/94/02/500579402.db2.gz IRFVTGGQNBBRRT-HOCLYGCPSA-N 0 2 362.769 3.214 20 5 FGBDLN COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)ccc1SC ZINC000436965520 500580581 /nfs/dbraw/zinc/58/05/81/500580581.db2.gz SVIAWIWYTVQKTG-UHFFFAOYSA-N 0 2 362.407 3.303 20 5 FGBDLN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436967416 500581862 /nfs/dbraw/zinc/58/18/62/500581862.db2.gz SNCSYRTVUOUBOE-UHFFFAOYSA-N 0 2 371.393 3.471 20 5 FGBDLN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(CC)CC ZINC000436973139 500583910 /nfs/dbraw/zinc/58/39/10/500583910.db2.gz RRXFHGPGYRUAGA-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000447650391 500639455 /nfs/dbraw/zinc/63/94/55/500639455.db2.gz SCASILVNGMAYEB-UHFFFAOYSA-N 0 2 374.303 3.231 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443402323 500719514 /nfs/dbraw/zinc/71/95/14/500719514.db2.gz GXYPKYAZLNPDHH-UHFFFAOYSA-N 0 2 362.407 3.418 20 5 FGBDLN CCOCc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000438731508 500815793 /nfs/dbraw/zinc/81/57/93/500815793.db2.gz ZWEDBSCWHZTNTP-UHFFFAOYSA-N 0 2 350.396 3.241 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(C(F)(F)F)cn3)no2)cc1O ZINC000445201487 500953529 /nfs/dbraw/zinc/95/35/29/500953529.db2.gz YGOXNIYXXMOPKR-UHFFFAOYSA-N 0 2 366.255 3.355 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3N3CCCC3)no2)cc1O ZINC000445215543 500955218 /nfs/dbraw/zinc/95/52/18/500955218.db2.gz SXSWQDINEMIRSJ-UHFFFAOYSA-N 0 2 353.338 3.013 20 5 FGBDLN O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436493488 501138712 /nfs/dbraw/zinc/13/87/12/501138712.db2.gz PPYFYDBVTNGLTL-MSOLQXFVSA-N 0 2 372.377 3.235 20 5 FGBDLN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436707640 501192926 /nfs/dbraw/zinc/19/29/26/501192926.db2.gz PEJGBTSNQWUCDY-ZDUSSCGKSA-N 0 2 354.284 3.376 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(OC[C@H]2CCCO2)c1 ZINC000436867611 501223817 /nfs/dbraw/zinc/22/38/17/501223817.db2.gz DLKSYMUQQRGZOL-CQSZACIVSA-N 0 2 372.377 3.419 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436892473 501228798 /nfs/dbraw/zinc/22/87/98/501228798.db2.gz JORMHLDRQYVZTI-GOEBONIOSA-N 0 2 362.769 3.214 20 5 FGBDLN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(F)(F)F)cc1 ZINC000436918049 501232606 /nfs/dbraw/zinc/23/26/06/501232606.db2.gz GBBOBWUGNOXSDP-CQSZACIVSA-N 0 2 370.283 3.342 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592827706 506267446 /nfs/dbraw/zinc/26/74/46/506267446.db2.gz GGOXMWHPSRHWRF-SFHVURJKSA-N 0 2 370.405 3.104 20 5 FGBDLN COc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc([N+](=O)[O-])c1C ZINC000478055092 501866440 /nfs/dbraw/zinc/86/64/40/501866440.db2.gz SZGHMSUFJIFACT-UHFFFAOYSA-N 0 2 352.350 3.350 20 5 FGBDLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])sc1Br ZINC000486098902 502046455 /nfs/dbraw/zinc/04/64/55/502046455.db2.gz BKCIJBFEWCMUKR-NSCUHMNNSA-N 0 2 358.173 3.099 20 5 FGBDLN CC(C)(NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000486779843 502258280 /nfs/dbraw/zinc/25/82/80/502258280.db2.gz IVQOABBBCRQRKL-UHFFFAOYSA-N 0 2 366.377 3.151 20 5 FGBDLN O=C(COc1ccccc1C(F)(F)F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483435206 502390849 /nfs/dbraw/zinc/39/08/49/502390849.db2.gz QIHCUAKBQHGCSS-UHFFFAOYSA-N 0 2 356.256 3.337 20 5 FGBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000462491933 502462516 /nfs/dbraw/zinc/46/25/16/502462516.db2.gz SMWHTBQHJGYTLC-GFCCVEGCSA-N 0 2 362.455 3.373 20 5 FGBDLN Cc1cc(C)c(-c2cc(=NC(=O)c3cc(O)ccc3[N+](=O)[O-])[nH][nH]2)cc1C ZINC000487593383 502486613 /nfs/dbraw/zinc/48/66/13/502486613.db2.gz LGEZFJBQNMLACG-UHFFFAOYSA-N 0 2 366.377 3.290 20 5 FGBDLN Cc1ccnc(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)n1 ZINC000469662332 502496053 /nfs/dbraw/zinc/49/60/53/502496053.db2.gz MHVWQARZYFMWCB-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000469710220 502510439 /nfs/dbraw/zinc/51/04/39/502510439.db2.gz OZXXCNKYKHGWPC-CYBMUJFWSA-N 0 2 355.394 3.392 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000469870754 502577316 /nfs/dbraw/zinc/57/73/16/502577316.db2.gz DTDZDCQKEDMJNL-CQSZACIVSA-N 0 2 362.769 3.247 20 5 FGBDLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000488352927 502691270 /nfs/dbraw/zinc/69/12/70/502691270.db2.gz HSBOXSWTWSAEPL-VIFPVBQESA-N 0 2 370.818 3.217 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)sc1C ZINC000481050223 502740160 /nfs/dbraw/zinc/74/01/60/502740160.db2.gz AHKCXNHOOLGECC-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509580655 502940495 /nfs/dbraw/zinc/94/04/95/502940495.db2.gz ZBIJNWNQDSJJKD-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN C[S@](=O)Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Cl ZINC000498336874 503161321 /nfs/dbraw/zinc/16/13/21/503161321.db2.gz SMEBDYGRKDIIRO-DEOSSOPVSA-N 0 2 368.798 3.085 20 5 FGBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OC1CCOCC1 ZINC000498559749 503211416 /nfs/dbraw/zinc/21/14/16/503211416.db2.gz KRLNUBMWUFRZOW-UHFFFAOYSA-N 0 2 372.377 3.419 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000491547656 503317778 /nfs/dbraw/zinc/31/77/78/503317778.db2.gz PVYCUCDYMMNSRX-LBPRGKRZSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000491608949 503324522 /nfs/dbraw/zinc/32/45/22/503324522.db2.gz CQRQXGFUDRMEDV-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc1 ZINC000493150888 503409777 /nfs/dbraw/zinc/40/97/77/503409777.db2.gz JBAFKNFZDYMABH-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN CC(C)C[C@H](C)Oc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccn1 ZINC000511987152 503429636 /nfs/dbraw/zinc/42/96/36/503429636.db2.gz FCPYNZFLGFDNNO-ZDUSSCGKSA-N 0 2 373.409 3.439 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1Cc1ccncc1 ZINC000546552008 503784972 /nfs/dbraw/zinc/78/49/72/503784972.db2.gz KPMLCLHIOJMDRH-UHFFFAOYSA-N 0 2 366.377 3.414 20 5 FGBDLN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1(C)C ZINC000540588208 503825101 /nfs/dbraw/zinc/82/51/01/503825101.db2.gz WGUFZFIMEBXXCA-HUUCEWRRSA-N 0 2 350.415 3.356 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1C ZINC000537196845 503837269 /nfs/dbraw/zinc/83/72/69/503837269.db2.gz UEFUKHOQTVKVQV-GFCCVEGCSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000537724755 504018184 /nfs/dbraw/zinc/01/81/84/504018184.db2.gz FWTMXJBXEXKVTJ-UHFFFAOYSA-N 0 2 369.406 3.108 20 5 FGBDLN COc1ccc(C(=O)CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC000537768842 504033982 /nfs/dbraw/zinc/03/39/82/504033982.db2.gz SCFMJNDCEFCKIJ-UHFFFAOYSA-N 0 2 362.313 3.050 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1C ZINC000538296749 504195212 /nfs/dbraw/zinc/19/52/12/504195212.db2.gz PMWGMMKPDLORKL-LLVKDONJSA-N 0 2 366.443 3.488 20 5 FGBDLN COc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000538831931 504386152 /nfs/dbraw/zinc/38/61/52/504386152.db2.gz GCQXKUUZXLUJAW-UHFFFAOYSA-N 0 2 370.283 3.258 20 5 FGBDLN Cc1[nH]c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)c1C(=O)OC(C)C ZINC000542518416 504522709 /nfs/dbraw/zinc/52/27/09/504522709.db2.gz YRWWPCGXVKEKHU-UHFFFAOYSA-N 0 2 361.354 3.063 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(SC)ccc1C ZINC000539399163 504557983 /nfs/dbraw/zinc/55/79/83/504557983.db2.gz QJWXOHLNLAGIOT-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000539423237 504567471 /nfs/dbraw/zinc/56/74/71/504567471.db2.gz CRWIPKPWKVXROJ-OAHLLOKOSA-N 0 2 355.394 3.041 20 5 FGBDLN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000549532308 504843601 /nfs/dbraw/zinc/84/36/01/504843601.db2.gz QSMJDTHAABGWPV-QGZVFWFLSA-N 0 2 365.393 3.423 20 5 FGBDLN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000549532308 504843607 /nfs/dbraw/zinc/84/36/07/504843607.db2.gz QSMJDTHAABGWPV-QGZVFWFLSA-N 0 2 365.393 3.423 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]cc(CCNc3nc(C(F)(F)F)ns3)c2c1 ZINC000563766211 505232312 /nfs/dbraw/zinc/23/23/12/505232312.db2.gz LHMSDVCQAPUMMU-UHFFFAOYSA-N 0 2 357.317 3.023 20 5 FGBDLN CC(C)(C)c1nc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)s[nH]1 ZINC000609785248 507000455 /nfs/dbraw/zinc/00/04/55/507000455.db2.gz TYRAFIVJHZAWSL-UHFFFAOYSA-N 0 2 354.819 3.000 20 5 FGBDLN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000594724842 507255230 /nfs/dbraw/zinc/25/52/30/507255230.db2.gz YZVJYLUADIALHV-LLVKDONJSA-N 0 2 365.411 3.276 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(CCc3ccccc3O2)CC1 ZINC000598398428 507409039 /nfs/dbraw/zinc/40/90/39/507409039.db2.gz KFTKNOHBJVRIOZ-UHFFFAOYSA-N 0 2 368.389 3.300 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)c([N+](=O)[O-])s1 ZINC000601975900 507535647 /nfs/dbraw/zinc/53/56/47/507535647.db2.gz AHBCLHOHFJCZJH-GFCCVEGCSA-N 0 2 368.436 3.269 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnc1Cl ZINC000154051509 705020668 /nfs/dbraw/zinc/02/06/68/705020668.db2.gz GTCRPYSCXMLSBZ-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000172885652 705433066 /nfs/dbraw/zinc/43/30/66/705433066.db2.gz KJTGVKZXBUEROR-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN CC1(C)CCc2sc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)nc21 ZINC000580074824 714504692 /nfs/dbraw/zinc/50/46/92/714504692.db2.gz JIXHXUNOTOFKKE-UHFFFAOYSA-N 0 2 353.425 3.076 20 5 FGBDLN CN(C)C(=O)Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000753818548 722914577 /nfs/dbraw/zinc/91/45/77/722914577.db2.gz NDVKGVDUUZGRPE-UHFFFAOYSA-N 0 2 361.379 3.326 20 5 FGBDLN O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC000753824252 722914820 /nfs/dbraw/zinc/91/48/20/722914820.db2.gz IAMFVJUDNHDHRB-CQSZACIVSA-N 0 2 371.176 3.071 20 5 FGBDLN O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000753837347 722915263 /nfs/dbraw/zinc/91/52/63/722915263.db2.gz FHODEKPHVMKKGV-ZDUSSCGKSA-N 0 2 371.176 3.071 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1C ZINC000790418557 723138222 /nfs/dbraw/zinc/13/82/22/723138222.db2.gz VNLCXYARXHRIMX-SNVBAGLBSA-N 0 2 370.406 3.319 20 5 FGBDLN CC(C)Cc1ncc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000794595199 723533817 /nfs/dbraw/zinc/53/38/17/723533817.db2.gz UPDLNVDSBOZGPS-UHFFFAOYSA-N 0 2 370.818 3.038 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2(c3ccc(Br)cc3)CC2)no1 ZINC000871857994 735555941 /nfs/dbraw/zinc/55/59/41/735555941.db2.gz CJMPPHAHRAVOGW-GHMZBOCLSA-N 0 2 350.172 3.045 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)CCCN2C ZINC000920756792 758596852 /nfs/dbraw/zinc/59/68/52/758596852.db2.gz BMKWKHXYRMGGLX-UHFFFAOYSA-N 0 2 361.423 3.086 20 5 FGBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000579977968 505656188 /nfs/dbraw/zinc/65/61/88/505656188.db2.gz QONHRRIVPLENRY-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN CC(C)OCc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000063849402 494093754 /nfs/dbraw/zinc/09/37/54/494093754.db2.gz KCHBABREKNFEFD-UHFFFAOYSA-N 0 2 350.396 3.321 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccccc1F ZINC000089531269 494321622 /nfs/dbraw/zinc/32/16/22/494321622.db2.gz SCEJIQRVUCBUER-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(CSC)cc2)c([N+](=O)[O-])c1 ZINC000066588341 494360619 /nfs/dbraw/zinc/36/06/19/494360619.db2.gz DAYQOMGOIXESQR-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055652040 494382605 /nfs/dbraw/zinc/38/26/05/494382605.db2.gz JQYQXEVJRZJKSS-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066942114 494442398 /nfs/dbraw/zinc/44/23/98/494442398.db2.gz ILGCLNFGVVICHK-SJORKVTESA-N 0 2 360.341 3.090 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000080311290 494674068 /nfs/dbraw/zinc/67/40/68/494674068.db2.gz PFFLBZHBRMGPPH-UHFFFAOYSA-N 0 2 359.363 3.414 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(CC(C)(C)C)n[nH]1 ZINC000126781587 494837522 /nfs/dbraw/zinc/83/75/22/494837522.db2.gz SLCQLDFCKCYIFV-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN COc1ccccc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccco1 ZINC000129097917 495195343 /nfs/dbraw/zinc/19/53/43/495195343.db2.gz QEHRNUMDWDJJHF-GOSISDBHSA-N 0 2 368.345 3.421 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1F ZINC000103201857 495203603 /nfs/dbraw/zinc/20/36/03/495203603.db2.gz PWNRXPRYFRCVPG-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000119866077 495258066 /nfs/dbraw/zinc/25/80/66/495258066.db2.gz NXBISJMHKIVMEW-BBRMVZONSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000113700884 495325373 /nfs/dbraw/zinc/32/53/73/495325373.db2.gz PYXDJQZVMFQZJZ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000158680876 495565420 /nfs/dbraw/zinc/56/54/20/495565420.db2.gz SERCQFIQSTWHPN-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171278138 495801661 /nfs/dbraw/zinc/80/16/61/495801661.db2.gz ALHBGHRBBVBHFE-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1F ZINC000151474026 495851395 /nfs/dbraw/zinc/85/13/95/495851395.db2.gz JEUINZSPTTXVQE-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN Cc1cccc2sc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])nc21 ZINC000183379174 495955221 /nfs/dbraw/zinc/95/52/21/495955221.db2.gz LUPNYBLKVLJJGC-UHFFFAOYSA-N 0 2 363.420 3.455 20 5 FGBDLN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183516597 496018242 /nfs/dbraw/zinc/01/82/42/496018242.db2.gz XBNFMMXEHQRPNS-UHFFFAOYSA-N 0 2 371.393 3.247 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000183911416 496157666 /nfs/dbraw/zinc/15/76/66/496157666.db2.gz KDQBHWVAMQJHHO-UHFFFAOYSA-N 0 2 364.361 3.227 20 5 FGBDLN Cc1c(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)cccc1[N+](=O)[O-] ZINC000180882290 496184402 /nfs/dbraw/zinc/18/44/02/496184402.db2.gz DWHDUWCUMLGXTM-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1 ZINC000177773319 496190265 /nfs/dbraw/zinc/19/02/65/496190265.db2.gz AEEHAUWAIQDWRD-SNVBAGLBSA-N 0 2 352.416 3.331 20 5 FGBDLN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000184274092 496314530 /nfs/dbraw/zinc/31/45/30/496314530.db2.gz ICZIUSNWGUUOLQ-CQSZACIVSA-N 0 2 355.394 3.041 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187746986 496555582 /nfs/dbraw/zinc/55/55/82/496555582.db2.gz YDWSSCFTAQHAFI-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C(=O)N(C)C(C)C ZINC000192547388 497145751 /nfs/dbraw/zinc/14/57/51/497145751.db2.gz NSMRLDUADBEKPA-UHFFFAOYSA-N 0 2 371.393 3.342 20 5 FGBDLN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000255317566 497363935 /nfs/dbraw/zinc/36/39/35/497363935.db2.gz GYIRNDXXLYTPFY-XQRVVYSFSA-N 0 2 358.335 3.168 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000194788957 497772595 /nfs/dbraw/zinc/77/25/95/497772595.db2.gz NUKRHRSPASNMNW-UHFFFAOYSA-N 0 2 374.806 3.038 20 5 FGBDLN Cc1c(NC(=O)c2cccc(O)c2[N+](=O)[O-])cccc1C(=O)N1CCCC1 ZINC000281056323 498003634 /nfs/dbraw/zinc/00/36/34/498003634.db2.gz YDTNQTYKSIOSKB-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000281274518 498084519 /nfs/dbraw/zinc/08/45/19/498084519.db2.gz XEFVWLWMWRPQSR-UHFFFAOYSA-N 0 2 372.834 3.214 20 5 FGBDLN COc1ccc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1OC ZINC000581390358 505976904 /nfs/dbraw/zinc/97/69/04/505976904.db2.gz MDCUFBSTNWRUSC-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN Cc1cc(N2CCC(CCCn3cc[nH+]c3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578630805 505985580 /nfs/dbraw/zinc/98/55/80/505985580.db2.gz CBGHKRGKWNUSBU-UHFFFAOYSA-N 0 2 372.425 3.495 20 5 FGBDLN Cc1nc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)n[nH]1 ZINC000292869027 498176596 /nfs/dbraw/zinc/17/65/96/498176596.db2.gz SEBVEBRTWDCDDH-NSHDSACASA-N 0 2 369.347 3.420 20 5 FGBDLN CC(C)(NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000582089000 506129744 /nfs/dbraw/zinc/12/97/44/506129744.db2.gz KZPIXINUEAMDBG-UHFFFAOYSA-N 0 2 368.349 3.016 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000372478218 499132321 /nfs/dbraw/zinc/13/23/21/499132321.db2.gz PBOAVHDYHIYZLU-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000410404032 499660614 /nfs/dbraw/zinc/66/06/14/499660614.db2.gz MSBXTKZDPHILDA-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)cccc1[N+](=O)[O-] ZINC000414372574 499782194 /nfs/dbraw/zinc/78/21/94/499782194.db2.gz PUTJZBSZICNORU-UHFFFAOYSA-N 0 2 374.378 3.118 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416252785 499995828 /nfs/dbraw/zinc/99/58/28/499995828.db2.gz BIBXCTXBTHKSHM-CYBMUJFWSA-N 0 2 362.332 3.426 20 5 FGBDLN CC1(C)CCc2sc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000421270259 500007416 /nfs/dbraw/zinc/00/74/16/500007416.db2.gz YHCOKKZXHKZQRJ-UHFFFAOYSA-N 0 2 353.425 3.076 20 5 FGBDLN Cc1ccc(F)cc1S(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000430076194 500188997 /nfs/dbraw/zinc/18/89/97/500188997.db2.gz LSACLIVFLSNPGA-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1noc2ccc(Cl)cc21 ZINC000427788800 500432599 /nfs/dbraw/zinc/43/25/99/500432599.db2.gz ZCTVEUCDASVCGP-UHFFFAOYSA-N 0 2 367.770 3.331 20 5 FGBDLN C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C(=O)[O-] ZINC000424424122 500501682 /nfs/dbraw/zinc/50/16/82/500501682.db2.gz VXTZHZHPADIDPT-NHYWBVRUSA-N 0 2 361.423 3.403 20 5 FGBDLN C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C(=O)[O-] ZINC000424424122 500501683 /nfs/dbraw/zinc/50/16/83/500501683.db2.gz VXTZHZHPADIDPT-NHYWBVRUSA-N 0 2 361.423 3.403 20 5 FGBDLN CC(C)Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C(C)C ZINC000442242102 500574697 /nfs/dbraw/zinc/57/46/97/500574697.db2.gz LEXXHZFEQIIVEM-UHFFFAOYSA-N 0 2 366.443 3.372 20 5 FGBDLN COC(=O)c1cc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2o1 ZINC000436950535 500577775 /nfs/dbraw/zinc/57/77/75/500577775.db2.gz MZUDVXBQVFEMBM-UHFFFAOYSA-N 0 2 356.290 3.086 20 5 FGBDLN CCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(CC)CC ZINC000436973137 500583884 /nfs/dbraw/zinc/58/38/84/500583884.db2.gz RRXFHGPGYRUAGA-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000436980642 500585330 /nfs/dbraw/zinc/58/53/30/500585330.db2.gz QTQJILKRQFUPJF-UHFFFAOYSA-N 0 2 366.377 3.086 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000448118841 500720591 /nfs/dbraw/zinc/72/05/91/500720591.db2.gz ARYYXMIYHIVQBE-UHFFFAOYSA-N 0 2 352.416 3.009 20 5 FGBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000448153799 500725307 /nfs/dbraw/zinc/72/53/07/500725307.db2.gz GHMCGZQQPIYIMC-UHFFFAOYSA-N 0 2 355.398 3.127 20 5 FGBDLN CC[C@@H](C)[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000443933160 500779890 /nfs/dbraw/zinc/77/98/90/500779890.db2.gz DUBTZASLQKPZMA-ZWNOBZJWSA-N 0 2 368.377 3.034 20 5 FGBDLN COCCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000445231765 500957854 /nfs/dbraw/zinc/95/78/54/500957854.db2.gz FTAAUZPOOGKCPP-UHFFFAOYSA-N 0 2 357.322 3.043 20 5 FGBDLN COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000440038024 500968707 /nfs/dbraw/zinc/96/87/07/500968707.db2.gz OHWKSBBQQKVKHT-UHFFFAOYSA-N 0 2 358.350 3.003 20 5 FGBDLN CCC(=O)c1ccc(O)c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000436644454 501177266 /nfs/dbraw/zinc/17/72/66/501177266.db2.gz JPURRVQRRMZSHZ-UHFFFAOYSA-N 0 2 374.349 3.163 20 5 FGBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)cc1Cl ZINC000436863784 501223308 /nfs/dbraw/zinc/22/33/08/501223308.db2.gz WAJQWNLXKRPJHD-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000436883206 501226489 /nfs/dbraw/zinc/22/64/89/501226489.db2.gz BPSVMDFFLKEWPL-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN CCCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000451096910 501245402 /nfs/dbraw/zinc/24/54/02/501245402.db2.gz CIIRIBJYNYCAMN-UHFFFAOYSA-N 0 2 370.818 3.182 20 5 FGBDLN CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccc(F)cc21 ZINC000481371525 501755883 /nfs/dbraw/zinc/75/58/83/501755883.db2.gz KGQYOZNDFXAJAG-UHFFFAOYSA-N 0 2 359.357 3.316 20 5 FGBDLN CCc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000481882668 501907571 /nfs/dbraw/zinc/90/75/71/501907571.db2.gz LZQAFJHEYKVTED-UHFFFAOYSA-N 0 2 361.832 3.376 20 5 FGBDLN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000486274567 502107969 /nfs/dbraw/zinc/10/79/69/502107969.db2.gz HKLYSURPMNDSQX-NSHDSACASA-N 0 2 357.366 3.081 20 5 FGBDLN COc1cccc(-c2nc(=NC(=O)c3ccc([N+](=O)[O-])cc3C)s[nH]2)c1 ZINC000476327667 502457924 /nfs/dbraw/zinc/45/79/24/502457924.db2.gz WFYMYFBHYRQCEG-UHFFFAOYSA-N 0 2 370.390 3.105 20 5 FGBDLN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469627425 502485324 /nfs/dbraw/zinc/48/53/24/502485324.db2.gz LQEFGTJKFDQQKM-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000480228189 502506438 /nfs/dbraw/zinc/50/64/38/502506438.db2.gz QQJXIMRZZCNLCA-LLVKDONJSA-N 0 2 366.443 3.488 20 5 FGBDLN O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000485114827 502816469 /nfs/dbraw/zinc/81/64/69/502816469.db2.gz VRBUTNCKQBURBX-UHFFFAOYSA-N 0 2 365.305 3.084 20 5 FGBDLN Cc1cc(F)c2[nH]c(=O)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2c1 ZINC000489156491 502889987 /nfs/dbraw/zinc/88/99/87/502889987.db2.gz UCCMEOZUNRHFBL-UHFFFAOYSA-N 0 2 357.297 3.254 20 5 FGBDLN O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1[nH+]ccn1Cc1ccccc1 ZINC000513471344 502947536 /nfs/dbraw/zinc/94/75/36/502947536.db2.gz ZXJOCMGIQPYBIX-SREVYHEPSA-N 0 2 350.334 3.103 20 5 FGBDLN Cc1ccc(Cc2nnc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])s2)cc1 ZINC000497553324 502985944 /nfs/dbraw/zinc/98/59/44/502985944.db2.gz MYRNRFSJLLEZEF-UHFFFAOYSA-N 0 2 370.390 3.303 20 5 FGBDLN COc1ccc(C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000510345106 503095757 /nfs/dbraw/zinc/09/57/57/503095757.db2.gz DQLKMSYWQYCQQE-UHFFFAOYSA-N 0 2 374.393 3.025 20 5 FGBDLN COCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000502021568 503127750 /nfs/dbraw/zinc/12/77/50/503127750.db2.gz YONDOROVTHNCQR-UHFFFAOYSA-N 0 2 356.787 3.195 20 5 FGBDLN O=C(NCCOc1cccc(C(F)(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506664491 503153191 /nfs/dbraw/zinc/15/31/91/503153191.db2.gz WQQRWUJBJIGUHK-UHFFFAOYSA-N 0 2 370.283 3.128 20 5 FGBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccsc2)c1 ZINC000506687042 503156345 /nfs/dbraw/zinc/15/63/45/503156345.db2.gz JOLJMKPPDWLKEM-UHFFFAOYSA-N 0 2 350.324 3.059 20 5 FGBDLN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506804541 503175747 /nfs/dbraw/zinc/17/57/47/503175747.db2.gz CAPQACORXDMJLU-RDTXWAMCSA-N 0 2 356.378 3.198 20 5 FGBDLN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000499254719 503367114 /nfs/dbraw/zinc/36/71/14/503367114.db2.gz VPDLIGDTMFISQV-UHFFFAOYSA-N 0 2 359.769 3.408 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2n[nH]cc21 ZINC000499261255 503367693 /nfs/dbraw/zinc/36/76/93/503367693.db2.gz BTFVYNLIGZUQKB-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000511722311 503376511 /nfs/dbraw/zinc/37/65/11/503376511.db2.gz LFYCMRJKDMFKGH-JTQLQIEISA-N 0 2 370.390 3.310 20 5 FGBDLN CC(C)CC(=O)Nc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000508438428 503493993 /nfs/dbraw/zinc/49/39/93/503493993.db2.gz NFTUVYSXJPXWBX-UHFFFAOYSA-N 0 2 371.393 3.215 20 5 FGBDLN O=C(NCc1nc2cc(Cl)ccc2s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000518057197 503900701 /nfs/dbraw/zinc/90/07/01/503900701.db2.gz BKPXDHIUNICAQF-UHFFFAOYSA-N 0 2 363.782 3.494 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000538008841 504111771 /nfs/dbraw/zinc/11/17/71/504111771.db2.gz BSQOAEKEONTIGJ-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)c(F)c(O)c1F ZINC000544584337 504182712 /nfs/dbraw/zinc/18/27/12/504182712.db2.gz VAZJXCPUKSYNPN-UHFFFAOYSA-N 0 2 374.702 3.344 20 5 FGBDLN CCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000538330290 504209050 /nfs/dbraw/zinc/20/90/50/504209050.db2.gz CKLMWKLKZQMCTR-CABCVRRESA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(NCc1cc(Cl)ccc1OC(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000538389413 504230655 /nfs/dbraw/zinc/23/06/55/504230655.db2.gz VMQUQXRKTXKGOD-UHFFFAOYSA-N 0 2 372.711 3.485 20 5 FGBDLN Cc1n[nH]c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1-c1ccccc1 ZINC000535394807 504423677 /nfs/dbraw/zinc/42/36/77/504423677.db2.gz QQNRUFZKNUKWKR-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])cn3)n2)cc1 ZINC000531888913 504460815 /nfs/dbraw/zinc/46/08/15/504460815.db2.gz RQKDDTVOYDYGMO-UHFFFAOYSA-N 0 2 366.381 3.325 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000539227018 504502972 /nfs/dbraw/zinc/50/29/72/504502972.db2.gz NWGYJGVAQCDORS-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN O=[N+]([O-])c1ccc(CCN=c2[nH]nc(Cc3ccc(F)cc3)s2)cc1 ZINC000542506901 504517821 /nfs/dbraw/zinc/51/78/21/504517821.db2.gz MRPFGRNPBXVVSQ-UHFFFAOYSA-N 0 2 358.398 3.253 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000539397834 504557016 /nfs/dbraw/zinc/55/70/16/504557016.db2.gz PMBFUILAKBRACK-NSHDSACASA-N 0 2 352.416 3.180 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560700948 505164471 /nfs/dbraw/zinc/16/44/71/505164471.db2.gz UGDIFRPYURVNKA-IINYFYTJSA-N 0 2 350.733 3.379 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000551388921 505215562 /nfs/dbraw/zinc/21/55/62/505215562.db2.gz DCPWOZSJIWYWDY-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000561736287 505422627 /nfs/dbraw/zinc/42/26/27/505422627.db2.gz QIKDWJXHRGUIRN-UHFFFAOYSA-N 0 2 366.333 3.039 20 5 FGBDLN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(Cl)c1 ZINC000564539617 505446436 /nfs/dbraw/zinc/44/64/36/505446436.db2.gz AIGMTAGUGXLSMH-CYBMUJFWSA-N 0 2 350.758 3.071 20 5 FGBDLN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1O)Cc1ccccc1Cl ZINC000555578527 505461801 /nfs/dbraw/zinc/46/18/01/505461801.db2.gz TVALVHHVJXVCRE-UHFFFAOYSA-N 0 2 363.801 3.414 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1[C@@H]1CCCOC1 ZINC000599751321 506616688 /nfs/dbraw/zinc/61/66/88/506616688.db2.gz TUWKYIZRWWQLJY-CQSZACIVSA-N 0 2 359.382 3.323 20 5 FGBDLN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000603975926 506677878 /nfs/dbraw/zinc/67/78/78/506677878.db2.gz RVKZFDBQPFEUBI-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c(C)c1[N+](=O)[O-] ZINC000598715531 507564993 /nfs/dbraw/zinc/56/49/93/507564993.db2.gz YGRXMGXLKRGQIF-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)nn1C(C)C ZINC000598716036 507566564 /nfs/dbraw/zinc/56/65/64/507566564.db2.gz FHRCQRHNRMUPJB-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN CSc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccn1 ZINC000611231323 507572273 /nfs/dbraw/zinc/57/22/73/507572273.db2.gz MLLJWIUVSCUYAQ-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN Cc1oc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)nc1C1CC1 ZINC000598735695 507573378 /nfs/dbraw/zinc/57/33/78/507573378.db2.gz ZTHBSBFYFYUHBV-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611535419 507726594 /nfs/dbraw/zinc/72/65/94/507726594.db2.gz QIFUWIPYHUSBFU-RKDXNWHRSA-N 0 2 372.221 3.113 20 5 FGBDLN CCC1CCC([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)(C(=O)[O-])CC1 ZINC000829107090 601496236 /nfs/dbraw/zinc/49/62/36/601496236.db2.gz GCVZDCIQCXADLJ-UHFFFAOYSA-N 0 2 374.397 3.158 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000522366427 714184806 /nfs/dbraw/zinc/18/48/06/714184806.db2.gz XJFZZHWPOUSDLW-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1F ZINC000742028104 722551412 /nfs/dbraw/zinc/55/14/12/722551412.db2.gz RIKFTIWHOUNEBJ-UHFFFAOYSA-N 0 2 372.349 3.381 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc3c(c2)COC3)c1 ZINC000795346924 723583871 /nfs/dbraw/zinc/58/38/71/723583871.db2.gz YURRJCOSAIEWSV-UHFFFAOYSA-N 0 2 372.761 3.218 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2cc(Cl)ccc2[nH]1 ZINC000772964354 723773437 /nfs/dbraw/zinc/77/34/37/723773437.db2.gz QRUYZJOJKHLXDS-MRVPVSSYSA-N 0 2 360.757 3.321 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2ccc(Br)cc2C1 ZINC000774047375 723852407 /nfs/dbraw/zinc/85/24/07/723852407.db2.gz HJTCCLUORLFZST-UHFFFAOYSA-N 0 2 363.167 3.219 20 5 FGBDLN O=C(Nc1nc2ccc(Cl)nc2s1)c1ccc([N+](=O)[O-])cc1O ZINC000798131556 723906698 /nfs/dbraw/zinc/90/66/98/723906698.db2.gz LGYAQHWRXBDIGO-UHFFFAOYSA-N 0 2 350.743 3.211 20 5 FGBDLN Cc1ncc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000799186519 723996786 /nfs/dbraw/zinc/99/67/86/723996786.db2.gz XSXFRWMKCXQJGG-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1O ZINC000778568586 724346000 /nfs/dbraw/zinc/34/60/00/724346000.db2.gz ZEQHVABGFMZIJZ-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN CC[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(F)F ZINC000831729624 729664510 /nfs/dbraw/zinc/66/45/10/729664510.db2.gz XSVANQDKHUBEMW-ZCFIWIBFSA-N 0 2 363.169 3.224 20 5 FGBDLN CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1)O[C@@H](C)C2 ZINC000029129792 493818693 /nfs/dbraw/zinc/81/86/93/493818693.db2.gz MAZRKNFMGITIEJ-JTQLQIEISA-N 0 2 358.350 3.275 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000031399565 493942083 /nfs/dbraw/zinc/94/20/83/493942083.db2.gz SBFWPJGDNHYTIV-LLVKDONJSA-N 0 2 369.377 3.140 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000007054299 493996794 /nfs/dbraw/zinc/99/67/94/493996794.db2.gz SHGSTJGMQVVJKZ-UHFFFAOYSA-N 0 2 362.285 3.120 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000071826177 494103522 /nfs/dbraw/zinc/10/35/22/494103522.db2.gz ICGBALVMCTWAKE-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000055589965 494369156 /nfs/dbraw/zinc/36/91/56/494369156.db2.gz GUCSFXJGHXNJPF-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000055598432 494370536 /nfs/dbraw/zinc/37/05/36/494370536.db2.gz UERNOGUHDAFQOM-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN Cc1cnc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)o1 ZINC000066814805 494415205 /nfs/dbraw/zinc/41/52/05/494415205.db2.gz IYUYDYMLVBYXTC-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000045774098 494460105 /nfs/dbraw/zinc/46/01/05/494460105.db2.gz XVYDRWCOXMBGKB-UHFFFAOYSA-N 0 2 355.803 3.115 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000126156454 494656230 /nfs/dbraw/zinc/65/62/30/494656230.db2.gz RJIYIHCWVVYTJV-UHFFFAOYSA-N 0 2 358.807 3.204 20 5 FGBDLN CCN(CC)C(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000092546552 494664436 /nfs/dbraw/zinc/66/44/36/494664436.db2.gz WCMANJXHYHJVMG-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC3 ZINC000025546184 494756814 /nfs/dbraw/zinc/75/68/14/494756814.db2.gz UTCKCEIKAYSMFB-UHFFFAOYSA-N 0 2 351.362 3.289 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(-c2ccncc2)cs1 ZINC000126733893 494828083 /nfs/dbraw/zinc/82/80/83/494828083.db2.gz XPYMHYFSKDPHMH-SNVBAGLBSA-N 0 2 370.390 3.310 20 5 FGBDLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000026538807 494830496 /nfs/dbraw/zinc/83/04/96/494830496.db2.gz OBRUTUARVXSLAG-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000128337910 495082059 /nfs/dbraw/zinc/08/20/59/495082059.db2.gz LYGKQHPBWADPQO-GFCCVEGCSA-N 0 2 371.393 3.215 20 5 FGBDLN COc1c(F)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000119074384 495086364 /nfs/dbraw/zinc/08/63/64/495086364.db2.gz KXMACJUWSOBLDL-UHFFFAOYSA-N 0 2 364.351 3.052 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(Cl)ccc1F ZINC000103202224 495204121 /nfs/dbraw/zinc/20/41/21/495204121.db2.gz OPAWDULOWBMJBV-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc(C)c1F ZINC000135526745 495306307 /nfs/dbraw/zinc/30/63/07/495306307.db2.gz HZVXEOMCTMULJA-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN COc1ccc(Br)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000124936390 495367193 /nfs/dbraw/zinc/36/71/93/495367193.db2.gz IKGOTNXGIKZPLA-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccncc3)o2)cc1 ZINC000125486203 495451687 /nfs/dbraw/zinc/45/16/87/495451687.db2.gz USOWZJCNNKOQIK-INIZCTEOSA-N 0 2 351.366 3.377 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000142066164 495513286 /nfs/dbraw/zinc/51/32/86/495513286.db2.gz PWYUDXRRPBNOAJ-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1O ZINC000146007761 495561140 /nfs/dbraw/zinc/56/11/40/495561140.db2.gz VHJUDPGIFLEELG-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2ccc1F ZINC000150974747 495699422 /nfs/dbraw/zinc/69/94/22/495699422.db2.gz PXQDQTWMZFPBHB-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000185733503 495702419 /nfs/dbraw/zinc/70/24/19/495702419.db2.gz UEBNIVPDBNEQKI-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000176594602 495713174 /nfs/dbraw/zinc/71/31/74/495713174.db2.gz JOEZASIBYWPQPD-UHFFFAOYSA-N 0 2 370.456 3.459 20 5 FGBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NOCCC(F)(F)F ZINC000155071567 495825363 /nfs/dbraw/zinc/82/53/63/495825363.db2.gz NSESUXAWHFCGKR-UHFFFAOYSA-N 0 2 358.725 3.341 20 5 FGBDLN O=C(Nc1ccc(F)cc1OCC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000186068327 495844046 /nfs/dbraw/zinc/84/40/46/495844046.db2.gz GXFBQXYVSBPAMM-UHFFFAOYSA-N 0 2 356.256 3.336 20 5 FGBDLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000176970837 495863028 /nfs/dbraw/zinc/86/30/28/495863028.db2.gz SYROXQWHXLSCAK-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000176969781 495863286 /nfs/dbraw/zinc/86/32/86/495863286.db2.gz HCUZPFZYTSWPLN-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000160363433 495945552 /nfs/dbraw/zinc/94/55/52/495945552.db2.gz ZAVWWAFADRYAPE-UHFFFAOYSA-N 0 2 366.443 3.119 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000160571695 495994435 /nfs/dbraw/zinc/99/44/35/495994435.db2.gz KJFLXQBHRYDHKW-UHFFFAOYSA-N 0 2 367.390 3.077 20 5 FGBDLN Cc1ccccc1S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000153195901 496380718 /nfs/dbraw/zinc/38/07/18/496380718.db2.gz AKHWFNUNAGDUGJ-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1ccccc1S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000153195901 496380722 /nfs/dbraw/zinc/38/07/22/496380722.db2.gz AKHWFNUNAGDUGJ-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181538218 496437184 /nfs/dbraw/zinc/43/71/84/496437184.db2.gz UYJYWIBUHVJUOL-UHFFFAOYSA-N 0 2 360.757 3.251 20 5 FGBDLN CN(Cc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184593971 496455743 /nfs/dbraw/zinc/45/57/43/496455743.db2.gz FRTYXZVYLQJRRJ-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN CC(C)c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cc1[N+](=O)[O-] ZINC000187543504 496484123 /nfs/dbraw/zinc/48/41/23/496484123.db2.gz LXJNRFDKQOUIKA-UHFFFAOYSA-N 0 2 368.349 3.314 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c1C ZINC000187736840 496551225 /nfs/dbraw/zinc/55/12/25/496551225.db2.gz PRBKYDOBHJRTHQ-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN COc1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000181950781 496610102 /nfs/dbraw/zinc/61/01/02/496610102.db2.gz QIGRPQXNNNRMHH-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2cnn(C(C)C)c2n1 ZINC000182086871 496664234 /nfs/dbraw/zinc/66/42/34/496664234.db2.gz VCXZUGMVXYKCRO-UHFFFAOYSA-N 0 2 355.354 3.187 20 5 FGBDLN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000179083828 496668648 /nfs/dbraw/zinc/66/86/48/496668648.db2.gz XSESTLMDLLGNHH-UHFFFAOYSA-N 0 2 367.402 3.218 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccc(F)cc1 ZINC000166170077 496678186 /nfs/dbraw/zinc/67/81/86/496678186.db2.gz XXNQGQMNGKGYPD-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN COCc1ccccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189253535 497059160 /nfs/dbraw/zinc/05/91/60/497059160.db2.gz HVTGPKHYPVEENU-UHFFFAOYSA-N 0 2 350.396 3.159 20 5 FGBDLN COc1c(F)cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1F ZINC000189265567 497064654 /nfs/dbraw/zinc/06/46/54/497064654.db2.gz UNWYAWFJMSVMFH-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C2CCCCC2)o1 ZINC000194783892 497770115 /nfs/dbraw/zinc/77/01/15/497770115.db2.gz VYMWWNQJWWCBDR-UHFFFAOYSA-N 0 2 366.399 3.135 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1C(F)(F)F ZINC000578599032 505977188 /nfs/dbraw/zinc/97/71/88/505977188.db2.gz FTTDLTLTJDTMEK-UHFFFAOYSA-N 0 2 373.359 3.241 20 5 FGBDLN Cc1oc(C(C)C)nc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000289300729 498096432 /nfs/dbraw/zinc/09/64/32/498096432.db2.gz ZDIXBYSIHXUDSB-UHFFFAOYSA-N 0 2 356.342 3.052 20 5 FGBDLN Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000368608769 499312908 /nfs/dbraw/zinc/31/29/08/499312908.db2.gz RPXAWINATRPSGP-CQSZACIVSA-N 0 2 355.394 3.008 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1nnc(-c2ccccc2)s1 ZINC000372240230 499412036 /nfs/dbraw/zinc/41/20/36/499412036.db2.gz HSLWKSQGLTVTIB-UHFFFAOYSA-N 0 2 356.363 3.096 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1F ZINC000410408047 499660871 /nfs/dbraw/zinc/66/08/71/499660871.db2.gz QBLNFFXTEHFLDR-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000410415723 499661414 /nfs/dbraw/zinc/66/14/14/499661414.db2.gz WYGSYQKJZRBVDO-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN COc1ccc(OC)c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414366023 499781628 /nfs/dbraw/zinc/78/16/28/499781628.db2.gz AVXQUBNCXYBHLL-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CC1(C)CCc2sc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])nc21 ZINC000421227137 499996068 /nfs/dbraw/zinc/99/60/68/499996068.db2.gz AZBIMDDKDYCOBJ-UHFFFAOYSA-N 0 2 367.452 3.217 20 5 FGBDLN COc1ccsc1S(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000430077874 500189346 /nfs/dbraw/zinc/18/93/46/500189346.db2.gz IDOATYFIYNZPEW-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN CCn1nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1C1CC1 ZINC000425981488 500220741 /nfs/dbraw/zinc/22/07/41/500220741.db2.gz NZXAMEDDOXVAKU-UHFFFAOYSA-N 0 2 364.427 3.106 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc(OC)c1C ZINC000431172001 500345770 /nfs/dbraw/zinc/34/57/70/500345770.db2.gz HXHLLYYULJVRRO-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436958564 500579342 /nfs/dbraw/zinc/57/93/42/500579342.db2.gz IRFVTGGQNBBRRT-GDBMZVCRSA-N 0 2 362.769 3.214 20 5 FGBDLN COC(=O)c1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2o1 ZINC000436962948 500580950 /nfs/dbraw/zinc/58/09/50/500580950.db2.gz OYZASSFARZGKIE-UHFFFAOYSA-N 0 2 356.290 3.086 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cnn(Cc2ccccc2)c1 ZINC000436962885 500581199 /nfs/dbraw/zinc/58/11/99/500581199.db2.gz YFAVGFDWEXUPOP-ZDUSSCGKSA-N 0 2 366.377 3.036 20 5 FGBDLN CC(C)OCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436965603 500582063 /nfs/dbraw/zinc/58/20/63/500582063.db2.gz KZFRAVGATXUWTO-UHFFFAOYSA-N 0 2 374.393 3.494 20 5 FGBDLN COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436972600 500583609 /nfs/dbraw/zinc/58/36/09/500583609.db2.gz OWIZELVGRJBMGU-LLVKDONJSA-N 0 2 360.366 3.117 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cc(OCC(F)F)ccn3)no2)cc1O ZINC000445259965 500962525 /nfs/dbraw/zinc/96/25/25/500962525.db2.gz PLLLLVYXVASQMT-UHFFFAOYSA-N 0 2 364.264 3.056 20 5 FGBDLN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436486104 501137294 /nfs/dbraw/zinc/13/72/94/501137294.db2.gz IGJWGXGWJPKKFX-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN CN(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nc2ccccc21 ZINC000436521047 501147096 /nfs/dbraw/zinc/14/70/96/501147096.db2.gz KFYPEWKMBJJLDU-UHFFFAOYSA-N 0 2 352.350 3.167 20 5 FGBDLN O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436635008 501174441 /nfs/dbraw/zinc/17/44/41/501174441.db2.gz OHILURCARSJEBU-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436672154 501183926 /nfs/dbraw/zinc/18/39/26/501183926.db2.gz CVZHDLKDKYQKAA-LBPRGKRZSA-N 0 2 371.393 3.215 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000436672855 501184987 /nfs/dbraw/zinc/18/49/87/501184987.db2.gz OSDNDGOCJXKMBI-HNNXBMFYSA-N 0 2 370.361 3.049 20 5 FGBDLN COc1ccccc1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000436793714 501212785 /nfs/dbraw/zinc/21/27/85/501212785.db2.gz SKAYOSVZRMRDIF-GOSISDBHSA-N 0 2 368.345 3.421 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CCC(F)(F)F)CC(F)(F)F ZINC000436812455 501215181 /nfs/dbraw/zinc/21/51/81/501215181.db2.gz XLQHCDKCSJRLGQ-UHFFFAOYSA-N 0 2 360.210 3.257 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436862919 501223354 /nfs/dbraw/zinc/22/33/54/501223354.db2.gz RIYFINOIXKCRMS-OAHLLOKOSA-N 0 2 372.377 3.295 20 5 FGBDLN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(Cl)c1 ZINC000436925255 501233736 /nfs/dbraw/zinc/23/37/36/501233736.db2.gz IFFMGONSNRDEOY-AWEZNQCLSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000451062328 501242709 /nfs/dbraw/zinc/24/27/09/501242709.db2.gz NIZIENVFKHVEQL-AWEZNQCLSA-N 0 2 362.407 3.208 20 5 FGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461115523 502018000 /nfs/dbraw/zinc/01/80/00/502018000.db2.gz GRZZONFFKWCRMW-UHFFFAOYSA-N 0 2 352.315 3.476 20 5 FGBDLN O=[N+]([O-])c1cccc(CNc2nc(Cc3ccc(F)cc3F)ns2)c1 ZINC000461223098 502044201 /nfs/dbraw/zinc/04/42/01/502044201.db2.gz BZZRZPPQDOSPGI-UHFFFAOYSA-N 0 2 362.361 3.349 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc([C@H](C)CC)nc1 ZINC000478681877 502056727 /nfs/dbraw/zinc/05/67/27/502056727.db2.gz QHUQYIVYDUHCPO-LLVKDONJSA-N 0 2 364.427 3.262 20 5 FGBDLN CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000475459049 502177812 /nfs/dbraw/zinc/17/78/12/502177812.db2.gz AXYGQBPVJNDIPR-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2c(C)cccc2SC)c([N+](=O)[O-])c1 ZINC000471990805 502193542 /nfs/dbraw/zinc/19/35/42/502193542.db2.gz GBKZIQRQBDDZQZ-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1SC ZINC000471996483 502194759 /nfs/dbraw/zinc/19/47/59/502194759.db2.gz YTEALBNVBSESSY-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN CC(C)(C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000479548015 502293378 /nfs/dbraw/zinc/29/33/78/502293378.db2.gz VVNUYZAAVLUQGK-UHFFFAOYSA-N 0 2 350.396 3.399 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000480739269 502658730 /nfs/dbraw/zinc/65/87/30/502658730.db2.gz MJHVZWUNQFVTIR-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c(F)c1 ZINC000473757961 502698806 /nfs/dbraw/zinc/69/88/06/502698806.db2.gz LBUVQSQSOLQKBE-UHFFFAOYSA-N 0 2 371.293 3.010 20 5 FGBDLN CCc1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])ccc1F ZINC000507569593 503324161 /nfs/dbraw/zinc/32/41/61/503324161.db2.gz WZKVGKLDPYXNCY-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN COc1ccc(C[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000512009955 503433761 /nfs/dbraw/zinc/43/37/61/503433761.db2.gz PBEXWHWUJFTGFU-LLVKDONJSA-N 0 2 360.366 3.135 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])c(OC)c1 ZINC000540192977 503702619 /nfs/dbraw/zinc/70/26/19/503702619.db2.gz WTTQCTDHWLTMEY-OAHLLOKOSA-N 0 2 372.377 3.295 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c(Cl)c1 ZINC000541070535 503995613 /nfs/dbraw/zinc/99/56/13/503995613.db2.gz KLPOXGSJYLJGFG-UHFFFAOYSA-N 0 2 367.814 3.323 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000541087476 504002179 /nfs/dbraw/zinc/00/21/79/504002179.db2.gz UACUXFYVDCMEBW-UHFFFAOYSA-N 0 2 370.770 3.086 20 5 FGBDLN COc1ccc(NC(=O)c2cccc(Br)c2O)cc1[N+](=O)[O-] ZINC000541141792 504021475 /nfs/dbraw/zinc/02/14/75/504021475.db2.gz KJZCWMOYASFVQD-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000519571759 504257869 /nfs/dbraw/zinc/25/78/69/504257869.db2.gz KHXNTCAHOBSMBC-UHFFFAOYSA-N 0 2 360.313 3.375 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c1 ZINC000541802225 504259555 /nfs/dbraw/zinc/25/95/55/504259555.db2.gz YAKHGYYSPIJIJQ-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2C)c([N+](=O)[O-])c1 ZINC000534993508 504305885 /nfs/dbraw/zinc/30/58/85/504305885.db2.gz YOMFJKHLSAWKAR-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN O=[N+]([O-])c1ccccc1CCN=c1[nH]nc(Cc2ccc(F)cc2)s1 ZINC000548055224 504312559 /nfs/dbraw/zinc/31/25/59/504312559.db2.gz ZJDNVPBQGKODMP-UHFFFAOYSA-N 0 2 358.398 3.253 20 5 FGBDLN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539064640 504461698 /nfs/dbraw/zinc/46/16/98/504461698.db2.gz ARVGIXRZLDQVFL-UHFFFAOYSA-N 0 2 371.393 3.100 20 5 FGBDLN COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539446649 504574907 /nfs/dbraw/zinc/57/49/07/504574907.db2.gz KOQQFYIQQIYJCA-CQSZACIVSA-N 0 2 356.378 3.156 20 5 FGBDLN O=C(NCc1ccc(Oc2ccccc2)nc1)c1cccc(O)c1[N+](=O)[O-] ZINC000536099320 504632884 /nfs/dbraw/zinc/63/28/84/504632884.db2.gz NQAUVGOUMYURTM-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000521446570 504740051 /nfs/dbraw/zinc/74/00/51/504740051.db2.gz FSPYGPPKMDVHJX-LLVKDONJSA-N 0 2 364.345 3.006 20 5 FGBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000521446570 504740055 /nfs/dbraw/zinc/74/00/55/504740055.db2.gz FSPYGPPKMDVHJX-LLVKDONJSA-N 0 2 364.345 3.006 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000557071706 505058903 /nfs/dbraw/zinc/05/89/03/505058903.db2.gz OWFDSEUKLPSUEX-UHFFFAOYSA-N 0 2 367.365 3.263 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000551384208 505214464 /nfs/dbraw/zinc/21/44/64/505214464.db2.gz PFVBATFPDROSKT-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC(C)n1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000563980826 505294015 /nfs/dbraw/zinc/29/40/15/505294015.db2.gz OIUUZIWVPMSIBK-UHFFFAOYSA-N 0 2 366.443 3.471 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000562038590 505498857 /nfs/dbraw/zinc/49/88/57/505498857.db2.gz NYLCKWLBVFOPLA-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000589487638 506566900 /nfs/dbraw/zinc/56/69/00/506566900.db2.gz FZKRQRNPNGLHFS-LLVKDONJSA-N 0 2 361.785 3.419 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 ZINC000603983265 506679528 /nfs/dbraw/zinc/67/95/28/506679528.db2.gz RTLXTGQQOQAMSL-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccccc2)n1 ZINC000608926518 506744339 /nfs/dbraw/zinc/74/43/39/506744339.db2.gz OCBVDIJKMHZCSH-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000608954801 506750822 /nfs/dbraw/zinc/75/08/22/506750822.db2.gz JQASBALCDTXZPJ-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN CC1(c2nc(=NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)s[nH]2)CC1 ZINC000600227738 506859903 /nfs/dbraw/zinc/85/99/03/506859903.db2.gz MKCQDKXJJYSLDY-UHFFFAOYSA-N 0 2 372.328 3.191 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1C(F)(F)F ZINC000583791357 506973986 /nfs/dbraw/zinc/97/39/86/506973986.db2.gz PQLBWUPGPRJWBQ-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccc(F)cc1 ZINC000600668664 507055229 /nfs/dbraw/zinc/05/52/29/507055229.db2.gz SLULNEUEWXRBMZ-MRXNPFEDSA-N 0 2 368.386 3.172 20 5 FGBDLN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136569 507113154 /nfs/dbraw/zinc/11/31/54/507113154.db2.gz ZJMKRMLUHKSDHS-CYBMUJFWSA-N 0 2 374.340 3.442 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000610638762 507328133 /nfs/dbraw/zinc/32/81/33/507328133.db2.gz LOKLRCQDSNYLEU-YUMQZZPRSA-N 0 2 372.221 3.113 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[nH]nc1C(C)C ZINC000592384949 507630513 /nfs/dbraw/zinc/63/05/13/507630513.db2.gz AJJJGPPPOJSRHE-UHFFFAOYSA-N 0 2 352.416 3.167 20 5 FGBDLN O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000586758129 507661976 /nfs/dbraw/zinc/66/19/76/507661976.db2.gz RQSUMNQLQASYPX-UHFFFAOYSA-N 0 2 359.769 3.408 20 5 FGBDLN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1Cl ZINC000611535342 507726812 /nfs/dbraw/zinc/72/68/12/507726812.db2.gz OTIAJLXXYLDVKN-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN CC(C)Oc1ccc([N+](=O)[O-])cc1CO[NH+]=C(N)c1cccc(C(=O)[O-])c1 ZINC000827058736 600806497 /nfs/dbraw/zinc/80/64/97/600806497.db2.gz UDZBHYJGSZZSCL-UHFFFAOYSA-N 0 2 373.365 3.127 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(SC)cc1 ZINC000619466397 714839662 /nfs/dbraw/zinc/83/96/62/714839662.db2.gz AYCIGKGVNFLXAJ-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(SC)ccc1C ZINC000619468083 714840181 /nfs/dbraw/zinc/84/01/81/714840181.db2.gz WJBAJAJQWMYQTJ-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000780502366 724472848 /nfs/dbraw/zinc/47/28/48/724472848.db2.gz UATNBBSDWWUWNN-QMMMGPOBSA-N 0 2 360.757 3.321 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000735606944 722517661 /nfs/dbraw/zinc/51/76/61/722517661.db2.gz FCUQEFQBFDHQQD-UHFFFAOYSA-N 0 2 359.385 3.206 20 5 FGBDLN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000795039376 723558244 /nfs/dbraw/zinc/55/82/44/723558244.db2.gz NYWXFWOVXQFUOR-UHFFFAOYSA-N 0 2 356.363 3.027 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1C ZINC000766584286 723582439 /nfs/dbraw/zinc/58/24/39/723582439.db2.gz KOWWMVUUFLWYTO-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN O=C1N=NC([C@H]2CCCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)O1 ZINC000786551761 724988414 /nfs/dbraw/zinc/98/84/14/724988414.db2.gz RZFHMLOJRSNFOQ-ZETCQYMHSA-N 0 2 359.169 3.374 20 5 FGBDLN O=C(Nc1ncc(C2(O)CCCCC2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000788151785 725047308 /nfs/dbraw/zinc/04/73/08/725047308.db2.gz CIGLYCRXVVMEBR-UHFFFAOYSA-N 0 2 363.395 3.161 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)ccc1Cl ZINC000812335412 725394289 /nfs/dbraw/zinc/39/42/89/725394289.db2.gz VNNOPARITCNNNT-UHFFFAOYSA-N 0 2 367.814 3.323 20 5 FGBDLN COC(C)(C)CS(=O)(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC000901962152 743686581 /nfs/dbraw/zinc/68/65/81/743686581.db2.gz AAJMXGVVDYXQER-UHFFFAOYSA-N 0 2 370.349 3.089 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)csc1C ZINC000903615716 743862085 /nfs/dbraw/zinc/86/20/85/743862085.db2.gz JXROMYXFWVNRKK-UHFFFAOYSA-N 0 2 356.425 3.220 20 5 FGBDLN CC(C)NC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000030995597 493917440 /nfs/dbraw/zinc/91/74/40/493917440.db2.gz ROERAQYADSONEZ-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060691371 493952120 /nfs/dbraw/zinc/95/21/20/493952120.db2.gz MFJRPPIJJRLHAP-UHFFFAOYSA-N 0 2 355.350 3.210 20 5 FGBDLN O=C(NCCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065139436 494174376 /nfs/dbraw/zinc/17/43/76/494174376.db2.gz DBFDTDKAGSJFDZ-UHFFFAOYSA-N 0 2 354.284 3.292 20 5 FGBDLN CC1CCN(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cn2)CC1 ZINC000089531527 494321718 /nfs/dbraw/zinc/32/17/18/494321718.db2.gz DBBOVBUYXNNPPY-UHFFFAOYSA-N 0 2 356.382 3.184 20 5 FGBDLN CCc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055548148 494358745 /nfs/dbraw/zinc/35/87/45/494358745.db2.gz SVRBZZMFEJZHPB-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000021205182 494490283 /nfs/dbraw/zinc/49/02/83/494490283.db2.gz DUFBZZIKERUDDL-HNNXBMFYSA-N 0 2 372.377 3.295 20 5 FGBDLN CCO[C@@H](C)c1nc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000092546077 494664767 /nfs/dbraw/zinc/66/47/67/494664767.db2.gz VBSZTVXISIMJAP-VIFPVBQESA-N 0 2 351.384 3.036 20 5 FGBDLN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000075434926 494762298 /nfs/dbraw/zinc/76/22/98/494762298.db2.gz NPQBUQKGCOJASM-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000116603403 494823717 /nfs/dbraw/zinc/82/37/17/494823717.db2.gz VKPKFNRHLCAUKT-UHFFFAOYSA-N 0 2 359.816 3.166 20 5 FGBDLN Cc1coc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000126754641 494832224 /nfs/dbraw/zinc/83/22/24/494832224.db2.gz CHYSABRQKLPRCL-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN COCCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000133860095 495071334 /nfs/dbraw/zinc/07/13/34/495071334.db2.gz IIOAZFUZYDWIDZ-UHFFFAOYSA-N 0 2 358.394 3.022 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cc1[N+](=O)[O-] ZINC000119052229 495081583 /nfs/dbraw/zinc/08/15/83/495081583.db2.gz UHTGTOCZFISFCV-UHFFFAOYSA-N 0 2 365.392 3.421 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)cc1[N+](=O)[O-] ZINC000119420406 495163173 /nfs/dbraw/zinc/16/31/73/495163173.db2.gz DHPJQVCSNHPRCI-UHFFFAOYSA-N 0 2 365.392 3.421 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000135513232 495303953 /nfs/dbraw/zinc/30/39/53/495303953.db2.gz PAFYIVVLJKLIKT-UHFFFAOYSA-N 0 2 368.321 3.210 20 5 FGBDLN O=c1[nH]c(Cc2nnc(-c3ccccc3)[nH]2)nc2cc3ccccc3cc21 ZINC000105507314 495366361 /nfs/dbraw/zinc/36/63/61/495366361.db2.gz FVLWMNWCVIULSR-UHFFFAOYSA-N 0 2 353.385 3.452 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1Cl ZINC000158551006 495535784 /nfs/dbraw/zinc/53/57/84/495535784.db2.gz TYUBKOLJXNTFRX-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CN(CCOc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179399475 495577311 /nfs/dbraw/zinc/57/73/11/495577311.db2.gz AFZGZZJGNFOKQS-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](C)CO1 ZINC000179520216 495626967 /nfs/dbraw/zinc/62/69/67/495626967.db2.gz YSBPLTKFIWPVNV-UGSOOPFHSA-N 0 2 356.378 3.211 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000176589054 495710582 /nfs/dbraw/zinc/71/05/82/495710582.db2.gz RKEJIZZOUQVIKF-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN O=C(Nc1ccnn1-c1cccc(Cl)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185847284 495747416 /nfs/dbraw/zinc/74/74/16/495747416.db2.gz UVBDELYERMVEMP-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc([N+](=O)[O-])cc1O ZINC000185867414 495757315 /nfs/dbraw/zinc/75/73/15/495757315.db2.gz RZZAAMPPVCMKJF-SFHVURJKSA-N 0 2 367.336 3.354 20 5 FGBDLN CCn1cc(Br)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186008636 495818757 /nfs/dbraw/zinc/81/87/57/495818757.db2.gz VGOCFGCDDNZHSS-UHFFFAOYSA-N 0 2 354.160 3.137 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000183202499 495878300 /nfs/dbraw/zinc/87/83/00/495878300.db2.gz HIGAKDBXPGUJNZ-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1ccc(F)cc1F ZINC000180764863 496137738 /nfs/dbraw/zinc/13/77/38/496137738.db2.gz PDNJRBDCUHHPGS-UHFFFAOYSA-N 0 2 374.303 3.325 20 5 FGBDLN CC(C)CC(=O)N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000180767654 496138880 /nfs/dbraw/zinc/13/88/80/496138880.db2.gz MMAVBGGWZRQDHN-GOSISDBHSA-N 0 2 371.393 3.143 20 5 FGBDLN O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000184215083 496289958 /nfs/dbraw/zinc/28/99/58/496289958.db2.gz XMESCXFVXSWUMV-INIZCTEOSA-N 0 2 368.349 3.281 20 5 FGBDLN CC(C)c1nc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)n[nH]1 ZINC000184686969 496493586 /nfs/dbraw/zinc/49/35/86/496493586.db2.gz TXQANVLFFPRZOW-UHFFFAOYSA-N 0 2 367.365 3.461 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000157758239 496547209 /nfs/dbraw/zinc/54/72/09/496547209.db2.gz FMUQGRNKAFHQMQ-UHFFFAOYSA-N 0 2 359.357 3.156 20 5 FGBDLN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000181926905 496602240 /nfs/dbraw/zinc/60/22/40/496602240.db2.gz CVLPSGBCIOBOCX-KDOFPFPSSA-N 0 2 356.378 3.198 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Br)c1F ZINC000192192369 497028558 /nfs/dbraw/zinc/02/85/58/497028558.db2.gz WOBMICDUGVTIKN-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000192565437 497151359 /nfs/dbraw/zinc/15/13/59/497151359.db2.gz JJGYPMXKUPEBPP-CYBMUJFWSA-N 0 2 350.758 3.071 20 5 FGBDLN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000192565420 497151434 /nfs/dbraw/zinc/15/14/34/497151434.db2.gz JJGYPMXKUPEBPP-ZDUSSCGKSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189864560 497272467 /nfs/dbraw/zinc/27/24/67/497272467.db2.gz DOQFMMOTXCRTKT-UHFFFAOYSA-N 0 2 354.362 3.009 20 5 FGBDLN COc1cc(F)c(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000575102088 505921058 /nfs/dbraw/zinc/92/10/58/505921058.db2.gz ODRITUKSSWEOGB-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194739790 497755506 /nfs/dbraw/zinc/75/55/06/497755506.db2.gz AVBPYEPWQVAFMA-UHFFFAOYSA-N 0 2 352.293 3.174 20 5 FGBDLN Cc1ccccc1C1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCOCC1 ZINC000280801079 497902871 /nfs/dbraw/zinc/90/28/71/497902871.db2.gz PJUUKTMKHXWPNG-UHFFFAOYSA-N 0 2 370.405 3.087 20 5 FGBDLN COCCC[C@H](Cc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000575363727 505968224 /nfs/dbraw/zinc/96/82/24/505968224.db2.gz GVWLUNDKVKYGCZ-OAHLLOKOSA-N 0 2 358.394 3.068 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000575431509 505975822 /nfs/dbraw/zinc/97/58/22/505975822.db2.gz CDPQAABTNQSXAU-DLBZAZTESA-N 0 2 356.378 3.394 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000575431509 505975826 /nfs/dbraw/zinc/97/58/26/505975826.db2.gz CDPQAABTNQSXAU-DLBZAZTESA-N 0 2 356.378 3.394 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000572553803 505996153 /nfs/dbraw/zinc/99/61/53/505996153.db2.gz DAASOWJLHZJRIC-CYBMUJFWSA-N 0 2 362.769 3.247 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2ncccc2Cl)CC1 ZINC000372907933 499193221 /nfs/dbraw/zinc/19/32/21/499193221.db2.gz BJGJRHOTAYNUCP-UHFFFAOYSA-N 0 2 361.785 3.369 20 5 FGBDLN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])CC3 ZINC000367528094 499209169 /nfs/dbraw/zinc/20/91/69/499209169.db2.gz VVEYHBRXINQLGW-GFCCVEGCSA-N 0 2 365.389 3.377 20 5 FGBDLN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000367754861 499230988 /nfs/dbraw/zinc/23/09/88/499230988.db2.gz XWRPEFPNBZBURQ-QILLFSRXSA-N 0 2 370.405 3.382 20 5 FGBDLN Cc1ccc(-c2cnccn2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000373509575 499474019 /nfs/dbraw/zinc/47/40/19/499474019.db2.gz OGLXNKRWOFJGCB-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CC(C)C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000424957266 499977134 /nfs/dbraw/zinc/97/71/34/499977134.db2.gz SIXXXSGWSOSFEJ-GFCCVEGCSA-N 0 2 366.414 3.034 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000437321062 500629637 /nfs/dbraw/zinc/62/96/37/500629637.db2.gz ADBYAIPCRFJENP-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2O1 ZINC000442834245 500632371 /nfs/dbraw/zinc/63/23/71/500632371.db2.gz JGMBCKOKUJWVOY-MRXNPFEDSA-N 0 2 364.379 3.293 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437387625 500638992 /nfs/dbraw/zinc/63/89/92/500638992.db2.gz RCZBUNGTQAJBGH-GXFFZTMASA-N 0 2 350.733 3.379 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(F)c1Cl ZINC000439187027 500868097 /nfs/dbraw/zinc/86/80/97/500868097.db2.gz CIAJZESIHWGQDO-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000436600924 501167778 /nfs/dbraw/zinc/16/77/78/501167778.db2.gz AEKVTVBGRYDLIW-UHFFFAOYSA-N 0 2 364.379 3.002 20 5 FGBDLN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436671001 501184429 /nfs/dbraw/zinc/18/44/29/501184429.db2.gz TWNKINYSPAOQMS-LLVKDONJSA-N 0 2 354.366 3.161 20 5 FGBDLN COc1cc2c(cc1Cl)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000436777381 501210346 /nfs/dbraw/zinc/21/03/46/501210346.db2.gz MYPJOHACSTYVNC-UHFFFAOYSA-N 0 2 362.769 3.161 20 5 FGBDLN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436799145 501212952 /nfs/dbraw/zinc/21/29/52/501212952.db2.gz XDKJGGKBPLYLIO-LBPRGKRZSA-N 0 2 368.311 3.451 20 5 FGBDLN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436829051 501218139 /nfs/dbraw/zinc/21/81/39/501218139.db2.gz AAMAXIOALWIUJR-HNNXBMFYSA-N 0 2 364.785 3.414 20 5 FGBDLN O=C(NCCc1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436870492 501225153 /nfs/dbraw/zinc/22/51/53/501225153.db2.gz PUKKGRLEQOWCEL-UHFFFAOYSA-N 0 2 371.212 3.097 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cc(C)cnc2OC(C)C)cc1[N+](=O)[O-] ZINC000451069999 501243182 /nfs/dbraw/zinc/24/31/82/501243182.db2.gz NDYUBTMOOVNGLQ-UHFFFAOYSA-N 0 2 371.440 3.256 20 5 FGBDLN Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602665363 506251241 /nfs/dbraw/zinc/25/12/41/506251241.db2.gz HPNIKMNRGAPOJO-LBPRGKRZSA-N 0 2 354.332 3.337 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592828925 506268370 /nfs/dbraw/zinc/26/83/70/506268370.db2.gz WHBADGDVGKCXKW-KRWDZBQOSA-N 0 2 370.405 3.104 20 5 FGBDLN CCOc1cc(C(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])on1 ZINC000459902472 501721734 /nfs/dbraw/zinc/72/17/34/501721734.db2.gz OVUHMLHORCIZRK-UHFFFAOYSA-N 0 2 365.342 3.031 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C2CCCCC2)n[nH]1 ZINC000474410113 501826449 /nfs/dbraw/zinc/82/64/49/501826449.db2.gz HDWKREQPYGDEJL-UHFFFAOYSA-N 0 2 364.427 3.475 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OCC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000481977162 501933315 /nfs/dbraw/zinc/93/33/15/501933315.db2.gz XDUVMPRRUKVEKP-UHFFFAOYSA-N 0 2 372.349 3.348 20 5 FGBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000485879791 501973011 /nfs/dbraw/zinc/97/30/11/501973011.db2.gz BRIVGSJBQSODEO-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])sc1Br ZINC000486098901 502046404 /nfs/dbraw/zinc/04/64/04/502046404.db2.gz BKCIJBFEWCMUKR-IHWYPQMZSA-N 0 2 358.173 3.099 20 5 FGBDLN O=C(Nc1nccn1Cc1ccccc1Cl)c1cccc(O)c1[N+](=O)[O-] ZINC000486456685 502159684 /nfs/dbraw/zinc/15/96/84/502159684.db2.gz FFWVRSPGLAWBKZ-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000471976909 502189505 /nfs/dbraw/zinc/18/95/05/502189505.db2.gz HDSFCMBNINZAJL-UHFFFAOYSA-N 0 2 374.777 3.077 20 5 FGBDLN Cc1ccsc1-c1nc(=NC(=O)c2ccc([N+](=O)[O-])s2)s[nH]1 ZINC000472255950 502286362 /nfs/dbraw/zinc/28/63/62/502286362.db2.gz IXZFZAAQOIBJFD-UHFFFAOYSA-N 0 2 352.422 3.219 20 5 FGBDLN O=C(NCc1ccccc1OC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000469444502 502420862 /nfs/dbraw/zinc/42/08/62/502420862.db2.gz MNGJYVKKPZENTH-UHFFFAOYSA-N 0 2 356.256 3.129 20 5 FGBDLN CCc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)oc1CC ZINC000487652777 502498260 /nfs/dbraw/zinc/49/82/60/502498260.db2.gz JWXTWXYGUKIETQ-UHFFFAOYSA-N 0 2 355.354 3.350 20 5 FGBDLN O=C(Nc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1)c1ccoc1 ZINC000509546730 502931871 /nfs/dbraw/zinc/93/18/71/502931871.db2.gz VWJLGESJGLZWGA-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN O=C(Cc1cscc1Br)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000499069789 503326380 /nfs/dbraw/zinc/32/63/80/503326380.db2.gz XEXFOQOLRINESA-UHFFFAOYSA-N 0 2 357.185 3.306 20 5 FGBDLN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000492630073 503377816 /nfs/dbraw/zinc/37/78/16/503377816.db2.gz LPGNBUAFSWUIJH-JKSUJKDBSA-N 0 2 356.378 3.276 20 5 FGBDLN O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503374278 503396743 /nfs/dbraw/zinc/39/67/43/503396743.db2.gz JRFALIQREMLQAO-INIZCTEOSA-N 0 2 370.453 3.386 20 5 FGBDLN COc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000494149681 503495430 /nfs/dbraw/zinc/49/54/30/503495430.db2.gz QWGHSRKJANEQRZ-UHFFFAOYSA-N 0 2 370.283 3.258 20 5 FGBDLN CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1C ZINC000536702450 503687803 /nfs/dbraw/zinc/68/78/03/503687803.db2.gz HAJMRZJSUYOSNU-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)c1 ZINC000544622953 504195232 /nfs/dbraw/zinc/19/52/32/504195232.db2.gz BXIDLXAESFUYTB-UHFFFAOYSA-N 0 2 364.427 3.393 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cccc1[N+](=O)[O-] ZINC000538754394 504358357 /nfs/dbraw/zinc/35/83/57/504358357.db2.gz MTCLWPQMBFCGLX-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)sc1C ZINC000542714243 504585482 /nfs/dbraw/zinc/58/54/82/504585482.db2.gz UEJBFTNYSNBYJN-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000542930888 504663674 /nfs/dbraw/zinc/66/36/74/504663674.db2.gz YAJBVTBZLIAELW-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000536496296 504748545 /nfs/dbraw/zinc/74/85/45/504748545.db2.gz GVVKKGVCULKXGC-LLVKDONJSA-N 0 2 364.427 3.441 20 5 FGBDLN CC(C)[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000539980175 504753238 /nfs/dbraw/zinc/75/32/38/504753238.db2.gz KHGQIVQZXZCTFZ-KRWDZBQOSA-N 0 2 372.377 3.199 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000536519740 504753458 /nfs/dbraw/zinc/75/34/58/504753458.db2.gz FLGSCQKGFOHWQO-UHFFFAOYSA-N 0 2 362.407 3.283 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](OCCCc2ccccc2)C1 ZINC000556902839 505011905 /nfs/dbraw/zinc/01/19/05/505011905.db2.gz YDQLOSQGHQWLFR-KRWDZBQOSA-N 0 2 370.405 3.164 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000556982681 505038048 /nfs/dbraw/zinc/03/80/48/505038048.db2.gz CQBCEUOJTJLPRJ-DYVFJYSZSA-N 0 2 360.341 3.090 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cc(F)cc(F)c3)sc2c1 ZINC000550652444 505080696 /nfs/dbraw/zinc/08/06/96/505080696.db2.gz IRVJPUJXLCRXIC-UHFFFAOYSA-N 0 2 371.346 3.284 20 5 FGBDLN COc1ccccc1S(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000551038643 505146612 /nfs/dbraw/zinc/14/66/12/505146612.db2.gz AGPAZIGRZHBQPE-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc([C@H](C)OC)c2)c([N+](=O)[O-])c1 ZINC000608875270 506733417 /nfs/dbraw/zinc/73/34/17/506733417.db2.gz LCGXEYNLBPCIIA-NSHDSACASA-N 0 2 366.395 3.112 20 5 FGBDLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000608927921 506744429 /nfs/dbraw/zinc/74/44/29/506744429.db2.gz QPZILQZFEYHTBR-NSHDSACASA-N 0 2 370.406 3.338 20 5 FGBDLN COCc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000609203244 506813161 /nfs/dbraw/zinc/81/31/61/506813161.db2.gz XPQZHZJCCKTNMK-UHFFFAOYSA-N 0 2 359.363 3.309 20 5 FGBDLN CC[C@H](C)Oc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000590777272 506948575 /nfs/dbraw/zinc/94/85/75/506948575.db2.gz FIALRNJEWRJYMK-STUBTGCMSA-N 0 2 361.354 3.152 20 5 FGBDLN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[nH]nc1C ZINC000609644833 506959681 /nfs/dbraw/zinc/95/96/81/506959681.db2.gz UNAXYIUCRUSKFZ-UHFFFAOYSA-N 0 2 364.361 3.468 20 5 FGBDLN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000600673701 507058968 /nfs/dbraw/zinc/05/89/68/507058968.db2.gz HZMYNIPNMOGEKY-QGZVFWFLSA-N 0 2 360.366 3.159 20 5 FGBDLN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2occc2[C@@H]1C(=O)[O-] ZINC000600673701 507058973 /nfs/dbraw/zinc/05/89/73/507058973.db2.gz HZMYNIPNMOGEKY-QGZVFWFLSA-N 0 2 360.366 3.159 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000610124526 507106882 /nfs/dbraw/zinc/10/68/82/507106882.db2.gz SCBQPQXNOVSUDI-UHFFFAOYSA-N 0 2 362.407 3.493 20 5 FGBDLN COc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1F ZINC000600778325 507117036 /nfs/dbraw/zinc/11/70/36/507117036.db2.gz WVBMGUWOBNHCHR-LBPRGKRZSA-N 0 2 360.341 3.078 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598501592 507458856 /nfs/dbraw/zinc/45/88/56/507458856.db2.gz KAOSFUNAEFMEOM-UHFFFAOYSA-N 0 2 366.373 3.381 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1C ZINC000598714854 507565326 /nfs/dbraw/zinc/56/53/26/507565326.db2.gz UZNNGUZSDSWDDX-NSHDSACASA-N 0 2 366.443 3.488 20 5 FGBDLN CSc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccn1 ZINC000611231575 507571878 /nfs/dbraw/zinc/57/18/78/507571878.db2.gz ZKVKNOQERCLKTQ-UHFFFAOYSA-N 0 2 359.816 3.166 20 5 FGBDLN Cc1cccn2cc(CCNc3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])[nH+]c12 ZINC000832981570 601200802 /nfs/dbraw/zinc/20/08/02/601200802.db2.gz CAWKBNBFPSZZMM-FNORWQNLSA-N 0 2 366.377 3.303 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)cs1 ZINC000120180052 700650108 /nfs/dbraw/zinc/65/01/08/700650108.db2.gz MVBDEJCBQNVMMK-UHFFFAOYSA-N 0 2 350.324 3.059 20 5 FGBDLN O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000157268122 705149306 /nfs/dbraw/zinc/14/93/06/705149306.db2.gz PQMZWWZJVVLZLD-ONNFQVAWSA-N 0 2 361.697 3.355 20 5 FGBDLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000524550311 714288252 /nfs/dbraw/zinc/28/82/52/714288252.db2.gz NSVVCNBGARGKQP-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000619466328 714839686 /nfs/dbraw/zinc/83/96/86/714839686.db2.gz PFERVOWJUCPNQK-UHFFFAOYSA-N 0 2 362.407 3.283 20 5 FGBDLN C[C@H](O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000795388942 723587615 /nfs/dbraw/zinc/58/76/15/723587615.db2.gz SCVLDMCIYDVPBX-QMMMGPOBSA-N 0 2 374.777 3.241 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2ccccc2)n1 ZINC000057734476 493792135 /nfs/dbraw/zinc/79/21/35/493792135.db2.gz PWAJSGXIOBEIAP-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000057786309 493797908 /nfs/dbraw/zinc/79/79/08/493797908.db2.gz IPWALBBDYVFOMB-UHFFFAOYSA-N 0 2 365.305 3.084 20 5 FGBDLN O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000076368200 493876044 /nfs/dbraw/zinc/87/60/44/493876044.db2.gz IKAOKWNRBHJJLW-UHFFFAOYSA-N 0 2 358.247 3.388 20 5 FGBDLN Cc1nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2o1 ZINC000060442440 493934009 /nfs/dbraw/zinc/93/40/09/493934009.db2.gz KWXMAALHYUWJSW-UHFFFAOYSA-N 0 2 361.379 3.462 20 5 FGBDLN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077025485 494010811 /nfs/dbraw/zinc/01/08/11/494010811.db2.gz FLLIDRGZVJTTIG-QLJPJBMISA-N 0 2 364.785 3.460 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)ccc1F ZINC000089531686 494321662 /nfs/dbraw/zinc/32/16/62/494321662.db2.gz CMFKAMLFZOGXDV-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073410185 494367883 /nfs/dbraw/zinc/36/78/83/494367883.db2.gz JNSCTQJVVZAEBJ-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN CCC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055616639 494373483 /nfs/dbraw/zinc/37/34/83/494373483.db2.gz HSUVPLQEKGIPQK-UHFFFAOYSA-N 0 2 363.395 3.053 20 5 FGBDLN CN(Cc1ccc(Br)s1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018108319 494424549 /nfs/dbraw/zinc/42/45/49/494424549.db2.gz VRZDKAVCNXTIPG-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN Cc1ccn(-c2ccccc2NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000126110514 494640303 /nfs/dbraw/zinc/64/03/03/494640303.db2.gz GXVXBLMBRNROOF-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC(=O)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)C(C)C ZINC000116981888 494879405 /nfs/dbraw/zinc/87/94/05/494879405.db2.gz DJDFKJAZPSBXGU-UHFFFAOYSA-N 0 2 371.393 3.310 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000093930815 494936325 /nfs/dbraw/zinc/93/63/25/494936325.db2.gz MLNWMDRXLXSFGQ-UHFFFAOYSA-N 0 2 374.777 3.335 20 5 FGBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cccc1C(=O)N1CCCC1 ZINC000133194535 494983168 /nfs/dbraw/zinc/98/31/68/494983168.db2.gz NHELHDCDSINKPS-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000133347098 495003589 /nfs/dbraw/zinc/00/35/89/495003589.db2.gz OCKAVMOLGBSOKZ-RDTXWAMCSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC(F)F ZINC000102632282 495147871 /nfs/dbraw/zinc/14/78/71/495147871.db2.gz UZHFIUACJOCXTG-UHFFFAOYSA-N 0 2 372.349 3.348 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000119600939 495199020 /nfs/dbraw/zinc/19/90/20/495199020.db2.gz ITGOIDJXKJKCNE-UHFFFAOYSA-N 0 2 370.405 3.248 20 5 FGBDLN COc1cc(F)cc2sc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000103533032 495246834 /nfs/dbraw/zinc/24/68/34/495246834.db2.gz QDYYUJFMTNQPHG-UHFFFAOYSA-N 0 2 363.326 3.310 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](c1ccccc1)N1CCSCC1 ZINC000124963103 495370643 /nfs/dbraw/zinc/37/06/43/495370643.db2.gz KTKXETUVGPRVJO-KRWDZBQOSA-N 0 2 373.434 3.029 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cnoc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000182484960 495581450 /nfs/dbraw/zinc/58/14/50/495581450.db2.gz AYKJXPNZGCDMFN-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN O=C(Nc1ccc(Br)c(F)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000182871234 495734879 /nfs/dbraw/zinc/73/48/79/495734879.db2.gz UOBDBFCKXBOPGJ-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1C ZINC000171341461 495828051 /nfs/dbraw/zinc/82/80/51/495828051.db2.gz MNBALILZAVSFML-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183347125 495941987 /nfs/dbraw/zinc/94/19/87/495941987.db2.gz ZQXXYNJICLLGRP-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000155526809 495983458 /nfs/dbraw/zinc/98/34/58/495983458.db2.gz VGJDWDUUMJISNE-UHFFFAOYSA-N 0 2 359.169 3.141 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000177752528 496182401 /nfs/dbraw/zinc/18/24/01/496182401.db2.gz QFPHHPDXBKHQHF-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)ccc1[N+](=O)[O-] ZINC000172351430 496266003 /nfs/dbraw/zinc/26/60/03/496266003.db2.gz COSREARUEMXVFM-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)cc1[N+](=O)[O-] ZINC000181103438 496271504 /nfs/dbraw/zinc/27/15/04/496271504.db2.gz SGKAVHYNSNGGGL-UHFFFAOYSA-N 0 2 364.427 3.095 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C2CCCC2)nn1C ZINC000181105301 496271731 /nfs/dbraw/zinc/27/17/31/496271731.db2.gz SNTHAVKLJNNEIQ-UHFFFAOYSA-N 0 2 364.427 3.095 20 5 FGBDLN CCn1ncc2ccc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc21 ZINC000162656243 496391270 /nfs/dbraw/zinc/39/12/70/496391270.db2.gz TVUXGEHFCAFTOO-UHFFFAOYSA-N 0 2 374.422 3.382 20 5 FGBDLN COc1ccc(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000184598568 496458629 /nfs/dbraw/zinc/45/86/29/496458629.db2.gz UFKGTSCHFPXAQR-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1)CC1CCOCC1 ZINC000184771418 496525709 /nfs/dbraw/zinc/52/57/09/496525709.db2.gz QTMIHJUKOYQVIO-UHFFFAOYSA-N 0 2 370.405 3.369 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000184857557 496561351 /nfs/dbraw/zinc/56/13/51/496561351.db2.gz GZCAYSCFTQQQDT-CQSZACIVSA-N 0 2 354.362 3.178 20 5 FGBDLN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000164286647 496601968 /nfs/dbraw/zinc/60/19/68/496601968.db2.gz YFLCAVCSULYGOO-CHWSQXEVSA-N 0 2 371.393 3.166 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000165146110 496650006 /nfs/dbraw/zinc/65/00/06/496650006.db2.gz LMRRFFOPTZEREI-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000182155154 496690279 /nfs/dbraw/zinc/69/02/79/496690279.db2.gz ITUFHKURONIFLW-GUYCJALGSA-N 0 2 356.378 3.198 20 5 FGBDLN CSc1cccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1[N+](=O)[O-] ZINC000188126020 496693145 /nfs/dbraw/zinc/69/31/45/496693145.db2.gz RKMNZTXSTLCHIP-UHFFFAOYSA-N 0 2 373.369 3.493 20 5 FGBDLN O=C(N[C@H](c1nccs1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000185192212 496699017 /nfs/dbraw/zinc/69/90/17/496699017.db2.gz NMGHCYLECGOHSQ-HNNXBMFYSA-N 0 2 355.375 3.276 20 5 FGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273621890 496856279 /nfs/dbraw/zinc/85/62/79/496856279.db2.gz ZJIWTHYPCINBHX-KBXCAEBGSA-N 0 2 374.368 3.432 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1[N+](=O)[O-] ZINC000191903405 496926973 /nfs/dbraw/zinc/92/69/73/496926973.db2.gz MEVUQOFLEHMEDU-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN COc1cccc(OC)c1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000274717483 497151160 /nfs/dbraw/zinc/15/11/60/497151160.db2.gz CXOFVJGUCYLHBV-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000189555235 497162103 /nfs/dbraw/zinc/16/21/03/497162103.db2.gz LENFZVHTQYAYHW-UHFFFAOYSA-N 0 2 369.377 3.001 20 5 FGBDLN Cc1nn(CCC(=O)Nc2cc(Cl)cc(Cl)c2O)c(C)c1[N+](=O)[O-] ZINC000271270038 497308247 /nfs/dbraw/zinc/30/82/47/497308247.db2.gz ILQFLTQDJGKUKT-UHFFFAOYSA-N 0 2 373.196 3.449 20 5 FGBDLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000194778310 497768304 /nfs/dbraw/zinc/76/83/04/497768304.db2.gz GBZGOBGUAWTOTM-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CC(C)n1c(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])nc2ccccc21 ZINC000280698757 497862868 /nfs/dbraw/zinc/86/28/68/497862868.db2.gz FCQGILQBIFFDIG-UHFFFAOYSA-N 0 2 368.393 3.204 20 5 FGBDLN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000292122121 497888515 /nfs/dbraw/zinc/88/85/15/497888515.db2.gz RNEXAJLWBJXCPC-GOSISDBHSA-N 0 2 368.389 3.124 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)cc1[O-] ZINC000350639804 498126836 /nfs/dbraw/zinc/12/68/36/498126836.db2.gz YNPZTDLFWUYWFO-UHFFFAOYSA-N 0 2 363.333 3.262 20 5 FGBDLN CCOCCOCc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000575855561 506019200 /nfs/dbraw/zinc/01/92/00/506019200.db2.gz HGGPBVBNYIUTSH-UHFFFAOYSA-N 0 2 374.393 3.414 20 5 FGBDLN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000578808645 506025115 /nfs/dbraw/zinc/02/51/15/506025115.db2.gz NMULDXUXESIGEV-CYBMUJFWSA-N 0 2 368.311 3.451 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000298034286 498644316 /nfs/dbraw/zinc/64/43/16/498644316.db2.gz DWGAZTCFTIQEAT-SWLSCSKDSA-N 0 2 362.407 3.090 20 5 FGBDLN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]2C ZINC000332527081 498713593 /nfs/dbraw/zinc/71/35/93/498713593.db2.gz PIWDHIMHQBIDEI-RYUDHWBXSA-N 0 2 356.378 3.457 20 5 FGBDLN CN(Cc1cccc(Br)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000318610874 498798388 /nfs/dbraw/zinc/79/83/88/498798388.db2.gz WXJADFVBTCMXOK-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN Cc1cc(N2CCC3(C[C@@H]3C(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000570283251 506132440 /nfs/dbraw/zinc/13/24/40/506132440.db2.gz OSPJHHPAZRYENB-OAHLLOKOSA-N 0 2 368.393 3.051 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000414378016 499783464 /nfs/dbraw/zinc/78/34/64/499783464.db2.gz BXAFAJXTTWESQG-JTQLQIEISA-N 0 2 364.427 3.316 20 5 FGBDLN O=C(NCc1nc2cc(Cl)ccc2s1)c1cc([N+](=O)[O-])ccc1O ZINC000436968075 500582123 /nfs/dbraw/zinc/58/21/23/500582123.db2.gz SAQIITLYCZBRHP-UHFFFAOYSA-N 0 2 363.782 3.494 20 5 FGBDLN O=C(NCCCCOCCc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436972390 500583853 /nfs/dbraw/zinc/58/38/53/500583853.db2.gz OFSINTLCQIQNTP-UHFFFAOYSA-N 0 2 358.394 3.070 20 5 FGBDLN COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436988054 500587403 /nfs/dbraw/zinc/58/74/03/500587403.db2.gz JMRDHGJPEAFKAK-UHFFFAOYSA-N 0 2 358.350 3.003 20 5 FGBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(O)c1 ZINC000443525878 500733942 /nfs/dbraw/zinc/73/39/42/500733942.db2.gz BKIQCDHOSUNJQX-UHFFFAOYSA-N 0 2 350.396 3.399 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000434967336 500916832 /nfs/dbraw/zinc/91/68/32/500916832.db2.gz ODMQOLLGRKOLBR-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c(C)c1 ZINC000434967336 500916834 /nfs/dbraw/zinc/91/68/34/500916834.db2.gz ODMQOLLGRKOLBR-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc2[nH]ccc2cc1C ZINC000436190650 501086842 /nfs/dbraw/zinc/08/68/42/501086842.db2.gz WWHOXKTVBOXDMB-UHFFFAOYSA-N 0 2 361.379 3.194 20 5 FGBDLN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000436508155 501143177 /nfs/dbraw/zinc/14/31/77/501143177.db2.gz CAVXZEFXYGJUGG-GOSISDBHSA-N 0 2 362.332 3.459 20 5 FGBDLN O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccc([N+](=O)[O-])cc1O ZINC000436594754 501165898 /nfs/dbraw/zinc/16/58/98/501165898.db2.gz IRSXLEOBYARLQK-SFHVURJKSA-N 0 2 368.389 3.124 20 5 FGBDLN CC(=O)Nc1nc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2s1 ZINC000436635558 501174794 /nfs/dbraw/zinc/17/47/94/501174794.db2.gz LPFYHKLJGDYEQO-UHFFFAOYSA-N 0 2 372.362 3.121 20 5 FGBDLN O=C(NCc1ccsc1Br)c1cc([N+](=O)[O-])ccc1O ZINC000436665713 501182555 /nfs/dbraw/zinc/18/25/55/501182555.db2.gz SJLJWGUYEROMAW-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436677675 501186322 /nfs/dbraw/zinc/18/63/22/501186322.db2.gz DFOQQKHVUAXIJC-SNVBAGLBSA-N 0 2 357.391 3.271 20 5 FGBDLN CC1(C)CC(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2O1 ZINC000436839211 501219544 /nfs/dbraw/zinc/21/95/44/501219544.db2.gz NHRSSMIQIPGDMJ-UHFFFAOYSA-N 0 2 356.334 3.297 20 5 FGBDLN CC1(C)CC(=O)c2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2O1 ZINC000436841254 501219638 /nfs/dbraw/zinc/21/96/38/501219638.db2.gz UAENFGREZLGWIA-UHFFFAOYSA-N 0 2 356.334 3.297 20 5 FGBDLN O=C(Nc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])cc1O ZINC000436871955 501224860 /nfs/dbraw/zinc/22/48/60/501224860.db2.gz VFKJOCXHHRYPRN-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(C)C ZINC000436873727 501225572 /nfs/dbraw/zinc/22/55/72/501225572.db2.gz SNYVNOKTQJTZOF-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN CC(=O)Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3O)sc2c1 ZINC000436883591 501227333 /nfs/dbraw/zinc/22/73/33/501227333.db2.gz GORCYGMTAAKQRS-UHFFFAOYSA-N 0 2 372.362 3.121 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468901595 502222719 /nfs/dbraw/zinc/22/27/19/502222719.db2.gz IKPRNRUBWYOVCT-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)C1=NN(c2ccccc2)CC1=O ZINC000469234170 502345196 /nfs/dbraw/zinc/34/51/96/502345196.db2.gz KRXAKSAZPLYBRG-UHFFFAOYSA-N 0 2 372.768 3.070 20 5 FGBDLN C[C@H](Oc1cnc2ccccc2c1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000472506551 502373302 /nfs/dbraw/zinc/37/33/02/502373302.db2.gz WYUDYQUGONCKFA-NSHDSACASA-N 0 2 353.334 3.255 20 5 FGBDLN CC[C@@](C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000462313411 502388946 /nfs/dbraw/zinc/38/89/46/502388946.db2.gz MJFAXEVWLSLUHA-CQSZACIVSA-N 0 2 373.431 3.103 20 5 FGBDLN COc1cccc(-c2nc(=NC(=O)c3ccc([N+](=O)[O-])c(C)c3)s[nH]2)c1 ZINC000476321439 502456210 /nfs/dbraw/zinc/45/62/10/502456210.db2.gz HUFUCFJWBPESQT-UHFFFAOYSA-N 0 2 370.390 3.105 20 5 FGBDLN CC(C)n1c(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc2ccccc21 ZINC000469704654 502508405 /nfs/dbraw/zinc/50/84/05/502508405.db2.gz YEXDNLUCBCWMBA-UHFFFAOYSA-N 0 2 368.393 3.204 20 5 FGBDLN COc1ccc2c(c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)CCC2 ZINC000480246338 502512827 /nfs/dbraw/zinc/51/28/27/502512827.db2.gz YROZAZWNCSYQDJ-UHFFFAOYSA-N 0 2 362.407 3.201 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000469870750 502577248 /nfs/dbraw/zinc/57/72/48/502577248.db2.gz DTDZDCQKEDMJNL-AWEZNQCLSA-N 0 2 362.769 3.247 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc(C)c(Cl)s2)cc1[N+](=O)[O-] ZINC000473495090 502610289 /nfs/dbraw/zinc/61/02/89/502610289.db2.gz YQIBKYGAZKDQSG-UHFFFAOYSA-N 0 2 362.816 3.428 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484433523 502642016 /nfs/dbraw/zinc/64/20/16/502642016.db2.gz BZDIHVGVISSFGJ-UHFFFAOYSA-N 0 2 352.416 3.091 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000484447743 502644802 /nfs/dbraw/zinc/64/48/02/502644802.db2.gz ZWLZKIYSHDOPID-UHFFFAOYSA-N 0 2 366.443 3.399 20 5 FGBDLN Cc1c(CNC(=O)N=c2ccc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000484495321 502654248 /nfs/dbraw/zinc/65/42/48/502654248.db2.gz FBPDKSFXVOEDQO-UHFFFAOYSA-N 0 2 363.377 3.104 20 5 FGBDLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000509220933 502853000 /nfs/dbraw/zinc/85/30/00/502853000.db2.gz SPLNKSIDVJQPOU-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccnc2OC(C)C)cc1C ZINC000497554421 502986954 /nfs/dbraw/zinc/98/69/54/502986954.db2.gz CRTZLCOKYGKILX-UHFFFAOYSA-N 0 2 365.411 3.195 20 5 FGBDLN CC(C)NC(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509794477 502987391 /nfs/dbraw/zinc/98/73/91/502987391.db2.gz QWCNOTAYLVXPEO-UHFFFAOYSA-N 0 2 358.354 3.083 20 5 FGBDLN COc1cc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1SC ZINC000509826631 502992721 /nfs/dbraw/zinc/99/27/21/502992721.db2.gz IUGQWOYSOVJZGN-UHFFFAOYSA-N 0 2 362.407 3.303 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000513814870 503028742 /nfs/dbraw/zinc/02/87/42/503028742.db2.gz IZMVBIUCFHFUFK-UHFFFAOYSA-N 0 2 356.787 3.317 20 5 FGBDLN Cc1cc(Cl)ccc1OCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000506744624 503164196 /nfs/dbraw/zinc/16/41/96/503164196.db2.gz SNYMPJPUMQGRNH-UHFFFAOYSA-N 0 2 364.785 3.461 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000511326878 503300703 /nfs/dbraw/zinc/30/07/03/503300703.db2.gz SUBCFDFQZBJPJZ-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507660552 503340756 /nfs/dbraw/zinc/34/07/56/503340756.db2.gz NTGQVZMPRCOADT-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000493104893 503406990 /nfs/dbraw/zinc/40/69/90/503406990.db2.gz KJBIHFRYPHKGIW-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)n1 ZINC000504549874 503587367 /nfs/dbraw/zinc/58/73/67/503587367.db2.gz YKEQJBNWMYYVAL-UHFFFAOYSA-N 0 2 355.441 3.367 20 5 FGBDLN CC(C)Oc1c(F)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000543165414 503654761 /nfs/dbraw/zinc/65/47/61/503654761.db2.gz BAAFEZWWXUWYTN-UHFFFAOYSA-N 0 2 372.349 3.461 20 5 FGBDLN CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537732645 504020109 /nfs/dbraw/zinc/02/01/09/504020109.db2.gz RTWMBIPGWFNKKX-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1scnc1C1CC1 ZINC000534234122 504079100 /nfs/dbraw/zinc/07/91/00/504079100.db2.gz AHOGZJJCPMIPCO-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000544521172 504161234 /nfs/dbraw/zinc/16/12/34/504161234.db2.gz JDCRHKRNPDSFOZ-UHFFFAOYSA-N 0 2 364.379 3.408 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000538258457 504179019 /nfs/dbraw/zinc/17/90/19/504179019.db2.gz YUXYECOKLAHLJS-UHFFFAOYSA-N 0 2 373.390 3.399 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000538313768 504202979 /nfs/dbraw/zinc/20/29/79/504202979.db2.gz PYADZFCIFYSTDF-HNNXBMFYSA-N 0 2 356.378 3.122 20 5 FGBDLN CC(C)Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C(F)F ZINC000534854193 504260341 /nfs/dbraw/zinc/26/03/41/504260341.db2.gz XLUWDPJLBKFSFD-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN Cc1cc(C)n(-c2ccc(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)n1 ZINC000538871045 504400355 /nfs/dbraw/zinc/40/03/55/504400355.db2.gz LHWANHSUQCCRGW-UHFFFAOYSA-N 0 2 366.377 3.284 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000562311583 504780223 /nfs/dbraw/zinc/78/02/23/504780223.db2.gz PMUHXLYUUXYWID-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000565766783 504981967 /nfs/dbraw/zinc/98/19/67/504981967.db2.gz WHSQRRRHDQBLGM-QGZVFWFLSA-N 0 2 366.295 3.290 20 5 FGBDLN CC(C)(C)c1csc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000553804460 505016239 /nfs/dbraw/zinc/01/62/39/505016239.db2.gz NHTFYLFFTGYTPX-UHFFFAOYSA-N 0 2 369.468 3.333 20 5 FGBDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000552626464 505524299 /nfs/dbraw/zinc/52/42/99/505524299.db2.gz XZRFPCGYURBKIY-UHFFFAOYSA-N 0 2 365.305 3.084 20 5 FGBDLN CCCOc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000603975380 506678614 /nfs/dbraw/zinc/67/86/14/506678614.db2.gz WNEOFZDMMOTQRT-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000608927796 506744133 /nfs/dbraw/zinc/74/41/33/506744133.db2.gz PACDPTRVTYEZNK-GFCCVEGCSA-N 0 2 352.416 3.199 20 5 FGBDLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000608927540 506744170 /nfs/dbraw/zinc/74/41/70/506744170.db2.gz BEHMPBCNKJVGDQ-GFCCVEGCSA-N 0 2 352.416 3.199 20 5 FGBDLN C[C@]1(c2ccccc2)C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593736369 506754925 /nfs/dbraw/zinc/75/49/25/506754925.db2.gz JXRBABFISZKUFF-LJQANCHMSA-N 0 2 356.378 3.041 20 5 FGBDLN C[C@]1(c2ccccc2)C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593736369 506754932 /nfs/dbraw/zinc/75/49/32/506754932.db2.gz JXRBABFISZKUFF-LJQANCHMSA-N 0 2 356.378 3.041 20 5 FGBDLN O=C([O-])[C@H]1c2ccoc2CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600674381 507058183 /nfs/dbraw/zinc/05/81/83/507058183.db2.gz LXUXEQIRQILZNW-CQSZACIVSA-N 0 2 370.283 3.391 20 5 FGBDLN O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000600674381 507058185 /nfs/dbraw/zinc/05/81/85/507058185.db2.gz LXUXEQIRQILZNW-CQSZACIVSA-N 0 2 370.283 3.391 20 5 FGBDLN Cc1cc(N2CCC[C@@H](CC(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591326786 507202941 /nfs/dbraw/zinc/20/29/41/507202941.db2.gz IHKNSZZZIRDLIR-ZDUSSCGKSA-N 0 2 356.382 3.051 20 5 FGBDLN COc1cc(C)c(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000594702454 507244899 /nfs/dbraw/zinc/24/48/99/507244899.db2.gz YJAOCLWXPSKPFX-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)c(C)cc1OC ZINC000594701194 507245783 /nfs/dbraw/zinc/24/57/83/507245783.db2.gz VYXBMABSVUEYPW-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])cc1F ZINC000598196808 507307806 /nfs/dbraw/zinc/30/78/06/507307806.db2.gz ACRYDCNJRBCFHY-CQSZACIVSA-N 0 2 360.341 3.425 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Oc2ccccc2F)CC1 ZINC000601739766 507444481 /nfs/dbraw/zinc/44/44/81/507444481.db2.gz MAJDFLBPCACYMR-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598499613 507458041 /nfs/dbraw/zinc/45/80/41/507458041.db2.gz LGRRKLDRBJYJFA-UHFFFAOYSA-N 0 2 366.373 3.381 20 5 FGBDLN CSc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccn1 ZINC000611231338 507572221 /nfs/dbraw/zinc/57/22/21/507572221.db2.gz UKMKMBXZHNVACS-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586803157 507677621 /nfs/dbraw/zinc/67/76/21/507677621.db2.gz VOOKGQWCJNSTHW-XQRVVYSFSA-N 0 2 358.335 3.168 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1CSC ZINC000619468299 714840151 /nfs/dbraw/zinc/84/01/51/714840151.db2.gz QIGKRXAFSVGFNO-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000735607150 722517683 /nfs/dbraw/zinc/51/76/83/722517683.db2.gz IRVVTDSTNFSQCU-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccsc3s2)c(F)c1 ZINC000735607572 722517691 /nfs/dbraw/zinc/51/76/91/722517691.db2.gz NZWKFYWLQBBQRJ-UHFFFAOYSA-N 0 2 359.385 3.206 20 5 FGBDLN Cc1sc(Br)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000764624192 723431934 /nfs/dbraw/zinc/43/19/34/723431934.db2.gz NPEJBLSJPGBLDE-UHFFFAOYSA-N 0 2 358.173 3.080 20 5 FGBDLN COc1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc(Cl)c1OC(C)C ZINC000842488290 730507986 /nfs/dbraw/zinc/50/79/86/730507986.db2.gz XXKCHHNSEDGEND-MWLCHTKSSA-N 0 2 353.762 3.318 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000029837436 493860434 /nfs/dbraw/zinc/86/04/34/493860434.db2.gz LPWRSUDMZURLIB-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN O=C(NCCOc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065753799 494234212 /nfs/dbraw/zinc/23/42/12/494234212.db2.gz RBYUONUZVXOWPU-UHFFFAOYSA-N 0 2 371.176 3.416 20 5 FGBDLN Cn1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121172492 494629092 /nfs/dbraw/zinc/62/90/92/494629092.db2.gz BLGMSOBXVVTXSQ-OAHLLOKOSA-N 0 2 366.425 3.098 20 5 FGBDLN C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000128501204 495106827 /nfs/dbraw/zinc/10/68/27/495106827.db2.gz NZBKLNXHXKXKKZ-KRWDZBQOSA-N 0 2 359.813 3.377 20 5 FGBDLN Cn1ccnc1SCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC000124908150 495363262 /nfs/dbraw/zinc/36/32/62/495363262.db2.gz LNWVIVIYJZBRMV-UHFFFAOYSA-N 0 2 374.378 3.172 20 5 FGBDLN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000121007279 495502137 /nfs/dbraw/zinc/50/21/37/495502137.db2.gz BAPKTJNTTXLLJI-UHFFFAOYSA-N 0 2 366.255 3.448 20 5 FGBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182542627 495606743 /nfs/dbraw/zinc/60/67/43/495606743.db2.gz DNIGNLARPLGZTD-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000179539095 495633533 /nfs/dbraw/zinc/63/35/33/495633533.db2.gz MWEBYEYJDWOUED-QGZVFWFLSA-N 0 2 370.405 3.164 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1C ZINC000176586577 495711012 /nfs/dbraw/zinc/71/10/12/495711012.db2.gz YEHQNCCWMZXKMH-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)CO1 ZINC000174346795 495921245 /nfs/dbraw/zinc/92/12/45/495921245.db2.gz IYUIPJZUNIDJSV-ACJLOTCBSA-N 0 2 356.378 3.211 20 5 FGBDLN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160293267 495927960 /nfs/dbraw/zinc/92/79/60/495927960.db2.gz BHKWIXUBTFGXKX-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN CCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1CC(C)C ZINC000160411128 495957234 /nfs/dbraw/zinc/95/72/34/495957234.db2.gz JUOPRESGTVCCSW-UHFFFAOYSA-N 0 2 366.443 3.119 20 5 FGBDLN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183549425 496026839 /nfs/dbraw/zinc/02/68/39/496026839.db2.gz FRQCQNKFUDBYKA-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN CCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000155943431 496113376 /nfs/dbraw/zinc/11/33/76/496113376.db2.gz BFKAWOXMKVSQNH-UHFFFAOYSA-N 0 2 352.350 3.301 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccsc2)c(C(F)(F)F)c1 ZINC000161663078 496217086 /nfs/dbraw/zinc/21/70/86/496217086.db2.gz BJCOYTYKBLVWPV-UHFFFAOYSA-N 0 2 352.315 3.476 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1F ZINC000162001782 496278891 /nfs/dbraw/zinc/27/88/91/496278891.db2.gz PTOADXREKSCXOX-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000162317872 496334248 /nfs/dbraw/zinc/33/42/48/496334248.db2.gz DEDBSONRCBOAQC-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN Cc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184769370 496525272 /nfs/dbraw/zinc/52/52/72/496525272.db2.gz LPMQZMDPHFCKFS-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN Cc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000157775370 496552181 /nfs/dbraw/zinc/55/21/81/496552181.db2.gz QGSRNDDNNXYVNI-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000181947804 496608955 /nfs/dbraw/zinc/60/89/55/496608955.db2.gz VBOSYFUQTOWQHJ-CYBMUJFWSA-N 0 2 371.393 3.180 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(C2CC2)c2ccc(F)cc21 ZINC000185267252 496721179 /nfs/dbraw/zinc/72/11/79/496721179.db2.gz ITYRFZHHSAMCBX-UHFFFAOYSA-N 0 2 357.341 3.069 20 5 FGBDLN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000194921214 496761542 /nfs/dbraw/zinc/76/15/42/496761542.db2.gz MPTGNWXDESUXAK-UHFFFAOYSA-N 0 2 372.352 3.175 20 5 FGBDLN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000273419484 496801877 /nfs/dbraw/zinc/80/18/77/496801877.db2.gz VDNONFDICPPGLB-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN Cc1ccc(-n2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cn2)c(C)c1 ZINC000191897884 496924862 /nfs/dbraw/zinc/92/48/62/496924862.db2.gz CELMATSURDOVMD-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1Br ZINC000236584098 497118109 /nfs/dbraw/zinc/11/81/09/497118109.db2.gz BLXIVBOTDOUUFG-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000189557933 497163177 /nfs/dbraw/zinc/16/31/77/497163177.db2.gz MINZGFVGINCRGY-UHFFFAOYSA-N 0 2 369.377 3.001 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274808822 497171342 /nfs/dbraw/zinc/17/13/42/497171342.db2.gz VCMKDQHQMRMKAQ-KSSFIOAISA-N 0 2 374.368 3.432 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000193276613 497339383 /nfs/dbraw/zinc/33/93/83/497339383.db2.gz RJFPDJHQZOVBDD-UHFFFAOYSA-N 0 2 373.843 3.384 20 5 FGBDLN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000271480733 497359803 /nfs/dbraw/zinc/35/98/03/497359803.db2.gz JJTHZXSHEZTADE-CYBMUJFWSA-N 0 2 372.377 3.228 20 5 FGBDLN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000572569534 505999654 /nfs/dbraw/zinc/99/96/54/505999654.db2.gz KQDKCFYPGUQNEI-GFCCVEGCSA-N 0 2 368.311 3.451 20 5 FGBDLN Cc1ccccc1NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000360178784 498254068 /nfs/dbraw/zinc/25/40/68/498254068.db2.gz LHRGWYRQOJGFME-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000581628566 506031054 /nfs/dbraw/zinc/03/10/54/506031054.db2.gz FKLCUPZHBXUMLS-HNNXBMFYSA-N 0 2 362.769 3.168 20 5 FGBDLN COc1ccccc1[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccco1 ZINC000366489165 498950517 /nfs/dbraw/zinc/95/05/17/498950517.db2.gz KIZICPZUQRZHPR-QGZVFWFLSA-N 0 2 368.345 3.421 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000366814601 499083155 /nfs/dbraw/zinc/08/31/55/499083155.db2.gz BOAWHJVGORXYNZ-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000367746385 499230463 /nfs/dbraw/zinc/23/04/63/499230463.db2.gz NAQWQKHDIGPENT-GOSISDBHSA-N 0 2 374.368 3.025 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1C ZINC000391446131 499556991 /nfs/dbraw/zinc/55/69/91/499556991.db2.gz MPNXFBUMVLAWSJ-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000409597003 499608183 /nfs/dbraw/zinc/60/81/83/499608183.db2.gz UNBMEVIEXHQQQE-UHFFFAOYSA-N 0 2 367.452 3.429 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376680582 499628699 /nfs/dbraw/zinc/62/86/99/499628699.db2.gz OMBFIIIOKDPDGK-ICSRJNTNSA-N 0 2 354.454 3.423 20 5 FGBDLN COc1cccc(C2(F)CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000410230528 499650276 /nfs/dbraw/zinc/65/02/76/499650276.db2.gz YPLLMFHDOYELKH-UHFFFAOYSA-N 0 2 374.368 3.410 20 5 FGBDLN CCc1nc(C)c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000414386237 499784812 /nfs/dbraw/zinc/78/48/12/499784812.db2.gz WGZYIUWVBXXQPT-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN Cc1cn2c(nc(C)c2-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)s1 ZINC000426587340 500292050 /nfs/dbraw/zinc/29/20/50/500292050.db2.gz JDZGQYJNIVTWFH-UHFFFAOYSA-N 0 2 357.351 3.343 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1cccs1)C[C@H]1CCCO1 ZINC000426990235 500342232 /nfs/dbraw/zinc/34/22/32/500342232.db2.gz HCZGSVDFUJWXKC-GFCCVEGCSA-N 0 2 362.407 3.183 20 5 FGBDLN CCn1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1-c1ccccc1 ZINC000427687703 500421331 /nfs/dbraw/zinc/42/13/31/500421331.db2.gz JWALRBCZHWESLS-UHFFFAOYSA-N 0 2 352.350 3.436 20 5 FGBDLN CN(Cc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436954940 500578358 /nfs/dbraw/zinc/57/83/58/500578358.db2.gz JBFROCWQCCSRBO-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)c(OC)c1 ZINC000443415372 500721591 /nfs/dbraw/zinc/72/15/91/500721591.db2.gz FYVHJNXPFBYAPQ-UHFFFAOYSA-N 0 2 372.424 3.091 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC000434966900 500916665 /nfs/dbraw/zinc/91/66/65/500916665.db2.gz ZSKLVOPVAPEQKX-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1C ZINC000434966900 500916668 /nfs/dbraw/zinc/91/66/68/500916668.db2.gz ZSKLVOPVAPEQKX-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436494613 501139317 /nfs/dbraw/zinc/13/93/17/501139317.db2.gz UBMRYMFXGGHBRL-WMZOPIPTSA-N 0 2 372.377 3.235 20 5 FGBDLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000436611531 501170293 /nfs/dbraw/zinc/17/02/93/501170293.db2.gz WMJIWZJRHYCNHL-UHFFFAOYSA-N 0 2 364.379 3.002 20 5 FGBDLN COCCOc1c(Cl)cccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436638865 501175274 /nfs/dbraw/zinc/17/52/74/501175274.db2.gz LTSQRBOZKXOYDR-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]2C ZINC000436716060 501195508 /nfs/dbraw/zinc/19/55/08/501195508.db2.gz RQOKHECLBXEVPV-NEPJUHHUSA-N 0 2 356.378 3.457 20 5 FGBDLN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1OC ZINC000436736347 501200642 /nfs/dbraw/zinc/20/06/42/501200642.db2.gz GMMXPGDPQFHEEL-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN COC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000436784604 501210850 /nfs/dbraw/zinc/21/08/50/501210850.db2.gz MFLLTIJCWDBQOK-AWEZNQCLSA-N 0 2 350.758 3.071 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(OC(F)F)c1 ZINC000436871943 501224898 /nfs/dbraw/zinc/22/48/98/501224898.db2.gz VBCNOHNESKLJOT-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CC1(C)Cc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3O)sc2C(=O)C1 ZINC000436887275 501227219 /nfs/dbraw/zinc/22/72/19/501227219.db2.gz WRIXQBTZYWIYCF-UHFFFAOYSA-N 0 2 361.379 3.164 20 5 FGBDLN Cc1cccc(C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)c1[N+](=O)[O-] ZINC000436913831 501232264 /nfs/dbraw/zinc/23/22/64/501232264.db2.gz HGMSUCJJSIWHQV-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN CCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C1CC1 ZINC000451096056 501245328 /nfs/dbraw/zinc/24/53/28/501245328.db2.gz VWUUOXYEQARZGE-UHFFFAOYSA-N 0 2 364.427 3.188 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000474370876 501809649 /nfs/dbraw/zinc/80/96/49/501809649.db2.gz KBEBITJJOACJSO-UHFFFAOYSA-N 0 2 366.255 3.219 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000478067405 501871802 /nfs/dbraw/zinc/87/18/02/501871802.db2.gz YFHZQBIAVZRJDR-CYBMUJFWSA-N 0 2 356.334 3.006 20 5 FGBDLN COc1c(F)cc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000471123861 501928362 /nfs/dbraw/zinc/92/83/62/501928362.db2.gz UIMIOGWVHBUOPK-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc3c[nH]nc3cc2C)c1[N+](=O)[O-] ZINC000479130883 502171575 /nfs/dbraw/zinc/17/15/75/502171575.db2.gz DLGMPXVRWICKAM-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000468814135 502192032 /nfs/dbraw/zinc/19/20/32/502192032.db2.gz DLOYVFGEGDPQTG-UHFFFAOYSA-N 0 2 355.394 3.173 20 5 FGBDLN COc1ccc(C2(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CCC2)cc1OC ZINC000483444989 502394729 /nfs/dbraw/zinc/39/47/29/502394729.db2.gz UTMLPDIACGEGBM-UHFFFAOYSA-N 0 2 372.377 3.378 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(F)c1 ZINC000480210258 502503637 /nfs/dbraw/zinc/50/36/37/502503637.db2.gz RAXPOTAYWXESGZ-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)c1C ZINC000462780426 502568896 /nfs/dbraw/zinc/56/88/96/502568896.db2.gz VMXIGYCTOCMVHU-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(-n3cccn3)ccc2C)c([N+](=O)[O-])c1 ZINC000473426832 502590828 /nfs/dbraw/zinc/59/08/28/502590828.db2.gz KIKVLTBPPZOBBS-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000473765613 502700571 /nfs/dbraw/zinc/70/05/71/502700571.db2.gz MYYPRXDPXKBIKU-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccccc2CC)c([N+](=O)[O-])c1 ZINC000488412701 502706824 /nfs/dbraw/zinc/70/68/24/502706824.db2.gz YJEUROCSASSXAX-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000509608813 502947228 /nfs/dbraw/zinc/94/72/28/502947228.db2.gz DCIVMPRFXSEXQW-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN CC(C)(C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccccc1[N+](=O)[O-] ZINC000513584078 502972278 /nfs/dbraw/zinc/97/22/78/502972278.db2.gz PDIPZWFVSZVGAY-UHFFFAOYSA-N 0 2 367.365 3.002 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000493037212 503402825 /nfs/dbraw/zinc/40/28/25/503402825.db2.gz XREHNVLAHOQJEX-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000494488826 503550150 /nfs/dbraw/zinc/55/01/50/503550150.db2.gz ZWZUEQJOPLRKJR-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cncnc1-c1ccccc1 ZINC000494535683 503559640 /nfs/dbraw/zinc/55/96/40/503559640.db2.gz FXUGZBRUMLOJEC-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000537728747 504019721 /nfs/dbraw/zinc/01/97/21/504019721.db2.gz QINPAKBGSZKPDX-UHFFFAOYSA-N 0 2 359.169 3.141 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1C ZINC000538756359 504360327 /nfs/dbraw/zinc/36/03/27/504360327.db2.gz XKRRKZYXBZSMDO-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cccc3c2ccn3C)cc1[N+](=O)[O-] ZINC000545225632 504405789 /nfs/dbraw/zinc/40/57/89/504405789.db2.gz PWNZQFUDUTXHPZ-UHFFFAOYSA-N 0 2 351.409 3.257 20 5 FGBDLN CC(C)(C)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000539551523 504605220 /nfs/dbraw/zinc/60/52/20/504605220.db2.gz LVSUCZIQWKADLF-UHFFFAOYSA-N 0 2 355.441 3.441 20 5 FGBDLN Cc1ccc2c(CCNC(=O)c3cc(O)ccc3[N+](=O)[O-])cn(C)c2c1 ZINC000557007197 505042228 /nfs/dbraw/zinc/04/22/28/505042228.db2.gz IZEMUCQOXJBBFF-UHFFFAOYSA-N 0 2 353.378 3.073 20 5 FGBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1C(=O)N(C)C(C)C ZINC000560696030 505164075 /nfs/dbraw/zinc/16/40/75/505164075.db2.gz SUWNWRPDBUKEFA-UHFFFAOYSA-N 0 2 371.393 3.342 20 5 FGBDLN COc1cccc(C2(F)CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000563699589 505214787 /nfs/dbraw/zinc/21/47/87/505214787.db2.gz YUYSJIZCMVQDPH-UHFFFAOYSA-N 0 2 374.368 3.410 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(F)cc1OC ZINC000555134854 505360622 /nfs/dbraw/zinc/36/06/22/505360622.db2.gz MCCUJHOECOIEJM-UHFFFAOYSA-N 0 2 372.349 3.245 20 5 FGBDLN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000552050359 505382667 /nfs/dbraw/zinc/38/26/67/505382667.db2.gz ATMQSDALLJXPCI-NSHDSACASA-N 0 2 369.160 3.471 20 5 FGBDLN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552538084 505510157 /nfs/dbraw/zinc/51/01/57/505510157.db2.gz HUUWBWILHUFFLD-UHFFFAOYSA-N 0 2 374.303 3.231 20 5 FGBDLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000593738665 506753872 /nfs/dbraw/zinc/75/38/72/506753872.db2.gz WFGREYKSDCCSQV-SGTLLEGYSA-N 0 2 374.368 3.394 20 5 FGBDLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000593738665 506753881 /nfs/dbraw/zinc/75/38/81/506753881.db2.gz WFGREYKSDCCSQV-SGTLLEGYSA-N 0 2 374.368 3.394 20 5 FGBDLN COc1cc(C)ccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598083 506873932 /nfs/dbraw/zinc/87/39/32/506873932.db2.gz AXGKOOBTYQTIFA-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2cncnc2)cc1 ZINC000609793612 507004739 /nfs/dbraw/zinc/00/47/39/507004739.db2.gz CNJAANRYPAHEDH-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COC[C@H](C)N(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCc2ccccc21 ZINC000600791192 507122820 /nfs/dbraw/zinc/12/28/20/507122820.db2.gz DRBCDFXHXYEMCK-UGSOOPFHSA-N 0 2 370.405 3.465 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)c(C)cc1[N+](=O)[O-] ZINC000591257822 507172556 /nfs/dbraw/zinc/17/25/56/507172556.db2.gz OWTOAJQOTNABOA-UHFFFAOYSA-N 0 2 352.416 3.033 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nnc(CCC(C)C)s2)ccc1[N+](=O)[O-] ZINC000594725713 507256265 /nfs/dbraw/zinc/25/62/65/507256265.db2.gz GZLIAUDBKPJHGB-UHFFFAOYSA-N 0 2 370.456 3.144 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000610483429 507257960 /nfs/dbraw/zinc/25/79/60/507257960.db2.gz BRVMVKUBIYCJSN-UHFFFAOYSA-N 0 2 371.802 3.151 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598711034 507562633 /nfs/dbraw/zinc/56/26/33/507562633.db2.gz DHQVTLOFZFYWFZ-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c(C)c1[N+](=O)[O-] ZINC000598734771 507573331 /nfs/dbraw/zinc/57/33/31/507573331.db2.gz NNBGACZJRLIVCJ-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000092547271 700437374 /nfs/dbraw/zinc/43/73/74/700437374.db2.gz ILORZFKUZOYLJU-UHFFFAOYSA-N 0 2 356.363 3.401 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000617203407 714636165 /nfs/dbraw/zinc/63/61/65/714636165.db2.gz AKADUSAGOSMICD-UHFFFAOYSA-N 0 2 352.416 3.033 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000619466237 714839298 /nfs/dbraw/zinc/83/92/98/714839298.db2.gz AGICTHCIRFCLKR-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000736418612 722523229 /nfs/dbraw/zinc/52/32/29/722523229.db2.gz GJIJQYSHBACBSS-UHFFFAOYSA-N 0 2 350.371 3.332 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3ccn(C)c3c2)cc1[N+](=O)[O-] ZINC000742028161 722551453 /nfs/dbraw/zinc/55/14/53/722551453.db2.gz UUOIKEHVWOAGEY-UHFFFAOYSA-N 0 2 363.370 3.335 20 5 FGBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000753701848 722909979 /nfs/dbraw/zinc/90/99/79/722909979.db2.gz IETFHLUBVCDLEM-SECBINFHSA-N 0 2 363.351 3.328 20 5 FGBDLN CC(C)(C)c1coc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000794043262 723486047 /nfs/dbraw/zinc/48/60/47/723486047.db2.gz SUJSHJPAAMJPIP-UHFFFAOYSA-N 0 2 359.791 3.335 20 5 FGBDLN CCOC(=O)/C(=C\c1cc(F)c(O)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000794950769 723552884 /nfs/dbraw/zinc/55/28/84/723552884.db2.gz WTKGBRULDSPBAF-WZUFQYTHSA-N 0 2 350.277 3.077 20 5 FGBDLN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795931866 723614440 /nfs/dbraw/zinc/61/44/40/723614440.db2.gz JUTKQTJAJRTZMH-YFKPBYRVSA-N 0 2 364.704 3.007 20 5 FGBDLN O=C(Nc1nc(-c2cccs2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000917128438 758182414 /nfs/dbraw/zinc/18/24/14/758182414.db2.gz XQUVRCOEMVEAHI-UHFFFAOYSA-N 0 2 355.335 3.440 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(OC(F)F)c1 ZINC000076382361 493879729 /nfs/dbraw/zinc/87/97/29/493879729.db2.gz KLQHEAFRXZLAIV-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060436715 493933236 /nfs/dbraw/zinc/93/32/36/493933236.db2.gz UMFGNHQPXFTXMM-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN COc1cc(OC)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000007381453 494019556 /nfs/dbraw/zinc/01/95/56/494019556.db2.gz PUZYPSPPMZIKAX-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000007708393 494037741 /nfs/dbraw/zinc/03/77/41/494037741.db2.gz HNSOGVUBLIPDLS-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070904348 494067133 /nfs/dbraw/zinc/06/71/33/494067133.db2.gz SFORUTITOHBQCP-UHFFFAOYSA-N 0 2 355.394 3.173 20 5 FGBDLN O=C(Cc1ccccc1Br)Nc1cc([N+](=O)[O-])ccc1O ZINC000089530877 494322004 /nfs/dbraw/zinc/32/20/04/494322004.db2.gz RFJAYMOLIIRGFL-UHFFFAOYSA-N 0 2 351.156 3.244 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ccccc2Cl)c1 ZINC000092548800 494666445 /nfs/dbraw/zinc/66/64/45/494666445.db2.gz GUJRIXRZPDQWDL-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000108454606 494709976 /nfs/dbraw/zinc/70/99/76/494709976.db2.gz HXGINESIHXUKIV-SFHVURJKSA-N 0 2 374.368 3.025 20 5 FGBDLN CCc1nnc(-c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)o1 ZINC000119104257 495093838 /nfs/dbraw/zinc/09/38/38/495093838.db2.gz SZNJGFOWUNOOIM-UHFFFAOYSA-N 0 2 354.322 3.165 20 5 FGBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000123691658 495171450 /nfs/dbraw/zinc/17/14/50/495171450.db2.gz XWAFLJAXTYFKKF-RKDXNWHRSA-N 0 2 370.324 3.133 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000129532593 495259039 /nfs/dbraw/zinc/25/90/39/495259039.db2.gz UGRYZRVGYZGETK-MRXNPFEDSA-N 0 2 374.368 3.261 20 5 FGBDLN CCn1c2ccccc2nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000124909365 495363180 /nfs/dbraw/zinc/36/31/80/495363180.db2.gz CIDLDVVMYBXRMJ-UHFFFAOYSA-N 0 2 372.406 3.401 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1CCC(C)C ZINC000137794858 495451497 /nfs/dbraw/zinc/45/14/97/495451497.db2.gz PCPNUVZMGFXMQY-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000179442185 495593051 /nfs/dbraw/zinc/59/30/51/495593051.db2.gz KMGVLASYZYUPQQ-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN Cc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)CO1 ZINC000179520204 495626770 /nfs/dbraw/zinc/62/67/70/495626770.db2.gz YSBPLTKFIWPVNV-FZKQIMNGSA-N 0 2 356.378 3.211 20 5 FGBDLN CN(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185617075 495646807 /nfs/dbraw/zinc/64/68/07/495646807.db2.gz JAMZYHSKMFPROM-UHFFFAOYSA-N 0 2 372.406 3.010 20 5 FGBDLN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ncccc12 ZINC000185681078 495676398 /nfs/dbraw/zinc/67/63/98/495676398.db2.gz IODNRWMZXLSPCT-UHFFFAOYSA-N 0 2 353.334 3.500 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000185956451 495797452 /nfs/dbraw/zinc/79/74/52/495797452.db2.gz YUTYJYRJGGHJDX-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160030267 495867320 /nfs/dbraw/zinc/86/73/20/495867320.db2.gz YKGVBFABMXJULZ-UHFFFAOYSA-N 0 2 357.366 3.456 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000183201774 495877500 /nfs/dbraw/zinc/87/75/00/495877500.db2.gz IMRRSSHVCPTYJM-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN Cc1ccc2nc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])sc2c1 ZINC000183378913 495955583 /nfs/dbraw/zinc/95/55/83/495955583.db2.gz MHCBAQVPRIAWAW-UHFFFAOYSA-N 0 2 363.420 3.455 20 5 FGBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000183909083 496156886 /nfs/dbraw/zinc/15/68/86/496156886.db2.gz ZIOIGNYXKGSQGD-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000183912034 496157883 /nfs/dbraw/zinc/15/78/83/496157883.db2.gz BWPJPUPKCXCHIT-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000162683649 496396597 /nfs/dbraw/zinc/39/65/97/496396597.db2.gz WGVWLZQGYDKURN-JTQLQIEISA-N 0 2 352.416 3.331 20 5 FGBDLN CN(Cc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157441654 496478846 /nfs/dbraw/zinc/47/88/46/496478846.db2.gz AUAYOBSJLYJOIX-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c([N+](=O)[O-])c1 ZINC000157753028 496545547 /nfs/dbraw/zinc/54/55/47/496545547.db2.gz DACYLQQBWDULNH-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164284186 496601903 /nfs/dbraw/zinc/60/19/03/496601903.db2.gz JTUJONCVAOMHLI-UHFFFAOYSA-N 0 2 369.377 3.225 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OCCc2ccccc2)CC1 ZINC000181933875 496605061 /nfs/dbraw/zinc/60/50/61/496605061.db2.gz AUILJIBLRYNJCU-UHFFFAOYSA-N 0 2 370.405 3.164 20 5 FGBDLN CCO[C@@H](C)c1nc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cs1 ZINC000166139449 496678173 /nfs/dbraw/zinc/67/81/73/496678173.db2.gz TYRHLTDXMZNJNC-VIFPVBQESA-N 0 2 351.384 3.036 20 5 FGBDLN Cc1cc(F)ccc1-n1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000166107954 496678182 /nfs/dbraw/zinc/67/81/82/496678182.db2.gz OPHYZRZTUCSPCN-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185160507 496685488 /nfs/dbraw/zinc/68/54/88/496685488.db2.gz BZLIFWORDHVMHC-UHFFFAOYSA-N 0 2 365.342 3.025 20 5 FGBDLN COc1ccc(C[C@H](C)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000182167939 496694954 /nfs/dbraw/zinc/69/49/54/496694954.db2.gz GFAGOZMPWJJWNK-ZDUSSCGKSA-N 0 2 358.394 3.260 20 5 FGBDLN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000273457600 496811904 /nfs/dbraw/zinc/81/19/04/496811904.db2.gz VBXIBQXNOXHVHX-UHFFFAOYSA-N 0 2 372.377 3.437 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])ccc1F ZINC000189350809 497091156 /nfs/dbraw/zinc/09/11/56/497091156.db2.gz VZLUZAHJRSFIFP-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569366706 505917698 /nfs/dbraw/zinc/91/76/98/505917698.db2.gz GTELBPZVPYTUAM-UHFFFAOYSA-N 0 2 356.382 3.209 20 5 FGBDLN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194744060 497757610 /nfs/dbraw/zinc/75/76/10/497757610.db2.gz ZBEJYHRGAQSXBJ-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000194745715 497757902 /nfs/dbraw/zinc/75/79/02/497757902.db2.gz BWIIYLNKLVAHEF-LBPRGKRZSA-N 0 2 367.361 3.461 20 5 FGBDLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000194779418 497768383 /nfs/dbraw/zinc/76/83/83/497768383.db2.gz VHVABPZMYPEQKO-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000194836403 497786635 /nfs/dbraw/zinc/78/66/35/497786635.db2.gz ZYFPLCQZKRBFJO-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1cc(F)cc(F)c1 ZINC000569636046 505981209 /nfs/dbraw/zinc/98/12/09/505981209.db2.gz DALHLKRPXAUISJ-UHFFFAOYSA-N 0 2 366.320 3.166 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000283143442 498796779 /nfs/dbraw/zinc/79/67/79/498796779.db2.gz ODDREMVZKKNMSX-ZDUSSCGKSA-N 0 2 358.316 3.495 20 5 FGBDLN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000367502832 499206745 /nfs/dbraw/zinc/20/67/45/499206745.db2.gz MFTUNHKQASNPGU-UHFFFAOYSA-N 0 2 372.312 3.061 20 5 FGBDLN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])CC3 ZINC000367528095 499209188 /nfs/dbraw/zinc/20/91/88/499209188.db2.gz VVEYHBRXINQLGW-LBPRGKRZSA-N 0 2 365.389 3.377 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Sc2ccccn2)CC1 ZINC000367596465 499216082 /nfs/dbraw/zinc/21/60/82/499216082.db2.gz HNRXSRVTZBMFHX-UHFFFAOYSA-N 0 2 359.407 3.092 20 5 FGBDLN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000373653835 499482008 /nfs/dbraw/zinc/48/20/08/499482008.db2.gz KODOSPIVJWORPA-UHFFFAOYSA-N 0 2 356.313 3.092 20 5 FGBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000375800764 499556619 /nfs/dbraw/zinc/55/66/19/499556619.db2.gz DNTBZOVQJMRHGJ-PIGZYNQJSA-N 0 2 360.341 3.042 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1C ZINC000414379976 499783858 /nfs/dbraw/zinc/78/38/58/499783858.db2.gz HZKMIBXASVPBSZ-LBPRGKRZSA-N 0 2 366.443 3.488 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc(OC)c1C ZINC000431144469 500341133 /nfs/dbraw/zinc/34/11/33/500341133.db2.gz BWAKUJPYEJDHOJ-UHFFFAOYSA-N 0 2 372.424 3.091 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1-c1ncco1 ZINC000427321022 500381004 /nfs/dbraw/zinc/38/10/04/500381004.db2.gz OUVPKZGIDBMOFQ-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428599321 500531529 /nfs/dbraw/zinc/53/15/29/500531529.db2.gz NFVCPAMXECTOKI-HNNXBMFYSA-N 0 2 364.785 3.414 20 5 FGBDLN O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436956038 500578373 /nfs/dbraw/zinc/57/83/73/500578373.db2.gz KKQSBEBAWCZRKY-UHFFFAOYSA-N 0 2 351.290 3.441 20 5 FGBDLN COc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436964427 500580775 /nfs/dbraw/zinc/58/07/75/500580775.db2.gz ILUXTVUHAFAGKH-UHFFFAOYSA-N 0 2 374.393 3.025 20 5 FGBDLN COc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000436970961 500582632 /nfs/dbraw/zinc/58/26/32/500582632.db2.gz GWCONBXBXWHVLV-UHFFFAOYSA-N 0 2 356.378 3.329 20 5 FGBDLN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000447715526 500651230 /nfs/dbraw/zinc/65/12/30/500651230.db2.gz REFBHNANWXRGIO-ZDUSSCGKSA-N 0 2 358.247 3.315 20 5 FGBDLN Cc1nc(C)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000433833325 500751824 /nfs/dbraw/zinc/75/18/24/500751824.db2.gz XYOUPJZXWAORAT-UHFFFAOYSA-N 0 2 361.832 3.431 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000434975363 500918376 /nfs/dbraw/zinc/91/83/76/500918376.db2.gz BLTWVFOKCXQCPE-UHFFFAOYSA-N 0 2 372.406 3.348 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000434975363 500918377 /nfs/dbraw/zinc/91/83/77/500918377.db2.gz BLTWVFOKCXQCPE-UHFFFAOYSA-N 0 2 372.406 3.348 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cncc(Br)c3)no2)cc1O ZINC000445192697 500953721 /nfs/dbraw/zinc/95/37/21/500953721.db2.gz RNMOFIOUKUNQDF-UHFFFAOYSA-N 0 2 363.127 3.175 20 5 FGBDLN COc1cc(SC)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446630986 501144654 /nfs/dbraw/zinc/14/46/54/501144654.db2.gz IRFWJLWTINCGJT-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN COc1cc(SC)ccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000446632470 501145413 /nfs/dbraw/zinc/14/54/13/501145413.db2.gz BOLMIUGXGQRXAL-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN C[C@@H]1CCCN(c2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccn2)C1 ZINC000436638467 501175240 /nfs/dbraw/zinc/17/52/40/501175240.db2.gz FACXQEVUBFIQEF-GFCCVEGCSA-N 0 2 356.382 3.184 20 5 FGBDLN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436833568 501218342 /nfs/dbraw/zinc/21/83/42/501218342.db2.gz JZWNRTISFGUNLO-OAHLLOKOSA-N 0 2 364.785 3.414 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436862918 501223683 /nfs/dbraw/zinc/22/36/83/501223683.db2.gz RIYFINOIXKCRMS-HNNXBMFYSA-N 0 2 372.377 3.295 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OCC(F)F)cc1 ZINC000481951256 501927072 /nfs/dbraw/zinc/92/70/72/501927072.db2.gz PXTREVHNRODANV-UHFFFAOYSA-N 0 2 372.349 3.348 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000478672197 502052277 /nfs/dbraw/zinc/05/22/77/502052277.db2.gz BWVDBHWBDYTHRJ-JTQLQIEISA-N 0 2 350.400 3.008 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000471523620 502054995 /nfs/dbraw/zinc/05/49/95/502054995.db2.gz STXXUXLQPJZZGN-UHFFFAOYSA-N 0 2 372.834 3.423 20 5 FGBDLN CCCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000486126389 502055931 /nfs/dbraw/zinc/05/59/31/502055931.db2.gz TVZONPDOTLLCFF-UHFFFAOYSA-N 0 2 371.440 3.122 20 5 FGBDLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000479130328 502171886 /nfs/dbraw/zinc/17/18/86/502171886.db2.gz RQKUIQWGUZKEFR-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN O=C(NCCCCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000479241034 502202343 /nfs/dbraw/zinc/20/23/43/502202343.db2.gz IPNVJQDFICWMCF-UHFFFAOYSA-N 0 2 350.321 3.331 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(CCC(C)C)n[nH]1 ZINC000468932576 502235240 /nfs/dbraw/zinc/23/52/40/502235240.db2.gz JZQDBKUACOEIMD-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)cc(C)c1O ZINC000462099301 502306290 /nfs/dbraw/zinc/30/62/90/502306290.db2.gz CTHOBGQZDZODIS-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN Cc1oc2ccccc2c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000466567735 502610278 /nfs/dbraw/zinc/61/02/78/502610278.db2.gz QGDRLSRGGFXOCC-UHFFFAOYSA-N 0 2 364.354 3.267 20 5 FGBDLN CC(C)(C)[NH+]=c1[n-]nc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCCO1 ZINC000463103338 502695692 /nfs/dbraw/zinc/69/56/92/502695692.db2.gz HUHLXYMCPODOEP-OAHLLOKOSA-N 0 2 359.430 3.055 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509555124 502933472 /nfs/dbraw/zinc/93/34/72/502933472.db2.gz IEQZSAYQCMDUEW-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000509641023 502955377 /nfs/dbraw/zinc/95/53/77/502955377.db2.gz WZGNSPKZFSCAQQ-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1C ZINC000588852190 506358175 /nfs/dbraw/zinc/35/81/75/506358175.db2.gz AGPLTRHQDMISPJ-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN CCCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000507314668 503275538 /nfs/dbraw/zinc/27/55/38/503275538.db2.gz PEEXMPMZWPWUAF-UHFFFAOYSA-N 0 2 360.366 3.028 20 5 FGBDLN Cc1cc(C)c(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])c(O)c3)[nH][nH]2)cc1C ZINC000515987757 503428822 /nfs/dbraw/zinc/42/88/22/503428822.db2.gz QGGAIQGKVGPLRE-UHFFFAOYSA-N 0 2 366.377 3.290 20 5 FGBDLN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000516240372 503478617 /nfs/dbraw/zinc/47/86/17/503478617.db2.gz RWXFTUOXYVMEKC-UHFFFAOYSA-N 0 2 374.303 3.231 20 5 FGBDLN O=C(NCc1ccnc(OC2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509071960 503635041 /nfs/dbraw/zinc/63/50/41/503635041.db2.gz WBFGDRUOLPGQPS-UHFFFAOYSA-N 0 2 371.393 3.337 20 5 FGBDLN Cc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c(OCC2CC2)c1 ZINC000537287492 503868748 /nfs/dbraw/zinc/86/87/48/503868748.db2.gz ZHYFJHOVFGDSHJ-UHFFFAOYSA-N 0 2 356.378 3.328 20 5 FGBDLN Cc1cc(Nc2ncc(Br)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000541331863 504093591 /nfs/dbraw/zinc/09/35/91/504093591.db2.gz NZOYKPVALCDBSN-VIFPVBQESA-N 0 2 366.219 3.394 20 5 FGBDLN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000538387527 504230469 /nfs/dbraw/zinc/23/04/69/504230469.db2.gz PHNQYRHBECMYFJ-JTQLQIEISA-N 0 2 357.391 3.271 20 5 FGBDLN COc1ccnc2c(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cccc12 ZINC000535766010 504537299 /nfs/dbraw/zinc/53/72/99/504537299.db2.gz MPNCOCHRHJWERH-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000539448310 504576450 /nfs/dbraw/zinc/57/64/50/504576450.db2.gz SEVXVWZJMWUZNW-ZDUSSCGKSA-N 0 2 356.334 3.006 20 5 FGBDLN Cc1ccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cs2)n1C ZINC000536193679 504662813 /nfs/dbraw/zinc/66/28/13/504662813.db2.gz SOWSUCIGUHORDE-UHFFFAOYSA-N 0 2 358.379 3.323 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1-c1ccccc1 ZINC000540040160 504763978 /nfs/dbraw/zinc/76/39/78/504763978.db2.gz IMIGSBYXOVRCFB-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000558047460 505295724 /nfs/dbraw/zinc/29/57/24/505295724.db2.gz LTTGNFPTNVNTRH-UHFFFAOYSA-N 0 2 364.427 3.126 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(CF)CCC1 ZINC000567730058 505551454 /nfs/dbraw/zinc/55/14/54/505551454.db2.gz NNFXMVYWZYRPKF-UHFFFAOYSA-N 0 2 357.190 3.072 20 5 FGBDLN COc1c(C)ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1C ZINC000590597979 506873490 /nfs/dbraw/zinc/87/34/90/506873490.db2.gz HVQRSWCOJLMYMY-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN CC[C@@H](C)Oc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000590777271 506948165 /nfs/dbraw/zinc/94/81/65/506948165.db2.gz FIALRNJEWRJYMK-ONRRBMGISA-N 0 2 361.354 3.152 20 5 FGBDLN COc1cccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000600661594 507052064 /nfs/dbraw/zinc/05/20/64/507052064.db2.gz XBIBOWMUSUHKOI-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COc1cccc([C@]2(C)CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)c1 ZINC000598225315 507327821 /nfs/dbraw/zinc/32/78/21/507327821.db2.gz MWIQSXXFHZLADT-LJQANCHMSA-N 0 2 356.378 3.113 20 5 FGBDLN C[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000828302050 604272361 /nfs/dbraw/zinc/27/23/61/604272361.db2.gz CXOGCDZYFJNUNG-MEBBXXQBSA-N 0 2 364.789 3.230 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCCF)c2)c1F ZINC000122041640 700683763 /nfs/dbraw/zinc/68/37/63/700683763.db2.gz WMCPLLHDLJNYCE-UHFFFAOYSA-N 0 2 372.349 3.191 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000177825187 705641687 /nfs/dbraw/zinc/64/16/87/705641687.db2.gz HBTLEUFGEJIAAO-UHFFFAOYSA-N 0 2 372.834 3.309 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc(-c2ccc(O)cc2)n1 ZINC000770856957 723722001 /nfs/dbraw/zinc/72/20/01/723722001.db2.gz OPARHSUKBNDATG-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000798247815 723918354 /nfs/dbraw/zinc/91/83/54/723918354.db2.gz XJCUBPLGGLFNRC-UHFFFAOYSA-N 0 2 372.761 3.123 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c2n[nH]cc21 ZINC000777930013 724272287 /nfs/dbraw/zinc/27/22/87/724272287.db2.gz FWXNLXSBWPCJQV-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN O=c1[nH]nc([C@@H]2CCCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000786558990 724988748 /nfs/dbraw/zinc/98/87/48/724988748.db2.gz CJYWMUYUMPZBSV-SSDOTTSWSA-N 0 2 358.185 3.109 20 5 FGBDLN O=C(Nc1cc(Cl)c(O)cc1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000805256181 725059814 /nfs/dbraw/zinc/05/98/14/725059814.db2.gz ABNVZOAUIDSMOW-UHFFFAOYSA-N 0 2 368.704 3.116 20 5 FGBDLN CC(C)(NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(F)F ZINC000848698649 731198913 /nfs/dbraw/zinc/19/89/13/731198913.db2.gz ZPNNBCDVGLYCSD-UHFFFAOYSA-N 0 2 360.741 3.099 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2nc(C3(C)CC3)ns2)c1F ZINC000862610710 732855861 /nfs/dbraw/zinc/85/58/61/732855861.db2.gz VIYWMYMLHHNZIN-UHFFFAOYSA-N 0 2 354.338 3.337 20 5 FGBDLN C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C(=O)[O-])C1 ZINC000902016698 743699301 /nfs/dbraw/zinc/69/93/01/743699301.db2.gz LWSASHKVGZXKAN-NHYWBVRUSA-N 0 2 361.423 3.403 20 5 FGBDLN C[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C(=O)[O-])C1 ZINC000902016698 743699304 /nfs/dbraw/zinc/69/93/04/743699304.db2.gz LWSASHKVGZXKAN-NHYWBVRUSA-N 0 2 361.423 3.403 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000007054247 493997240 /nfs/dbraw/zinc/99/72/40/493997240.db2.gz XGBXHRZQSLNMRL-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN Cc1noc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c12 ZINC000089531417 494322070 /nfs/dbraw/zinc/32/20/70/494322070.db2.gz GSIQKIJWKMAZGS-UHFFFAOYSA-N 0 2 354.322 3.275 20 5 FGBDLN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055548523 494358822 /nfs/dbraw/zinc/35/88/22/494358822.db2.gz LNXHEFHSXNBUCZ-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000055563963 494361861 /nfs/dbraw/zinc/36/18/61/494361861.db2.gz HYCRNVSYEZQNKC-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000016099635 494377147 /nfs/dbraw/zinc/37/71/47/494377147.db2.gz IVVLJLBEDARPOI-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1ccc(-c2nsc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)n2)s1 ZINC000067174493 494488948 /nfs/dbraw/zinc/48/89/48/494488948.db2.gz SDXVJDXGWHCNHJ-UHFFFAOYSA-N 0 2 362.392 3.441 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1[N+](=O)[O-] ZINC000119062808 495082785 /nfs/dbraw/zinc/08/27/85/495082785.db2.gz UFTAOGRVWHIFDH-UHFFFAOYSA-N 0 2 365.392 3.421 20 5 FGBDLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119125400 495098807 /nfs/dbraw/zinc/09/88/07/495098807.db2.gz VVJRMUHBGUXMGF-UHFFFAOYSA-N 0 2 369.424 3.032 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000129532374 495258933 /nfs/dbraw/zinc/25/89/33/495258933.db2.gz UGRYZRVGYZGETK-INIZCTEOSA-N 0 2 374.368 3.261 20 5 FGBDLN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129931501 495315902 /nfs/dbraw/zinc/31/59/02/495315902.db2.gz XWDZAMAFQGVLRQ-UHFFFAOYSA-N 0 2 369.377 3.225 20 5 FGBDLN Cc1ccnc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000115312619 495488864 /nfs/dbraw/zinc/48/88/64/495488864.db2.gz BVTOXJVNZJINTH-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000142013839 495512741 /nfs/dbraw/zinc/51/27/41/495512741.db2.gz INLSHSYLBFLGLZ-AWEZNQCLSA-N 0 2 372.377 3.295 20 5 FGBDLN CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000158629992 495554837 /nfs/dbraw/zinc/55/48/37/495554837.db2.gz HQNSVWUUXXJRQT-UHFFFAOYSA-N 0 2 363.395 3.053 20 5 FGBDLN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])c2)no1 ZINC000158683864 495567473 /nfs/dbraw/zinc/56/74/73/495567473.db2.gz RJBXALKZCAOJBO-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179462509 495601134 /nfs/dbraw/zinc/60/11/34/495601134.db2.gz PREFSERAJLLOSZ-AWEZNQCLSA-N 0 2 356.378 3.156 20 5 FGBDLN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000185584069 495632516 /nfs/dbraw/zinc/63/25/16/495632516.db2.gz KCDNEXRMWWSGKO-DYVFJYSZSA-N 0 2 356.378 3.198 20 5 FGBDLN CCc1cnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)s1 ZINC000174020197 495790917 /nfs/dbraw/zinc/79/09/17/495790917.db2.gz IXDIRMNUMYASEQ-UHFFFAOYSA-N 0 2 361.832 3.376 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000160172422 495900766 /nfs/dbraw/zinc/90/07/66/495900766.db2.gz FERRWBFIGUJJGK-UHFFFAOYSA-N 0 2 352.416 3.009 20 5 FGBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000180348941 495961321 /nfs/dbraw/zinc/96/13/21/495961321.db2.gz OKKRBRUORIZPQK-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000183462888 495994418 /nfs/dbraw/zinc/99/44/18/495994418.db2.gz OYVFLWMPDMADMF-IBGZPJMESA-N 0 2 363.373 3.347 20 5 FGBDLN Cc1ccc(OC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000186586121 496058570 /nfs/dbraw/zinc/05/85/70/496058570.db2.gz LYNBPINHBJMOLW-UHFFFAOYSA-N 0 2 356.378 3.292 20 5 FGBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000155955124 496117213 /nfs/dbraw/zinc/11/72/13/496117213.db2.gz GSMWRHYGBGHKOA-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000180772257 496140169 /nfs/dbraw/zinc/14/01/69/496140169.db2.gz FRGVVIKSLOHFIH-UHFFFAOYSA-N 0 2 357.366 3.344 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000183906521 496155319 /nfs/dbraw/zinc/15/53/19/496155319.db2.gz YUURWOIBOOKONJ-QGZVFWFLSA-N 0 2 373.434 3.029 20 5 FGBDLN Cc1cc(Br)c(O)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000184481638 496405350 /nfs/dbraw/zinc/40/53/50/496405350.db2.gz IBVWNJGPKLQXCN-UHFFFAOYSA-N 0 2 367.155 3.329 20 5 FGBDLN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)n1 ZINC000164207990 496595499 /nfs/dbraw/zinc/59/54/99/496595499.db2.gz GCJDRJUOLOPEQO-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CCc1nnc(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)o1 ZINC000164831754 496634841 /nfs/dbraw/zinc/63/48/41/496634841.db2.gz JMODIFNHZDPSQE-UHFFFAOYSA-N 0 2 354.322 3.165 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000195568397 496951658 /nfs/dbraw/zinc/95/16/58/496951658.db2.gz IATTYRJAGOWGER-UHFFFAOYSA-N 0 2 367.452 3.429 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1[N+](=O)[O-] ZINC000217935940 497000466 /nfs/dbraw/zinc/00/04/66/497000466.db2.gz NRVZVCZJBOHVSI-UHFFFAOYSA-N 0 2 367.452 3.429 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000278402121 497102206 /nfs/dbraw/zinc/10/22/06/497102206.db2.gz OHJSQQWIIQSANS-UHFFFAOYSA-N 0 2 369.424 3.128 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(c2cccc(F)c2)CC1 ZINC000364385336 497932366 /nfs/dbraw/zinc/93/23/66/497932366.db2.gz ZDHXZADTEQXXAU-UHFFFAOYSA-N 0 2 373.384 3.181 20 5 FGBDLN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000572569535 505999777 /nfs/dbraw/zinc/99/97/77/505999777.db2.gz KQDKCFYPGUQNEI-LBPRGKRZSA-N 0 2 368.311 3.451 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)[C@H]1C[C@H]1C ZINC000294228406 498626927 /nfs/dbraw/zinc/62/69/27/498626927.db2.gz RJDNROHZVIGYKD-DIFFPNOSSA-N 0 2 369.377 3.314 20 5 FGBDLN COC(=O)c1cc(C)nc(Nc2cc(C)n(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000581856735 506074618 /nfs/dbraw/zinc/07/46/18/506074618.db2.gz MIHYTEHUWSZTOB-UHFFFAOYSA-N 0 2 373.413 3.260 20 5 FGBDLN CN(c1ccccc1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000370486498 499224984 /nfs/dbraw/zinc/22/49/84/499224984.db2.gz YBIDAICUQIRDFF-UHFFFAOYSA-N 0 2 355.394 3.041 20 5 FGBDLN O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000369083187 499363844 /nfs/dbraw/zinc/36/38/44/499363844.db2.gz DHCQTNAKKQGPBY-GOSISDBHSA-N 0 2 367.336 3.354 20 5 FGBDLN O=C(NCCc1ccc(Br)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000390484890 499554606 /nfs/dbraw/zinc/55/46/06/499554606.db2.gz GFKRVSGONWBXOH-UHFFFAOYSA-N 0 2 365.183 3.035 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000414366313 499781633 /nfs/dbraw/zinc/78/16/33/499781633.db2.gz BDFBAGXOFCNABX-UHFFFAOYSA-N 0 2 374.378 3.118 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416254007 499996654 /nfs/dbraw/zinc/99/66/54/499996654.db2.gz FHNQVZHLFOJOBP-ZDUSSCGKSA-N 0 2 362.332 3.426 20 5 FGBDLN CC(C)(C)c1cnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])s1 ZINC000417563958 500110566 /nfs/dbraw/zinc/11/05/66/500110566.db2.gz FGZOTHBBGNFAIL-LBPRGKRZSA-N 0 2 363.439 3.134 20 5 FGBDLN O=C(NC1(CCOCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436958052 500579221 /nfs/dbraw/zinc/57/92/21/500579221.db2.gz CWMOVTNAYJKWOB-UHFFFAOYSA-N 0 2 356.378 3.170 20 5 FGBDLN CN(CCOc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436957017 500579304 /nfs/dbraw/zinc/57/93/04/500579304.db2.gz VIKMIJXQUDTGCP-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436958567 500579568 /nfs/dbraw/zinc/57/95/68/500579568.db2.gz IRFVTGGQNBBRRT-ZBFHGGJFSA-N 0 2 362.769 3.214 20 5 FGBDLN COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436960719 500579914 /nfs/dbraw/zinc/57/99/14/500579914.db2.gz LDEDKQAGYKNWGZ-UHFFFAOYSA-N 0 2 358.350 3.463 20 5 FGBDLN COC(=O)C(C)(C)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436963265 500580805 /nfs/dbraw/zinc/58/08/05/500580805.db2.gz DNTZDBHIINAJOF-UHFFFAOYSA-N 0 2 358.350 3.003 20 5 FGBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Br ZINC000436979874 500585085 /nfs/dbraw/zinc/58/50/85/500585085.db2.gz NGNORZBBBQWAQF-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN Cc1nc(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2Cl)n[nH]1 ZINC000436979431 500585368 /nfs/dbraw/zinc/58/53/68/500585368.db2.gz LUUZHHMZTFAWMI-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000437336222 500632466 /nfs/dbraw/zinc/63/24/66/500632466.db2.gz GOGSSVILWWIOHA-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000437430655 500643816 /nfs/dbraw/zinc/64/38/16/500643816.db2.gz QJJZEZMDNAUNMQ-YPMHNXCESA-N 0 2 364.304 3.188 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC(F)F)nc3)no2)cc1O ZINC000445260055 500962557 /nfs/dbraw/zinc/96/25/57/500962557.db2.gz QBHASQPGIKMUEC-UHFFFAOYSA-N 0 2 364.264 3.056 20 5 FGBDLN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(O)cc(Cl)cc1Cl ZINC000436610030 501169415 /nfs/dbraw/zinc/16/94/15/501169415.db2.gz XIXBSPGCARCBQE-UHFFFAOYSA-N 0 2 367.148 3.158 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)C1CC1 ZINC000436742508 501202419 /nfs/dbraw/zinc/20/24/19/501202419.db2.gz XPHUGEAONFRDQL-UHFFFAOYSA-N 0 2 355.350 3.068 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(C(F)(F)F)cs1 ZINC000436836616 501218931 /nfs/dbraw/zinc/21/89/31/501218931.db2.gz MOLJLRRPMODPHN-LURJTMIESA-N 0 2 361.301 3.267 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(OC(F)F)c1 ZINC000436871942 501224846 /nfs/dbraw/zinc/22/48/46/501224846.db2.gz VBCNOHNESKLJOT-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(C)C ZINC000436873713 501225009 /nfs/dbraw/zinc/22/50/09/501225009.db2.gz SNYVNOKTQJTZOF-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000436897994 501229633 /nfs/dbraw/zinc/22/96/33/501229633.db2.gz DRGPRIDJFRVGHV-LLVKDONJSA-N 0 2 370.340 3.116 20 5 FGBDLN Cc1ccc(C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000436914442 501232303 /nfs/dbraw/zinc/23/23/03/501232303.db2.gz LTIWCUBCYZHAMV-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc3c(cn2)CCC3)cc1[N+](=O)[O-] ZINC000451050783 501241942 /nfs/dbraw/zinc/24/19/42/501241942.db2.gz QACDCZFZNWOWPP-UHFFFAOYSA-N 0 2 367.814 3.241 20 5 FGBDLN CCCCc1cnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])nc1 ZINC000451100392 501245641 /nfs/dbraw/zinc/24/56/41/501245641.db2.gz SQYSOFIVQGWATE-UHFFFAOYSA-N 0 2 364.427 3.145 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592828926 506267513 /nfs/dbraw/zinc/26/75/13/506267513.db2.gz WHBADGDVGKCXKW-QGZVFWFLSA-N 0 2 370.405 3.104 20 5 FGBDLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1Br ZINC000486052270 502031071 /nfs/dbraw/zinc/03/10/71/502031071.db2.gz NCATWYDMNLNIPO-HWKANZROSA-N 0 2 352.144 3.037 20 5 FGBDLN CCCCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000486077137 502038695 /nfs/dbraw/zinc/03/86/95/502038695.db2.gz PXZRRXGOHLSZOE-ALCCZGGFSA-N 0 2 361.354 3.154 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2Cl)[nH]1 ZINC000486107318 502049046 /nfs/dbraw/zinc/04/90/46/502049046.db2.gz YCEZOGIKXBYUDB-DAFODLJHSA-N 0 2 372.562 3.382 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000478713761 502066541 /nfs/dbraw/zinc/06/65/41/502066541.db2.gz VQYUJXZEJUXSRG-SNVBAGLBSA-N 0 2 350.400 3.008 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nn1[C@H](C)C1CC1 ZINC000582569510 506300182 /nfs/dbraw/zinc/30/01/82/506300182.db2.gz RPWVBAOBLVJYOV-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cc(NCc2nnc(COc3ccccc3)[nH]2)c(F)cc1[N+](=O)[O-] ZINC000461941878 502246523 /nfs/dbraw/zinc/24/65/23/502246523.db2.gz RBXHKWSNQQWLSO-UHFFFAOYSA-N 0 2 357.345 3.352 20 5 FGBDLN Cc1cc(N2CCC[C@@H](C3N=NC(=O)O3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461950008 502249936 /nfs/dbraw/zinc/24/99/36/502249936.db2.gz WVXAUPXCMXHPSI-SECBINFHSA-N 0 2 372.303 3.395 20 5 FGBDLN Cc1ccccc1C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000469561972 502463163 /nfs/dbraw/zinc/46/31/63/502463163.db2.gz KJSBLKVPDDQHRQ-UHFFFAOYSA-N 0 2 370.405 3.087 20 5 FGBDLN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469640904 502488508 /nfs/dbraw/zinc/48/85/08/502488508.db2.gz AJBACBLKTZMJIE-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000484435559 502642765 /nfs/dbraw/zinc/64/27/65/502642765.db2.gz UALUOORCMKDXLE-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN Cc1nc2c(cccc2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000473702883 502681766 /nfs/dbraw/zinc/68/17/66/502681766.db2.gz UWERNSOLIKVSAF-UHFFFAOYSA-N 0 2 364.321 3.082 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000509219481 502853015 /nfs/dbraw/zinc/85/30/15/502853015.db2.gz LVKYHFHPXHXNTI-UHFFFAOYSA-N 0 2 373.390 3.090 20 5 FGBDLN CN(Cc1ccc(Br)s1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505200757 502868775 /nfs/dbraw/zinc/86/87/75/502868775.db2.gz DPPKHIRQJSSSST-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN CC(C)(C)c1nc(=NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s[nH]1 ZINC000496340373 502884754 /nfs/dbraw/zinc/88/47/54/502884754.db2.gz GEXZYCQGWLQEON-UHFFFAOYSA-N 0 2 372.353 3.019 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000509633249 502953100 /nfs/dbraw/zinc/95/31/00/502953100.db2.gz CXSJNELFPRKTAK-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000513668062 502996312 /nfs/dbraw/zinc/99/63/12/502996312.db2.gz VJABGDAJCZVXIC-JTQLQIEISA-N 0 2 360.370 3.222 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(CC1)OCCc1ccsc12 ZINC000497882620 503060736 /nfs/dbraw/zinc/06/07/36/503060736.db2.gz LHKPTOHYZQIFLA-UHFFFAOYSA-N 0 2 374.418 3.066 20 5 FGBDLN O=C(NCCSCc1ccccc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000506442718 503115989 /nfs/dbraw/zinc/11/59/89/503115989.db2.gz BKHKEMAVVBRHAO-UHFFFAOYSA-N 0 2 350.371 3.103 20 5 FGBDLN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000510646660 503163497 /nfs/dbraw/zinc/16/34/97/503163497.db2.gz HKTPWDAIBXZYCR-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000507566040 503323663 /nfs/dbraw/zinc/32/36/63/503323663.db2.gz KVUMHNRLEBTKGB-UHFFFAOYSA-N 0 2 358.372 3.107 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000507579705 503326095 /nfs/dbraw/zinc/32/60/95/503326095.db2.gz MDJMEESCUXBMIV-UHFFFAOYSA-N 0 2 372.761 3.391 20 5 FGBDLN C[C@@H](Cc1cnc2ccccc2n1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000499072369 503327463 /nfs/dbraw/zinc/32/74/63/503327463.db2.gz NSQDITMYNWTKRS-NSHDSACASA-N 0 2 352.350 3.061 20 5 FGBDLN CC1(C)Cc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])sc2C(=O)C1 ZINC000507651254 503339140 /nfs/dbraw/zinc/33/91/40/503339140.db2.gz DIVKJFICGBOEEA-UHFFFAOYSA-N 0 2 361.379 3.164 20 5 FGBDLN O=C(NCc1cc(Cl)ccc1OC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000499502004 503420643 /nfs/dbraw/zinc/42/06/43/503420643.db2.gz HDQKVNMLXFWVRH-UHFFFAOYSA-N 0 2 372.711 3.485 20 5 FGBDLN COc1ccccc1[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OC(C)C ZINC000517021053 503645699 /nfs/dbraw/zinc/64/56/99/503645699.db2.gz FJKNHQOAKDLZQZ-GOSISDBHSA-N 0 2 374.393 3.205 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000543858625 503919144 /nfs/dbraw/zinc/91/91/44/503919144.db2.gz ZHFGTGGPPYDAAG-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1[C@H](C)C1CC1 ZINC000541301302 504079874 /nfs/dbraw/zinc/07/98/74/504079874.db2.gz DJYZTMUXANQJDB-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN CCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000538330295 504208766 /nfs/dbraw/zinc/20/87/66/504208766.db2.gz CKLMWKLKZQMCTR-HUUCEWRRSA-N 0 2 350.415 3.356 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541737340 504238120 /nfs/dbraw/zinc/23/81/20/504238120.db2.gz MUPDEFNRNODLAH-MAUKXSAKSA-N 0 2 374.368 3.432 20 5 FGBDLN O=C(NCc1cccc(OCC(F)(F)F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000539414712 504564351 /nfs/dbraw/zinc/56/43/51/504564351.db2.gz JUGRVFZSWZVRDG-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000539469608 504583025 /nfs/dbraw/zinc/58/30/25/504583025.db2.gz REFOHELXFDGEGR-CJNGLKHVSA-N 0 2 362.769 3.214 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000542740405 504592502 /nfs/dbraw/zinc/59/25/02/504592502.db2.gz JKKJFJCMAUYQOW-RHSMWYFYSA-N 0 2 360.341 3.090 20 5 FGBDLN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000559289210 504821502 /nfs/dbraw/zinc/82/15/02/504821502.db2.gz UDYQKCIMTPACGG-INIZCTEOSA-N 0 2 356.378 3.459 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000565766782 504982049 /nfs/dbraw/zinc/98/20/49/504982049.db2.gz WHSQRRRHDQBLGM-KRWDZBQOSA-N 0 2 366.295 3.290 20 5 FGBDLN O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000550189340 504989003 /nfs/dbraw/zinc/98/90/03/504989003.db2.gz ZSMMOFLFACCVHX-UHFFFAOYSA-N 0 2 373.365 3.493 20 5 FGBDLN O=C(NCC(F)(F)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000567070862 505354552 /nfs/dbraw/zinc/35/45/52/505354552.db2.gz LFNBOTQIVCOQHM-UHFFFAOYSA-N 0 2 356.712 3.476 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000612620379 506654633 /nfs/dbraw/zinc/65/46/33/506654633.db2.gz HUEXZBQMZVYSPS-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000593850716 506803513 /nfs/dbraw/zinc/80/35/13/506803513.db2.gz OGSBLYVMWHRASW-ZDUSSCGKSA-N 0 2 364.398 3.027 20 5 FGBDLN Cc1ccc(NCCCNC(=O)c2c(O)cc(F)cc2F)c([N+](=O)[O-])c1 ZINC000610091094 507096643 /nfs/dbraw/zinc/09/66/43/507096643.db2.gz HPTBSVBASDHXJA-UHFFFAOYSA-N 0 2 365.336 3.119 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1C ZINC000610481438 507256461 /nfs/dbraw/zinc/25/64/61/507256461.db2.gz GDOSIUVNLXLHDD-UHFFFAOYSA-N 0 2 367.452 3.348 20 5 FGBDLN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598223031 507326408 /nfs/dbraw/zinc/32/64/08/507326408.db2.gz GPYBDLSRGAAZNX-KRWDZBQOSA-N 0 2 374.368 3.432 20 5 FGBDLN COc1cc(F)cc2sc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])nc21 ZINC000584426399 507338484 /nfs/dbraw/zinc/33/84/84/507338484.db2.gz PUWFVHPQCJTSGT-UHFFFAOYSA-N 0 2 363.326 3.310 20 5 FGBDLN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404309 507664509 /nfs/dbraw/zinc/66/45/09/507664509.db2.gz GJTXKVPSVVEKBJ-APWZRJJASA-N 0 2 357.454 3.047 20 5 FGBDLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000736824080 600091481 /nfs/dbraw/zinc/09/14/81/600091481.db2.gz NFBSKOPBROIHJC-CYBMUJFWSA-N 0 2 373.384 3.143 20 5 FGBDLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000736824080 600091484 /nfs/dbraw/zinc/09/14/84/600091484.db2.gz NFBSKOPBROIHJC-CYBMUJFWSA-N 0 2 373.384 3.143 20 5 FGBDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000132683661 700830077 /nfs/dbraw/zinc/83/00/77/700830077.db2.gz LBNSPAWWYOXIHF-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)n1 ZINC000160668670 705258602 /nfs/dbraw/zinc/25/86/02/705258602.db2.gz WLKLHVNRTAZRRS-UHFFFAOYSA-N 0 2 371.802 3.069 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000172895702 705434120 /nfs/dbraw/zinc/43/41/20/705434120.db2.gz VKHQXNKVRVGUOD-UHFFFAOYSA-N 0 2 364.276 3.260 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(Cl)nc2Cl)cccc1[N+](=O)[O-] ZINC000179376541 705699242 /nfs/dbraw/zinc/69/92/42/705699242.db2.gz UGJGBORGCVQUGH-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000619506835 714846794 /nfs/dbraw/zinc/84/67/94/714846794.db2.gz SGCFRHRCSCQTBV-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC000754949288 722948141 /nfs/dbraw/zinc/94/81/41/722948141.db2.gz MEXJWCYVBQRUAD-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN O=C(/C=C/c1ccc(Br)o1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770859392 723721960 /nfs/dbraw/zinc/72/19/60/723721960.db2.gz ZMRRGVYBKBGTBM-ZZXKWVIFSA-N 0 2 353.128 3.308 20 5 FGBDLN Cc1nc2ccc(Cl)cn2c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000785550412 724920967 /nfs/dbraw/zinc/92/09/67/724920967.db2.gz PCLVZCZZUMMZGD-UHFFFAOYSA-N 0 2 366.786 3.005 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cnoc2C2CC2)cc1[N+](=O)[O-] ZINC000840917678 730191141 /nfs/dbraw/zinc/19/11/41/730191141.db2.gz LZIHUEHXYNTZBS-UHFFFAOYSA-N 0 2 357.775 3.223 20 5 FGBDLN COCCN(CCCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068466354 493826334 /nfs/dbraw/zinc/82/63/34/493826334.db2.gz UMEMNMGXTZIRQH-UHFFFAOYSA-N 0 2 358.394 3.022 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000030693417 493905031 /nfs/dbraw/zinc/90/50/31/493905031.db2.gz PDGPGZQMHAGSJR-CYBMUJFWSA-N 0 2 367.361 3.461 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000007709316 494037473 /nfs/dbraw/zinc/03/74/73/494037473.db2.gz BTTSNVBLQDFSJL-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000007708282 494037610 /nfs/dbraw/zinc/03/76/10/494037610.db2.gz MSYPSGMXSSRGHV-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c1C ZINC000063850250 494093174 /nfs/dbraw/zinc/09/31/74/494093174.db2.gz QVJXXOPEBHJAOI-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)cc(Br)c1 ZINC000089531212 494321854 /nfs/dbraw/zinc/32/18/54/494321854.db2.gz BKDUOZUQUHHFFY-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2ccc(C)nc21 ZINC000066587614 494360822 /nfs/dbraw/zinc/36/08/22/494360822.db2.gz BBCNKTNWGRPUPR-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN COc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055584001 494366930 /nfs/dbraw/zinc/36/69/30/494366930.db2.gz WHULUXXRKNCYEB-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(C2CCCCC2)no1 ZINC000075417722 494759530 /nfs/dbraw/zinc/75/95/30/494759530.db2.gz XIUKSYOJZIXHMA-SNVBAGLBSA-N 0 2 360.370 3.222 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092071140 494778813 /nfs/dbraw/zinc/77/88/13/494778813.db2.gz QZUVZDBMEKRGAB-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000126788505 494838758 /nfs/dbraw/zinc/83/87/58/494838758.db2.gz RVYAXNIEVRXGQA-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN CN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000127363879 494933924 /nfs/dbraw/zinc/93/39/24/494933924.db2.gz AQMMPFANJMGWIO-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000119033123 495076278 /nfs/dbraw/zinc/07/62/78/495076278.db2.gz BZLDBVKLSDYVEL-UHFFFAOYSA-N 0 2 369.424 3.114 20 5 FGBDLN O=C(Nc1ccc(NC2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000101682557 495091344 /nfs/dbraw/zinc/09/13/44/495091344.db2.gz GINMTGYSVWZUMP-UHFFFAOYSA-N 0 2 357.366 3.144 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2ccc(Br)cc21 ZINC000112403239 495185249 /nfs/dbraw/zinc/18/52/49/495185249.db2.gz FPNDOLCQMRIHBK-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000130179257 495352675 /nfs/dbraw/zinc/35/26/75/495352675.db2.gz IXJWYNNSPHKRPU-BETUJISGSA-N 0 2 371.393 3.166 20 5 FGBDLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000105388389 495361276 /nfs/dbraw/zinc/36/12/76/495361276.db2.gz XJUZYEZHHXGFHA-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nccc(-c2ccccc2)n1 ZINC000130596111 495416967 /nfs/dbraw/zinc/41/69/67/495416967.db2.gz DZBTWAAXKQBBNJ-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000130757519 495439832 /nfs/dbraw/zinc/43/98/32/495439832.db2.gz OVWDKKQBCQFEFO-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1)CC1CCOCC1 ZINC000179491313 495612409 /nfs/dbraw/zinc/61/24/09/495612409.db2.gz YUVDJMXOTPHLRB-UHFFFAOYSA-N 0 2 370.405 3.369 20 5 FGBDLN Cn1ccnc1Sc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185694195 495684061 /nfs/dbraw/zinc/68/40/61/495684061.db2.gz NQWGPNPVODGIIZ-UHFFFAOYSA-N 0 2 370.390 3.437 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000160181314 495903361 /nfs/dbraw/zinc/90/33/61/495903361.db2.gz UCNAPOFZWJOGNH-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000183380068 495955959 /nfs/dbraw/zinc/95/59/59/495955959.db2.gz JTRHOUAJRMRFRR-UHFFFAOYSA-N 0 2 365.392 3.253 20 5 FGBDLN CC(C)c1nc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n[nH]1 ZINC000183461203 495994111 /nfs/dbraw/zinc/99/41/11/495994111.db2.gz XGDSHZZFDCAGSP-UHFFFAOYSA-N 0 2 367.365 3.461 20 5 FGBDLN Cc1nc2cc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc2o1 ZINC000152204617 496079519 /nfs/dbraw/zinc/07/95/19/496079519.db2.gz HTXUCRUZQPXJAT-UHFFFAOYSA-N 0 2 361.379 3.462 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000180756958 496133854 /nfs/dbraw/zinc/13/38/54/496133854.db2.gz DUJPSLLDRYMTEH-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180766359 496137615 /nfs/dbraw/zinc/13/76/15/496137615.db2.gz DSJMMWJQVHHQLT-UHFFFAOYSA-N 0 2 368.349 3.137 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184803293 496538113 /nfs/dbraw/zinc/53/81/13/496538113.db2.gz PYTNXVWNIAFKMZ-CYBMUJFWSA-N 0 2 372.352 3.175 20 5 FGBDLN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000181926849 496602837 /nfs/dbraw/zinc/60/28/37/496602837.db2.gz CVLPSGBCIOBOCX-KBXCAEBGSA-N 0 2 356.378 3.198 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000182085108 496664709 /nfs/dbraw/zinc/66/47/09/496664709.db2.gz OAESQKODRXYDJP-XHDPSFHLSA-N 0 2 362.407 3.090 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000182084940 496664793 /nfs/dbraw/zinc/66/47/93/496664793.db2.gz INCTYBWXFMKFNP-NSHDSACASA-N 0 2 360.391 3.240 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000158283447 496668356 /nfs/dbraw/zinc/66/83/56/496668356.db2.gz JSWLXAUAOJWODU-CQSZACIVSA-N 0 2 362.769 3.247 20 5 FGBDLN O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166097715 496676992 /nfs/dbraw/zinc/67/69/92/496676992.db2.gz NUAZWKUCPRHSFO-UHFFFAOYSA-N 0 2 357.297 3.276 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000188239453 496721616 /nfs/dbraw/zinc/72/16/16/496721616.db2.gz NORMYUMHNWYQMF-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000194869893 496742515 /nfs/dbraw/zinc/74/25/15/496742515.db2.gz RGPZYUWXXLHLBV-UHFFFAOYSA-N 0 2 374.806 3.021 20 5 FGBDLN CC(C)OCCOCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000273315747 496772371 /nfs/dbraw/zinc/77/23/71/496772371.db2.gz OHEUMPLLGPHTOS-UHFFFAOYSA-N 0 2 374.393 3.494 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000191789276 496889641 /nfs/dbraw/zinc/88/96/41/496889641.db2.gz RAACDLCXVNUVKY-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCOCC2)c2ccccc21 ZINC000189822281 497257272 /nfs/dbraw/zinc/25/72/72/497257272.db2.gz UZQFCZKTNLBGNZ-UHFFFAOYSA-N 0 2 354.362 3.009 20 5 FGBDLN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000276525095 497593511 /nfs/dbraw/zinc/59/35/11/497593511.db2.gz CMSXXPMNRGMTCK-GXTWGEPZSA-N 0 2 358.350 3.060 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000194650424 497729905 /nfs/dbraw/zinc/72/99/05/497729905.db2.gz QAWHAXLEYUFYCU-UHFFFAOYSA-N 0 2 374.777 3.338 20 5 FGBDLN Cn1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C2CCCCC2)n1 ZINC000296787644 498196192 /nfs/dbraw/zinc/19/61/92/498196192.db2.gz SNHNAWDCJPQTJV-UHFFFAOYSA-N 0 2 364.427 3.177 20 5 FGBDLN C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000370287563 499205945 /nfs/dbraw/zinc/20/59/45/499205945.db2.gz HRBAOTKINJVSHA-UHFFFAOYSA-N 0 2 358.417 3.225 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(Sc2ccccn2)CC1 ZINC000375371352 499511321 /nfs/dbraw/zinc/51/13/21/499511321.db2.gz WNSHIKUCUDCHTE-UHFFFAOYSA-N 0 2 359.407 3.092 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)Cc3cccc(Cl)c3)c2c1 ZINC000570360621 506149447 /nfs/dbraw/zinc/14/94/47/506149447.db2.gz UUIAEXQIUYJOHI-UHFFFAOYSA-N 0 2 366.786 3.066 20 5 FGBDLN CC(C)c1nccc(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000376110616 499583730 /nfs/dbraw/zinc/58/37/30/499583730.db2.gz DRGPMMVPIUOZKC-UHFFFAOYSA-N 0 2 370.409 3.234 20 5 FGBDLN CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000442229834 500573304 /nfs/dbraw/zinc/57/33/04/500573304.db2.gz ODWMVGLXSZSZEE-UHFFFAOYSA-N 0 2 366.443 3.201 20 5 FGBDLN O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000436934416 500574076 /nfs/dbraw/zinc/57/40/76/500574076.db2.gz SOFJPHFUWNPHNW-GFCCVEGCSA-N 0 2 371.176 3.071 20 5 FGBDLN CCCOc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000436958985 500579071 /nfs/dbraw/zinc/57/90/71/500579071.db2.gz KUXWKDPGUZIWHZ-UHFFFAOYSA-N 0 2 356.378 3.288 20 5 FGBDLN O=C(Nc1nc2c(ccc(F)c2F)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436987550 500587344 /nfs/dbraw/zinc/58/73/44/500587344.db2.gz MOZVNQRHUZPZFQ-UHFFFAOYSA-N 0 2 351.290 3.441 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cnccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000442814457 500630198 /nfs/dbraw/zinc/63/01/98/500630198.db2.gz BAJIPLJYMKGBEU-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1nn(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1-c1ccccc1 ZINC000444373968 500841323 /nfs/dbraw/zinc/84/13/23/500841323.db2.gz XLCYVBJGUFOYLD-UHFFFAOYSA-N 0 2 352.350 3.111 20 5 FGBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000434974870 500918315 /nfs/dbraw/zinc/91/83/15/500918315.db2.gz WSOPSABYTPGXGZ-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2)c1C ZINC000436640195 501176474 /nfs/dbraw/zinc/17/64/74/501176474.db2.gz HGBIVEKTHXMITO-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CCc1nc(C)c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000481882250 501907652 /nfs/dbraw/zinc/90/76/52/501907652.db2.gz KRWUCOOLVBKAKD-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)OC(C)C ZINC000474712690 501930733 /nfs/dbraw/zinc/93/07/33/501930733.db2.gz VJYCJOQRPIIZOW-GOSISDBHSA-N 0 2 374.393 3.205 20 5 FGBDLN O=C(NCCSc1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469029522 502269659 /nfs/dbraw/zinc/26/96/59/502269659.db2.gz SVJLVQNPDVCGJL-UHFFFAOYSA-N 0 2 352.799 3.476 20 5 FGBDLN COCCc1ccc(OCCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000483440031 502393500 /nfs/dbraw/zinc/39/35/00/502393500.db2.gz GCNXGGHXAGPBMY-UHFFFAOYSA-N 0 2 374.393 3.287 20 5 FGBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000484433977 502642817 /nfs/dbraw/zinc/64/28/17/502642817.db2.gz PIIQGSFJFSRVTP-UHFFFAOYSA-N 0 2 370.406 3.230 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(OC)c1 ZINC000480739829 502657937 /nfs/dbraw/zinc/65/79/37/502657937.db2.gz KFLKAWAZSSKEAX-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000470439574 502773435 /nfs/dbraw/zinc/77/34/35/502773435.db2.gz WTCJKPJNEOFONP-UHFFFAOYSA-N 0 2 354.359 3.324 20 5 FGBDLN Cc1ccnc(-c2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)n1 ZINC000512968540 502823835 /nfs/dbraw/zinc/82/38/35/502823835.db2.gz XXHLUEKDTYAUDI-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000505435487 502903958 /nfs/dbraw/zinc/90/39/58/502903958.db2.gz WCRUPJOPQLAFKX-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CC3 ZINC000497970581 503077620 /nfs/dbraw/zinc/07/76/20/503077620.db2.gz VZNZULGYVAFNHC-CYBMUJFWSA-N 0 2 365.389 3.377 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000493104605 503406714 /nfs/dbraw/zinc/40/67/14/503406714.db2.gz JTOLAWOSMCXALJ-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN COc1ccc(C(=O)CCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000504226096 503541039 /nfs/dbraw/zinc/54/10/39/503541039.db2.gz MPTGBOZBLZEQRF-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN Cc1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C2CC2)n1 ZINC000500562169 503647078 /nfs/dbraw/zinc/64/70/78/503647078.db2.gz BTMJHUGEXPFVIA-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN COc1ccc(C2(C(=O)Nc3cc([N+](=O)[O-])ccc3O)CCC2)cc1OC ZINC000543580517 503818455 /nfs/dbraw/zinc/81/84/55/503818455.db2.gz RBTLXSCBDMSTDU-UHFFFAOYSA-N 0 2 372.377 3.378 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000537651412 503992385 /nfs/dbraw/zinc/99/23/85/503992385.db2.gz SORIHZCPAPLRMX-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000537652608 503993335 /nfs/dbraw/zinc/99/33/35/503993335.db2.gz QXPDGJWCAALNGK-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2ccc(C)nc21 ZINC000531009375 504161207 /nfs/dbraw/zinc/16/12/07/504161207.db2.gz KAOGHDJIRIEZDO-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541737339 504238062 /nfs/dbraw/zinc/23/80/62/504238062.db2.gz MUPDEFNRNODLAH-CRAIPNDOSA-N 0 2 374.368 3.432 20 5 FGBDLN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000548091771 504327060 /nfs/dbraw/zinc/32/70/60/504327060.db2.gz ZGDNSTMPDFIJJQ-JTQLQIEISA-N 0 2 350.758 3.151 20 5 FGBDLN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000520431087 504497911 /nfs/dbraw/zinc/49/79/11/504497911.db2.gz ZHCZMMJFOBWUNR-DLBZAZTESA-N 0 2 366.377 3.261 20 5 FGBDLN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000520431087 504497913 /nfs/dbraw/zinc/49/79/13/504497913.db2.gz ZHCZMMJFOBWUNR-DLBZAZTESA-N 0 2 366.377 3.261 20 5 FGBDLN CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000536103975 504635476 /nfs/dbraw/zinc/63/54/76/504635476.db2.gz XLIRUOKLNHBIGK-LLVKDONJSA-N 0 2 354.366 3.161 20 5 FGBDLN O=C([O-])c1ccnc(NCc2ccc(N3CCCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000521629032 504766357 /nfs/dbraw/zinc/76/63/57/504766357.db2.gz IBNORPONJQIFAL-UHFFFAOYSA-N 0 2 371.397 3.076 20 5 FGBDLN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000553384081 504899678 /nfs/dbraw/zinc/89/96/78/504899678.db2.gz WZPFMEHTTYAOHC-ZSZQSSIHSA-N 0 2 370.405 3.382 20 5 FGBDLN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557066648 505057806 /nfs/dbraw/zinc/05/78/06/505057806.db2.gz HPKMNSUIUKRIJS-QZTJIDSGSA-N 0 2 372.377 3.235 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1C ZINC000550872863 505117000 /nfs/dbraw/zinc/11/70/00/505117000.db2.gz IFGIWBNWHQTYPK-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN COc1ccc(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000560548702 505122852 /nfs/dbraw/zinc/12/28/52/505122852.db2.gz KUXRTALMIKVXDQ-UHFFFAOYSA-N 0 2 356.378 3.329 20 5 FGBDLN CNC(=O)[C@@H]1CCCc2sc(/C=C\c3ccc(O)c([N+](=O)[O-])c3)nc21 ZINC000555464532 505437145 /nfs/dbraw/zinc/43/71/45/505437145.db2.gz ZBWKSVLCSCPXSJ-BPOWMSRESA-N 0 2 359.407 3.093 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1[C@@H]1CCCOC1 ZINC000599713243 506597702 /nfs/dbraw/zinc/59/77/02/506597702.db2.gz HFLNDFGBNCDQJK-CQSZACIVSA-N 0 2 359.382 3.323 20 5 FGBDLN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000608875655 506733684 /nfs/dbraw/zinc/73/36/84/506733684.db2.gz QFLPTSBXDNRKBD-LBPRGKRZSA-N 0 2 350.396 3.411 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593890990 506822516 /nfs/dbraw/zinc/82/25/16/506822516.db2.gz LCFJLYHOBWRHQK-WDSOQIARSA-N 0 2 368.389 3.435 20 5 FGBDLN CCCn1c2ccccc2nc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000609321560 506851288 /nfs/dbraw/zinc/85/12/88/506851288.db2.gz GPPWLFCNAPDRGG-UHFFFAOYSA-N 0 2 374.422 3.464 20 5 FGBDLN O=C(N=c1cc(-c2cccc(Cl)c2)[nH][nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000604522049 506860617 /nfs/dbraw/zinc/86/06/17/506860617.db2.gz MNGSGQWJGSCQSO-UHFFFAOYSA-N 0 2 358.741 3.018 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000583837059 506999839 /nfs/dbraw/zinc/99/98/39/506999839.db2.gz VGZMCKQLNQSOTE-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN COc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1F ZINC000600775611 507114596 /nfs/dbraw/zinc/11/45/96/507114596.db2.gz KICUTUUVCLVJAO-LBPRGKRZSA-N 0 2 360.341 3.078 20 5 FGBDLN O=C(COCc1nc2ccccc2s1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000614274131 507436491 /nfs/dbraw/zinc/43/64/91/507436491.db2.gz ZDEGWXNPJIFGHD-UHFFFAOYSA-N 0 2 359.363 3.065 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(C)c1O ZINC000078002444 700272019 /nfs/dbraw/zinc/27/20/19/700272019.db2.gz UYYMVPWOFCNSGY-UHFFFAOYSA-N 0 2 354.359 3.166 20 5 FGBDLN COc1ccc2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2c1 ZINC000119962736 700644229 /nfs/dbraw/zinc/64/42/29/700644229.db2.gz BBIGWUHWTOYHTI-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN CCC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000135391511 704843898 /nfs/dbraw/zinc/84/38/98/704843898.db2.gz JEPQSFASRJJUAI-UHFFFAOYSA-N 0 2 366.370 3.436 20 5 FGBDLN COc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000789909299 723084189 /nfs/dbraw/zinc/08/41/89/723084189.db2.gz JCSATWPMJIQTJS-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2scnc2C2CC2)ccc1Cl ZINC000762476846 723246884 /nfs/dbraw/zinc/24/68/84/723246884.db2.gz UXXVYOKVGGTOSY-UHFFFAOYSA-N 0 2 359.816 3.383 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1F ZINC000795365705 723585509 /nfs/dbraw/zinc/58/55/09/723585509.db2.gz BBLNQFFFUADCQO-UHFFFAOYSA-N 0 2 370.333 3.185 20 5 FGBDLN CN(C)C(=O)Sc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000796095630 723620595 /nfs/dbraw/zinc/62/05/95/723620595.db2.gz YAZYTVDKGJLISI-UHFFFAOYSA-N 0 2 361.379 3.326 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(CCCc2ccccc2Br)no1 ZINC000842495683 730508637 /nfs/dbraw/zinc/50/86/37/730508637.db2.gz SHEKDQLVDKNLNB-ZYHUDNBSSA-N 0 2 352.188 3.140 20 5 FGBDLN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852759558 731631175 /nfs/dbraw/zinc/63/11/75/731631175.db2.gz RCZSGHJSIKSYLY-SUNKGSAMSA-N 0 2 359.348 3.045 20 5 FGBDLN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852759558 731631177 /nfs/dbraw/zinc/63/11/77/731631177.db2.gz RCZSGHJSIKSYLY-SUNKGSAMSA-N 0 2 359.348 3.045 20 5 FGBDLN CC(C)OCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000068466499 493826449 /nfs/dbraw/zinc/82/64/49/493826449.db2.gz YSSLUBYWEQUGIA-UHFFFAOYSA-N 0 2 374.393 3.494 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000571236563 505686229 /nfs/dbraw/zinc/68/62/29/505686229.db2.gz FNNXQWZFZXYPIC-CQSZACIVSA-N 0 2 362.769 3.247 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(Cl)c1N(C)C ZINC000071976066 494113395 /nfs/dbraw/zinc/11/33/95/494113395.db2.gz DVQOBPFBQKUJJF-UHFFFAOYSA-N 0 2 369.830 3.423 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000055548360 494358794 /nfs/dbraw/zinc/35/87/94/494358794.db2.gz JCQWMMQWXMDCJO-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000055585340 494366668 /nfs/dbraw/zinc/36/66/68/494366668.db2.gz UNDVKMSCXKDHCW-UHFFFAOYSA-N 0 2 361.379 3.194 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1O ZINC000055616196 494373265 /nfs/dbraw/zinc/37/32/65/494373265.db2.gz QYFCPJBGNXBVDA-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1ccccc1COC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000091953018 494732581 /nfs/dbraw/zinc/73/25/81/494732581.db2.gz CAADZDLODVIWEM-UHFFFAOYSA-N 0 2 370.405 3.430 20 5 FGBDLN CC(C)Oc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000121811396 494866090 /nfs/dbraw/zinc/86/60/90/494866090.db2.gz ZIRCMCQSMBGTLO-UHFFFAOYSA-N 0 2 371.802 3.231 20 5 FGBDLN CC(C)(C)c1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000103201190 495203786 /nfs/dbraw/zinc/20/37/86/495203786.db2.gz FKLLUUAQDFALPM-UHFFFAOYSA-N 0 2 372.410 3.386 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000130970544 495473372 /nfs/dbraw/zinc/47/33/72/495473372.db2.gz FUWBCJXQKZZXNV-UHFFFAOYSA-N 0 2 372.349 3.348 20 5 FGBDLN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185532752 495612702 /nfs/dbraw/zinc/61/27/02/495612702.db2.gz JRSMGATWJOESLF-MRXNPFEDSA-N 0 2 368.349 3.281 20 5 FGBDLN Cc1ccc(-c2nc(CCNC(=O)c3ccc([N+](=O)[O-])c(O)c3)co2)cc1 ZINC000171119321 495732838 /nfs/dbraw/zinc/73/28/38/495732838.db2.gz CKNGKKQAHBXGCT-UHFFFAOYSA-N 0 2 367.361 3.236 20 5 FGBDLN Cc1cc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)n[nH]1 ZINC000159506954 495748699 /nfs/dbraw/zinc/74/86/99/495748699.db2.gz QGZXTCLSVWCXGH-UHFFFAOYSA-N 0 2 354.322 3.377 20 5 FGBDLN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1ccc([N+](=O)[O-])cc1O ZINC000185867391 495756628 /nfs/dbraw/zinc/75/66/28/495756628.db2.gz RZZAAMPPVCMKJF-GOSISDBHSA-N 0 2 367.336 3.354 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1 ZINC000174250560 495882121 /nfs/dbraw/zinc/88/21/21/495882121.db2.gz HKIMEPVTQXTCAH-UHFFFAOYSA-N 0 2 362.285 3.120 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000160156266 495897911 /nfs/dbraw/zinc/89/79/11/495897911.db2.gz JZXVOZWFXVQPFR-UHFFFAOYSA-N 0 2 352.416 3.009 20 5 FGBDLN O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160414841 495958569 /nfs/dbraw/zinc/95/85/69/495958569.db2.gz NLWXQAXQYJQNOG-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2c(F)cccc2F)n1 ZINC000180777271 496142558 /nfs/dbraw/zinc/14/25/58/496142558.db2.gz UGSVBPYQWLNRIQ-UHFFFAOYSA-N 0 2 360.276 3.017 20 5 FGBDLN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183898302 496153174 /nfs/dbraw/zinc/15/31/74/496153174.db2.gz YKKORYSCKCIXGE-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c12 ZINC000183902522 496153857 /nfs/dbraw/zinc/15/38/57/496153857.db2.gz XOVVVQCDTLYDGC-UHFFFAOYSA-N 0 2 354.322 3.275 20 5 FGBDLN O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183909538 496156233 /nfs/dbraw/zinc/15/62/33/496156233.db2.gz MJTRUOWSALRGPD-UHFFFAOYSA-N 0 2 374.378 3.373 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2O)c(C(F)(F)F)c1 ZINC000161576191 496200328 /nfs/dbraw/zinc/20/03/28/496200328.db2.gz UOAKCLXKLBTHTG-UHFFFAOYSA-N 0 2 362.285 3.120 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC000172192640 496202084 /nfs/dbraw/zinc/20/20/84/496202084.db2.gz LMSQSCYYPYRRFH-UHFFFAOYSA-N 0 2 353.425 3.039 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c1C ZINC000163133905 496470961 /nfs/dbraw/zinc/47/09/61/496470961.db2.gz CFMRJZHMVZEUCU-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000184650171 496479519 /nfs/dbraw/zinc/47/95/19/496479519.db2.gz IDHNZAHFRCZUPU-GFCCVEGCSA-N 0 2 367.361 3.461 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)cc1 ZINC000172907356 496486388 /nfs/dbraw/zinc/48/63/88/496486388.db2.gz OYRWYOHLKKWXEN-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c1C ZINC000163346207 496502959 /nfs/dbraw/zinc/50/29/59/496502959.db2.gz VTJLJQWYXJVOLO-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184814923 496543500 /nfs/dbraw/zinc/54/35/00/496543500.db2.gz DMNVODFCGMNMJO-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184909989 496582073 /nfs/dbraw/zinc/58/20/73/496582073.db2.gz BQUHFDRRXAUJMX-UHFFFAOYSA-N 0 2 374.378 3.118 20 5 FGBDLN CN(CCCOc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181908486 496594514 /nfs/dbraw/zinc/59/45/14/496594514.db2.gz FZNSOSUIEDGTCK-UHFFFAOYSA-N 0 2 364.785 3.495 20 5 FGBDLN CSc1nc(C)c(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1 ZINC000273418909 496802057 /nfs/dbraw/zinc/80/20/57/496802057.db2.gz XGUWKERYFYJNBX-UHFFFAOYSA-N 0 2 362.411 3.000 20 5 FGBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000191808947 496897658 /nfs/dbraw/zinc/89/76/58/496897658.db2.gz KAXQOFXMXLOJLK-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2cccnc12 ZINC000193128734 497309937 /nfs/dbraw/zinc/30/99/37/497309937.db2.gz UZEIZCSVFBTDJQ-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1Cl ZINC000193488449 497394156 /nfs/dbraw/zinc/39/41/56/497394156.db2.gz NOSCBCBVVXQDCM-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000190590191 497536427 /nfs/dbraw/zinc/53/64/27/497536427.db2.gz KAHHLOSXIOVSJU-UHFFFAOYSA-N 0 2 374.303 3.325 20 5 FGBDLN CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CCO2)cc1 ZINC000190887201 497633799 /nfs/dbraw/zinc/63/37/99/497633799.db2.gz HXKMGMQOOYXRSY-GOSISDBHSA-N 0 2 356.378 3.077 20 5 FGBDLN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194410213 497657502 /nfs/dbraw/zinc/65/75/02/497657502.db2.gz HDEIYXBHQZWOSS-CRAIPNDOSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1ccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000364386731 497933568 /nfs/dbraw/zinc/93/35/68/497933568.db2.gz PXIAOETZLKSVOM-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1C1CCCCC1 ZINC000569866052 506034456 /nfs/dbraw/zinc/03/44/56/506034456.db2.gz AZOYXNYYOYMENH-UHFFFAOYSA-N 0 2 364.427 3.406 20 5 FGBDLN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000369888704 499145629 /nfs/dbraw/zinc/14/56/29/499145629.db2.gz PEAFFMBFVOZWKU-LLVKDONJSA-N 0 2 361.423 3.257 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000370305988 499207601 /nfs/dbraw/zinc/20/76/01/499207601.db2.gz QZNOURAPCWULQU-OAHLLOKOSA-N 0 2 362.769 3.168 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OCc2ccccc2F)CC1 ZINC000367736780 499229481 /nfs/dbraw/zinc/22/94/81/499229481.db2.gz ISODJOBDVFZNCD-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000376052181 499578966 /nfs/dbraw/zinc/57/89/66/499578966.db2.gz AZCFUZLOPURTMG-NSHDSACASA-N 0 2 361.423 3.257 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416254982 499996629 /nfs/dbraw/zinc/99/66/29/499996629.db2.gz HEWSOWWCJXPVGW-AWEZNQCLSA-N 0 2 362.332 3.426 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(OC)c2)c([N+](=O)[O-])c1 ZINC000432639338 500542501 /nfs/dbraw/zinc/54/25/01/500542501.db2.gz WGDVBIWARHOGRC-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CC(C)Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C(F)F ZINC000442228988 500573054 /nfs/dbraw/zinc/57/30/54/500573054.db2.gz KXIFTYBWBCJTKG-UHFFFAOYSA-N 0 2 374.369 3.186 20 5 FGBDLN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000436954538 500578316 /nfs/dbraw/zinc/57/83/16/500578316.db2.gz WUERHTYOFMTYAR-GFCCVEGCSA-N 0 2 371.393 3.389 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000448133711 500721683 /nfs/dbraw/zinc/72/16/83/500721683.db2.gz YTBUOJJVIVMZFV-UHFFFAOYSA-N 0 2 372.834 3.354 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000438819428 500822722 /nfs/dbraw/zinc/82/27/22/500822722.db2.gz OWXJJLPWTPCWQV-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000434965546 500917031 /nfs/dbraw/zinc/91/70/31/500917031.db2.gz FZOKUWJZXLDADE-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1ccnc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)n1 ZINC000441537831 501152551 /nfs/dbraw/zinc/15/25/51/501152551.db2.gz DHGLGNOMINPBHS-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000446784091 501165265 /nfs/dbraw/zinc/16/52/65/501165265.db2.gz KVBFGDZLXWEASQ-UHFFFAOYSA-N 0 2 366.399 3.135 20 5 FGBDLN Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436640017 501176233 /nfs/dbraw/zinc/17/62/33/501176233.db2.gz NRMZIXRTHCBDIL-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000436672857 501185361 /nfs/dbraw/zinc/18/53/61/501185361.db2.gz OSDNDGOCJXKMBI-OAHLLOKOSA-N 0 2 370.361 3.049 20 5 FGBDLN CCc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000436836500 501219095 /nfs/dbraw/zinc/21/90/95/501219095.db2.gz CXQAOEUPMWKKMH-UHFFFAOYSA-N 0 2 352.350 3.301 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000436868203 501224617 /nfs/dbraw/zinc/22/46/17/501224617.db2.gz HJMMDOANELYUQG-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436892745 501228477 /nfs/dbraw/zinc/22/84/77/501228477.db2.gz MRLSXNBRIMHLAK-OAHLLOKOSA-N 0 2 358.398 3.398 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)c1C ZINC000474423350 501831369 /nfs/dbraw/zinc/83/13/69/501831369.db2.gz ZHBJBSJNMNKZDA-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000461110370 502016232 /nfs/dbraw/zinc/01/62/32/502016232.db2.gz RACSTURUACHIRA-UHFFFAOYSA-N 0 2 361.423 3.260 20 5 FGBDLN COc1cc(Cl)c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Cl ZINC000486080414 502040405 /nfs/dbraw/zinc/04/04/05/502040405.db2.gz VUGRVRXJWWUQGL-IHWYPQMZSA-N 0 2 358.137 3.282 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000478694579 502059441 /nfs/dbraw/zinc/05/94/41/502059441.db2.gz IXZANMNNASMMMR-SECBINFHSA-N 0 2 370.818 3.353 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000478710477 502065130 /nfs/dbraw/zinc/06/51/30/502065130.db2.gz MQQLZFSJVHRVSS-JTQLQIEISA-N 0 2 364.427 3.316 20 5 FGBDLN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(C)C ZINC000475459047 502178264 /nfs/dbraw/zinc/17/82/64/502178264.db2.gz AXYGQBPVJNDIPR-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN CC(C)(C)c1noc2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000483443237 502394528 /nfs/dbraw/zinc/39/45/28/502394528.db2.gz RQVZCMYRWXZHPC-UHFFFAOYSA-N 0 2 356.338 3.386 20 5 FGBDLN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000469704527 502508260 /nfs/dbraw/zinc/50/82/60/502508260.db2.gz GBHSRNHTALCKES-CQSZACIVSA-N 0 2 373.384 3.147 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000480239334 502510260 /nfs/dbraw/zinc/51/02/60/502510260.db2.gz FAPAQNHFTTUIET-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000481028708 502732756 /nfs/dbraw/zinc/73/27/56/502732756.db2.gz YCNRDTGUHKQYJV-UHFFFAOYSA-N 0 2 367.452 3.348 20 5 FGBDLN COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)s2)cc1 ZINC000477391719 502761840 /nfs/dbraw/zinc/76/18/40/502761840.db2.gz OOCLESFPEHKPDN-UHFFFAOYSA-N 0 2 372.362 3.080 20 5 FGBDLN COc1ccc(C[C@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000513478000 502948588 /nfs/dbraw/zinc/94/85/88/502948588.db2.gz AMPKTOAXYIOYGS-OAHLLOKOSA-N 0 2 370.405 3.404 20 5 FGBDLN CCCOc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507025348 503214923 /nfs/dbraw/zinc/21/49/23/503214923.db2.gz HDBFRDMNNAQBQF-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000507580994 503327090 /nfs/dbraw/zinc/32/70/90/503327090.db2.gz RDRSQIBAJHACDV-UHFFFAOYSA-N 0 2 372.761 3.391 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)c([N+](=O)[O-])c1 ZINC000499507724 503420960 /nfs/dbraw/zinc/42/09/60/503420960.db2.gz SWOMPWPXFWGROZ-UHFFFAOYSA-N 0 2 366.370 3.421 20 5 FGBDLN O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000512075234 503451449 /nfs/dbraw/zinc/45/14/49/503451449.db2.gz RXGMMARXBNBHPJ-UHFFFAOYSA-N 0 2 351.290 3.441 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncnc1-c1ccccc1 ZINC000494517879 503556003 /nfs/dbraw/zinc/55/60/03/503556003.db2.gz DQEVJLIBWBHVLO-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=C(Nc1ccccc1OCC(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000540173715 503697167 /nfs/dbraw/zinc/69/71/67/503697167.db2.gz SOTNWSOYKLVWCO-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(SC)c1C ZINC000536993901 503773449 /nfs/dbraw/zinc/77/34/49/503773449.db2.gz OXHORIQMQQPGLN-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c1 ZINC000543642761 503838528 /nfs/dbraw/zinc/83/85/28/503838528.db2.gz WXTFWDIYLKNGJR-UHFFFAOYSA-N 0 2 370.456 3.161 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(Cl)c2O)c1 ZINC000543661505 503845645 /nfs/dbraw/zinc/84/56/45/503845645.db2.gz DVCKUWFIPXEDQL-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000537752287 504027769 /nfs/dbraw/zinc/02/77/69/504027769.db2.gz LDWDTCWKHYSTIH-UHFFFAOYSA-N 0 2 366.733 3.018 20 5 FGBDLN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000548419885 504438714 /nfs/dbraw/zinc/43/87/14/504438714.db2.gz HHRLFHURRVOKLT-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c2ncccc12 ZINC000545315366 504440749 /nfs/dbraw/zinc/44/07/49/504440749.db2.gz NRZXQTXLCSSBDC-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000539414965 504564255 /nfs/dbraw/zinc/56/42/55/504564255.db2.gz GXNWAXZNNHMXLV-UHFFFAOYSA-N 0 2 370.283 3.128 20 5 FGBDLN CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccn1 ZINC000521178444 504670399 /nfs/dbraw/zinc/67/03/99/504670399.db2.gz FPMAREALKVGOLF-CYBMUJFWSA-N 0 2 373.409 3.439 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000539854208 504718541 /nfs/dbraw/zinc/71/85/41/504718541.db2.gz WKRCXBZRQIANAZ-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1-c1ccccc1 ZINC000540039117 504763903 /nfs/dbraw/zinc/76/39/03/504763903.db2.gz AVXOXSIZZSHDEB-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CN(C)c1ncc(Br)c(/C=C/c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000549614546 504860296 /nfs/dbraw/zinc/86/02/96/504860296.db2.gz GXIXYAFJWKSVBC-HWKANZROSA-N 0 2 365.187 3.089 20 5 FGBDLN Cc1nc(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2Cl)n[nH]1 ZINC000560621747 505147216 /nfs/dbraw/zinc/14/72/16/505147216.db2.gz IELWLCMNQGFJCF-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c(O)cc(F)cc1F ZINC000589530082 506578808 /nfs/dbraw/zinc/57/88/08/506578808.db2.gz BCQBWCKXHBYADM-UHFFFAOYSA-N 0 2 361.304 3.032 20 5 FGBDLN Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000589557657 506585701 /nfs/dbraw/zinc/58/57/01/506585701.db2.gz GFDKGIBURZAFHT-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CC(C)(C)OC(=O)[C@]1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC=CCC1 ZINC000593595943 506696488 /nfs/dbraw/zinc/69/64/88/506696488.db2.gz LQPZNTQWUNAUGQ-GOSISDBHSA-N 0 2 362.382 3.307 20 5 FGBDLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000593738490 506754252 /nfs/dbraw/zinc/75/42/52/506754252.db2.gz TUZVYPGXPMCAEW-UGSOOPFHSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](c2ccccc2)CO1 ZINC000593738490 506754258 /nfs/dbraw/zinc/75/42/58/506754258.db2.gz TUZVYPGXPMCAEW-UGSOOPFHSA-N 0 2 356.378 3.255 20 5 FGBDLN COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000593742739 506757810 /nfs/dbraw/zinc/75/78/10/506757810.db2.gz QAXAQURTPBLMPJ-UHFFFAOYSA-N 0 2 368.389 3.349 20 5 FGBDLN COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000593742739 506757814 /nfs/dbraw/zinc/75/78/14/506757814.db2.gz QAXAQURTPBLMPJ-UHFFFAOYSA-N 0 2 368.389 3.349 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)c([N+](=O)[O-])c1 ZINC000609473303 506891487 /nfs/dbraw/zinc/89/14/87/506891487.db2.gz UYPYZMOFARGKHH-UHFFFAOYSA-N 0 2 369.830 3.423 20 5 FGBDLN CC(C)CCO[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000600377783 506932667 /nfs/dbraw/zinc/93/26/67/506932667.db2.gz BEYRENWVKRDWRJ-SHTZXODSSA-N 0 2 350.415 3.404 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000609910262 507046551 /nfs/dbraw/zinc/04/65/51/507046551.db2.gz NQERPMKJYJPMOM-UHFFFAOYSA-N 0 2 356.787 3.317 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnccc1SC ZINC000610657406 507334361 /nfs/dbraw/zinc/33/43/61/507334361.db2.gz NSSITWYIDBPWCV-UHFFFAOYSA-N 0 2 353.425 3.075 20 5 FGBDLN COCCN(Cc1ccc(C)cc1C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586025850 507650311 /nfs/dbraw/zinc/65/03/11/507650311.db2.gz SGTFDJQBZYUTEL-UHFFFAOYSA-N 0 2 358.394 3.206 20 5 FGBDLN CCOC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Cl ZINC000586751673 507656411 /nfs/dbraw/zinc/65/64/11/507656411.db2.gz RDSRYKGHPHSSAV-UHFFFAOYSA-N 0 2 364.741 3.383 20 5 FGBDLN CC(C)(C)OC(=O)c1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000586804706 507678014 /nfs/dbraw/zinc/67/80/14/507678014.db2.gz ZZJBXQDXSRZZFZ-UHFFFAOYSA-N 0 2 372.377 3.186 20 5 FGBDLN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1Cl ZINC000611535343 507726425 /nfs/dbraw/zinc/72/64/25/507726425.db2.gz OTIAJLXXYLDVKN-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN O=c1[nH]nc(C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000588037885 507743412 /nfs/dbraw/zinc/74/34/12/507743412.db2.gz XMXRHLAWELLXKE-UHFFFAOYSA-N 0 2 358.185 3.109 20 5 FGBDLN Cc1cc(N2C[C@H](C(=O)[O-])CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595972326 507753442 /nfs/dbraw/zinc/75/34/42/507753442.db2.gz AGKYIEPUIZFBET-TZMCWYRMSA-N 0 2 356.382 3.050 20 5 FGBDLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000829026953 604653373 /nfs/dbraw/zinc/65/33/73/604653373.db2.gz LDABVHDRFUJZLQ-MRXNPFEDSA-N 0 2 371.393 3.071 20 5 FGBDLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000829026953 604653375 /nfs/dbraw/zinc/65/33/75/604653375.db2.gz LDABVHDRFUJZLQ-MRXNPFEDSA-N 0 2 371.393 3.071 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cs1 ZINC000120278780 700652116 /nfs/dbraw/zinc/65/21/16/700652116.db2.gz RFABAZFIFLHSQL-UHFFFAOYSA-N 0 2 365.392 3.476 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000192736217 712872397 /nfs/dbraw/zinc/87/23/97/712872397.db2.gz RTERYWAPEVNSEC-UHFFFAOYSA-N 0 2 353.425 3.039 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(CSC)c1 ZINC000619467738 714840218 /nfs/dbraw/zinc/84/02/18/714840218.db2.gz ZUGUBHCCDZMWTN-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000619507033 714846737 /nfs/dbraw/zinc/84/67/37/714846737.db2.gz UKENVQDBJSWISB-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN CC(C)(C(=O)NOCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000762679530 723270694 /nfs/dbraw/zinc/27/06/94/723270694.db2.gz WKNRTKZSLGTKLX-UHFFFAOYSA-N 0 2 350.321 3.399 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1O ZINC000795329199 723582223 /nfs/dbraw/zinc/58/22/23/723582223.db2.gz LKYIQNHXYZSASA-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN Cc1csc(C[C@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000899545773 742966861 /nfs/dbraw/zinc/96/68/61/742966861.db2.gz XJUPRAHJICYWIC-GFCCVEGCSA-N 0 2 361.423 3.160 20 5 FGBDLN C[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C(=O)[O-])C1 ZINC000902016696 743699127 /nfs/dbraw/zinc/69/91/27/743699127.db2.gz LWSASHKVGZXKAN-ABAIWWIYSA-N 0 2 361.423 3.403 20 5 FGBDLN C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C(=O)[O-])C1 ZINC000902016696 743699132 /nfs/dbraw/zinc/69/91/32/743699132.db2.gz LWSASHKVGZXKAN-ABAIWWIYSA-N 0 2 361.423 3.403 20 5 FGBDLN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000568060776 505606436 /nfs/dbraw/zinc/60/64/36/505606436.db2.gz NXQQKAQJMZKWLO-TZMCWYRMSA-N 0 2 366.414 3.077 20 5 FGBDLN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000568060776 505606440 /nfs/dbraw/zinc/60/64/40/505606440.db2.gz NXQQKAQJMZKWLO-TZMCWYRMSA-N 0 2 366.414 3.077 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000573872066 505639936 /nfs/dbraw/zinc/63/99/36/505639936.db2.gz XIIUVSAILJYIIE-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)n1 ZINC000076995726 494005753 /nfs/dbraw/zinc/00/57/53/494005753.db2.gz ZLOUGRYEMAUSLK-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000063444022 494055338 /nfs/dbraw/zinc/05/53/38/494055338.db2.gz JCYVFIUKYHCXIJ-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN CCc1nc2ccc(Cl)cn2c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000071448810 494093461 /nfs/dbraw/zinc/09/34/61/494093461.db2.gz AVKYNUDYGYZTMM-UHFFFAOYSA-N 0 2 360.757 3.416 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000055548849 494358759 /nfs/dbraw/zinc/35/87/59/494358759.db2.gz YXGRBVOYAKLHFK-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000055546120 494359006 /nfs/dbraw/zinc/35/90/06/494359006.db2.gz JMGAHITYZFCKHL-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066942112 494442049 /nfs/dbraw/zinc/44/20/49/494442049.db2.gz ILGCLNFGVVICHK-IRXDYDNUSA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000024627345 494647817 /nfs/dbraw/zinc/64/78/17/494647817.db2.gz OAHDFOBRNKOJKY-UHFFFAOYSA-N 0 2 367.361 3.461 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)c(F)c1 ZINC000092546342 494664446 /nfs/dbraw/zinc/66/44/46/494664446.db2.gz BMRWSJZDNYKALK-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN O=C(CCC(=O)c1ccc(F)cc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546444 494664869 /nfs/dbraw/zinc/66/48/69/494664869.db2.gz LINWIZPCJZPISR-UHFFFAOYSA-N 0 2 350.277 3.180 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000025165037 494704702 /nfs/dbraw/zinc/70/47/02/494704702.db2.gz UIEGJYIMYWXBLD-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc1 ZINC000116603422 494823657 /nfs/dbraw/zinc/82/36/57/494823657.db2.gz SQILUXGPGVRFAV-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000132402614 494868319 /nfs/dbraw/zinc/86/83/19/494868319.db2.gz VTIWPFMWFYXDJL-CQSZACIVSA-N 0 2 372.352 3.175 20 5 FGBDLN CCN(CC)c1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC000580436236 505759020 /nfs/dbraw/zinc/75/90/20/505759020.db2.gz QOCVHAGLIQPYCO-UHFFFAOYSA-N 0 2 358.398 3.075 20 5 FGBDLN Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000134688347 495187299 /nfs/dbraw/zinc/18/72/99/495187299.db2.gz YSOFBKYYWLDRSG-UHFFFAOYSA-N 0 2 365.392 3.421 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000103060074 495188037 /nfs/dbraw/zinc/18/80/37/495188037.db2.gz VZKZZDCNAAYHCK-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OCc2ccccc2)CC1 ZINC000179424475 495586293 /nfs/dbraw/zinc/58/62/93/495586293.db2.gz WSXHQXZZKIHLTO-UHFFFAOYSA-N 0 2 356.378 3.122 20 5 FGBDLN CN(C)c1cccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000179506358 495620180 /nfs/dbraw/zinc/62/01/80/495620180.db2.gz YDRZJTZSVJJGDN-QGZVFWFLSA-N 0 2 355.394 3.344 20 5 FGBDLN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159280405 495700049 /nfs/dbraw/zinc/70/00/49/495700049.db2.gz IFSKEQFPCQIEEH-UHFFFAOYSA-N 0 2 355.350 3.210 20 5 FGBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000176597177 495714151 /nfs/dbraw/zinc/71/41/51/495714151.db2.gz LBGDIUUMQASGOO-UHFFFAOYSA-N 0 2 362.820 3.024 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000186018539 495822303 /nfs/dbraw/zinc/82/23/03/495822303.db2.gz XBNVJXVBKFZFLP-NXEZZACHSA-N 0 2 352.268 3.460 20 5 FGBDLN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183355768 495945106 /nfs/dbraw/zinc/94/51/06/495945106.db2.gz FRYVYXDJIFUOKV-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000180348634 495960961 /nfs/dbraw/zinc/96/09/61/495960961.db2.gz GYISRKVJMLMFED-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000160643835 496010588 /nfs/dbraw/zinc/01/05/88/496010588.db2.gz YQDXJFKPZFLWET-UHFFFAOYSA-N 0 2 350.787 3.183 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000161179047 496121668 /nfs/dbraw/zinc/12/16/68/496121668.db2.gz SVJGWFLHOMBNGR-UHFFFAOYSA-N 0 2 354.359 3.052 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000152341730 496122286 /nfs/dbraw/zinc/12/22/86/496122286.db2.gz NDBZWDSKFKDWMP-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000152594329 496197803 /nfs/dbraw/zinc/19/78/03/496197803.db2.gz GRZLCPHPYRYNKE-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184795449 496534568 /nfs/dbraw/zinc/53/45/68/496534568.db2.gz ZKSDLXIDZVHUOI-KRWDZBQOSA-N 0 2 355.394 3.344 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(F)c1 ZINC000184965069 496603220 /nfs/dbraw/zinc/60/32/20/496603220.db2.gz HDAVQJCAXOMDID-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164393391 496609984 /nfs/dbraw/zinc/60/99/84/496609984.db2.gz YTQBGUSVLUUHGP-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN C[S@](=O)Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC000164665686 496625810 /nfs/dbraw/zinc/62/58/10/496625810.db2.gz KQSRIYJXJGYMSH-XMMPIXPASA-N 0 2 368.798 3.085 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1OC(C)C ZINC000165236904 496652148 /nfs/dbraw/zinc/65/21/48/496652148.db2.gz ARNBVEUOLPLNEN-UHFFFAOYSA-N 0 2 365.411 3.195 20 5 FGBDLN O=C(Nc1ncc(C2(O)CCCCC2)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000277851673 496910301 /nfs/dbraw/zinc/91/03/01/496910301.db2.gz CIDPQMAZLKAAQA-UHFFFAOYSA-N 0 2 363.395 3.161 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c([N+](=O)[O-])c1 ZINC000278375591 497092853 /nfs/dbraw/zinc/09/28/53/497092853.db2.gz LDNJFQICJLNBBU-UHFFFAOYSA-N 0 2 369.424 3.128 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(C2CCCCC2)o1 ZINC000194787471 497771713 /nfs/dbraw/zinc/77/17/13/497771713.db2.gz XRUJANJUHPSXDZ-UHFFFAOYSA-N 0 2 366.399 3.135 20 5 FGBDLN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280916748 497948557 /nfs/dbraw/zinc/94/85/57/497948557.db2.gz IZSXRMGXXYWJSS-OAHLLOKOSA-N 0 2 366.377 3.164 20 5 FGBDLN CSc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000569644660 505983108 /nfs/dbraw/zinc/98/31/08/505983108.db2.gz HGERKFDGAXXPSL-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN Cc1ccc(-c2nc(CCNC(=O)c3cccc(O)c3[N+](=O)[O-])co2)cc1 ZINC000370204358 499197063 /nfs/dbraw/zinc/19/70/63/499197063.db2.gz PGTIUYLIYXEJJF-UHFFFAOYSA-N 0 2 367.361 3.236 20 5 FGBDLN Cc1ccc(NC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000375623968 499538679 /nfs/dbraw/zinc/53/86/79/499538679.db2.gz MMIMMOGXILBLOV-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000392803970 499559343 /nfs/dbraw/zinc/55/93/43/499559343.db2.gz TVJYEVACNCUEAM-WCBMZHEXSA-N 0 2 370.324 3.133 20 5 FGBDLN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377819708 499738718 /nfs/dbraw/zinc/73/87/18/499738718.db2.gz YEAWTZROOFDHKR-UHFFFAOYSA-N 0 2 371.324 3.067 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000413961570 500109005 /nfs/dbraw/zinc/10/90/05/500109005.db2.gz WYPFPJYJMSYGOU-SFHVURJKSA-N 0 2 368.389 3.294 20 5 FGBDLN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000422039355 500203952 /nfs/dbraw/zinc/20/39/52/500203952.db2.gz COFGZXLUEKPDET-UHFFFAOYSA-N 0 2 372.377 3.122 20 5 FGBDLN O=C([O-])c1csc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000426658724 500302565 /nfs/dbraw/zinc/30/25/65/500302565.db2.gz XKDAKDORTPXWQA-UHFFFAOYSA-N 0 2 359.363 3.299 20 5 FGBDLN O=C([O-])c1csc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000426670752 500304175 /nfs/dbraw/zinc/30/41/75/500304175.db2.gz SWLBIHLLKYKPEF-UHFFFAOYSA-N 0 2 359.363 3.299 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc(OC)c1C ZINC000431171678 500345863 /nfs/dbraw/zinc/34/58/63/500345863.db2.gz UHNGYQKWZYVHLA-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000427088920 500352218 /nfs/dbraw/zinc/35/22/18/500352218.db2.gz LHYQWCXFKZURCA-GFCCVEGCSA-N 0 2 368.311 3.451 20 5 FGBDLN CCn1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000427711911 500423459 /nfs/dbraw/zinc/42/34/59/500423459.db2.gz BKYSLWHRUMZWOL-UHFFFAOYSA-N 0 2 352.350 3.436 20 5 FGBDLN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436929979 500572429 /nfs/dbraw/zinc/57/24/29/500572429.db2.gz GIFJWUTXTUALDI-LBPRGKRZSA-N 0 2 368.311 3.451 20 5 FGBDLN COc1cc2nc(C)sc2cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436958858 500579515 /nfs/dbraw/zinc/57/95/15/500579515.db2.gz DTEFKVOQEKNUTN-UHFFFAOYSA-N 0 2 359.363 3.479 20 5 FGBDLN O=C(NCCCCOCCc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436963731 500580855 /nfs/dbraw/zinc/58/08/55/500580855.db2.gz GQTCSTANCRXAOP-UHFFFAOYSA-N 0 2 358.394 3.070 20 5 FGBDLN COc1cccc2[nH]cc(Cc3noc(-c4ccc([N+](=O)[O-])c(O)c4)n3)c21 ZINC000445230136 500957654 /nfs/dbraw/zinc/95/76/54/500957654.db2.gz ZDNINYXIAWACIR-UHFFFAOYSA-N 0 2 366.333 3.431 20 5 FGBDLN COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436838589 501219616 /nfs/dbraw/zinc/21/96/16/501219616.db2.gz JMURYTAJJYYRMW-UHFFFAOYSA-N 0 2 358.350 3.463 20 5 FGBDLN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436892474 501228783 /nfs/dbraw/zinc/22/87/83/501228783.db2.gz JORMHLDRQYVZTI-HOCLYGCPSA-N 0 2 362.769 3.214 20 5 FGBDLN CCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C1CC1 ZINC000451087069 501244550 /nfs/dbraw/zinc/24/45/50/501244550.db2.gz NYODVAHWEDDIQO-UHFFFAOYSA-N 0 2 370.456 3.249 20 5 FGBDLN COc1ccc(OC)c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481958467 501929937 /nfs/dbraw/zinc/92/99/37/501929937.db2.gz OYYCISTZRFQWGZ-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(Br)c1 ZINC000486104150 502048202 /nfs/dbraw/zinc/04/82/02/502048202.db2.gz SNWZCYIOVUQUPM-PLNGDYQASA-N 0 2 352.144 3.037 20 5 FGBDLN Cc1c(CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)cccc1[N+](=O)[O-] ZINC000479560975 502297242 /nfs/dbraw/zinc/29/72/42/502297242.db2.gz SLDRIAWOBIKZDQ-UHFFFAOYSA-N 0 2 369.406 3.165 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(CC(C)C)nc2)c1C ZINC000475811880 502299047 /nfs/dbraw/zinc/29/90/47/502299047.db2.gz DNVUBDMCVUOELB-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN COc1ccc(COCCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000483431903 502390128 /nfs/dbraw/zinc/39/01/28/502390128.db2.gz FMRNYANYJISLSD-UHFFFAOYSA-N 0 2 360.366 3.245 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000483437650 502391990 /nfs/dbraw/zinc/39/19/90/502391990.db2.gz LDYMNHLLOJSODY-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN COc1cc(NCc2nnc(COc3ccccc3)[nH]2)c(F)cc1[N+](=O)[O-] ZINC000472647820 502410399 /nfs/dbraw/zinc/41/03/99/502410399.db2.gz FGHOLCIUXIKQEI-UHFFFAOYSA-N 0 2 373.344 3.052 20 5 FGBDLN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000469704526 502508386 /nfs/dbraw/zinc/50/83/86/502508386.db2.gz GBHSRNHTALCKES-AWEZNQCLSA-N 0 2 373.384 3.147 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c1[N+](=O)[O-] ZINC000480246362 502512365 /nfs/dbraw/zinc/51/23/65/502512365.db2.gz KLSYIALMDFCVJM-UHFFFAOYSA-N 0 2 362.407 3.337 20 5 FGBDLN Cc1cc(N2CC[C@](C(=O)[O-])(C(C)C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592982475 506321506 /nfs/dbraw/zinc/32/15/06/506321506.db2.gz DEIANYTWVSKIHG-LJQANCHMSA-N 0 2 370.409 3.297 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CC(C)(C)O3)cc1[N+](=O)[O-] ZINC000466973991 502743375 /nfs/dbraw/zinc/74/33/75/502743375.db2.gz QMRNWANJNUNJRO-UHFFFAOYSA-N 0 2 368.436 3.479 20 5 FGBDLN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000515345674 503319615 /nfs/dbraw/zinc/31/96/15/503319615.db2.gz JNQNHXYTTRIEQW-UHFFFAOYSA-N 0 2 374.303 3.231 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC000492974911 503397414 /nfs/dbraw/zinc/39/74/14/503397414.db2.gz CDPODLZUNHXECZ-UHFFFAOYSA-N 0 2 367.452 3.348 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OCCc2ccccc2)CC1 ZINC000508711465 503548941 /nfs/dbraw/zinc/54/89/41/503548941.db2.gz ZFPLDFOEYBABNC-UHFFFAOYSA-N 0 2 370.405 3.164 20 5 FGBDLN CC(=O)N(Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)C(C)C ZINC000512718196 503619583 /nfs/dbraw/zinc/61/95/83/503619583.db2.gz JYERSNANXCJLHX-UHFFFAOYSA-N 0 2 371.393 3.310 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000536701709 503688164 /nfs/dbraw/zinc/68/81/64/503688164.db2.gz PURYOFAQSNAFRT-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000536899097 503755077 /nfs/dbraw/zinc/75/50/77/503755077.db2.gz AWGWWZMXBMMKCQ-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN COc1ccc(SC)c(OC)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537189555 503833217 /nfs/dbraw/zinc/83/32/17/503833217.db2.gz WDQQXLDICFRSFI-UHFFFAOYSA-N 0 2 364.379 3.292 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)c(F)c1 ZINC000543682252 503850347 /nfs/dbraw/zinc/85/03/47/503850347.db2.gz OQYFRIGBFXBSLH-LBPRGKRZSA-N 0 2 370.324 3.133 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]nc1-c1ccccc1 ZINC000538008598 504111358 /nfs/dbraw/zinc/11/13/58/504111358.db2.gz RVQYGOJDZPRKBC-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN C[C@H](C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc([N+](=O)[O-])cc1F ZINC000544429950 504131641 /nfs/dbraw/zinc/13/16/41/504131641.db2.gz IMFUIVQCCDQOTF-QMMMGPOBSA-N 0 2 352.391 3.047 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)c1 ZINC000541784940 504254349 /nfs/dbraw/zinc/25/43/49/504254349.db2.gz NJHQAKFLJQZAJG-UHFFFAOYSA-N 0 2 366.443 3.324 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]nc1-c1ccccc1 ZINC000535514604 504456833 /nfs/dbraw/zinc/45/68/33/504456833.db2.gz UNGCLTOUPHJCIH-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN CSc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1 ZINC000535515440 504457479 /nfs/dbraw/zinc/45/74/79/504457479.db2.gz BWUMSTJKBPCNBY-UHFFFAOYSA-N 0 2 362.411 3.000 20 5 FGBDLN COc1ccnc2c(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cccc12 ZINC000536611466 504769445 /nfs/dbraw/zinc/76/94/45/504769445.db2.gz VPWIIQUHVDUGLC-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@H]1F ZINC000565142434 504807187 /nfs/dbraw/zinc/80/71/87/504807187.db2.gz AZQHODBIJBONMC-DTWKUNHWSA-N 0 2 357.190 3.071 20 5 FGBDLN O=C(NCCc1ccccc1OC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000556897684 505010256 /nfs/dbraw/zinc/01/02/56/505010256.db2.gz SUWYNRMUZAIATN-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN CC(C)Cn1ncc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C(F)F ZINC000556954218 505029181 /nfs/dbraw/zinc/02/91/81/505029181.db2.gz KAXZGWLMHOTGTA-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN COc1ccc(C[N@@H+]2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000566510322 505192600 /nfs/dbraw/zinc/19/26/00/505192600.db2.gz OXPBKNITTXABLE-JKSUJKDBSA-N 0 2 356.378 3.394 20 5 FGBDLN COc1ccc(C[N@H+]2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000566510322 505192604 /nfs/dbraw/zinc/19/26/04/505192604.db2.gz OXPBKNITTXABLE-JKSUJKDBSA-N 0 2 356.378 3.394 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(F)c(F)c3)sc2c1 ZINC000551530029 505245371 /nfs/dbraw/zinc/24/53/71/505245371.db2.gz MGBCOMUCNRICNR-UHFFFAOYSA-N 0 2 371.346 3.284 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)s1 ZINC000564210897 505354241 /nfs/dbraw/zinc/35/42/41/505354241.db2.gz LLIXUEBUMXALMS-UHFFFAOYSA-N 0 2 370.456 3.152 20 5 FGBDLN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000552232212 505435518 /nfs/dbraw/zinc/43/55/18/505435518.db2.gz GCPPDNVZRMQZBJ-YPMHNXCESA-N 0 2 364.304 3.188 20 5 FGBDLN CNC(=O)[C@H]1CCCc2sc(/C=C\c3ccc(O)c([N+](=O)[O-])c3)nc21 ZINC000555464534 505437311 /nfs/dbraw/zinc/43/73/11/505437311.db2.gz ZBWKSVLCSCPXSJ-JYKYSHPRSA-N 0 2 359.407 3.093 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1-c1ccccc1 ZINC000552456568 505496774 /nfs/dbraw/zinc/49/67/74/505496774.db2.gz ABWRKFIHZBXISM-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1Br ZINC000552491164 505501822 /nfs/dbraw/zinc/50/18/22/505501822.db2.gz HVJUKIXLLXFRGY-UHFFFAOYSA-N 0 2 365.183 3.301 20 5 FGBDLN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000612428727 506575190 /nfs/dbraw/zinc/57/51/90/506575190.db2.gz WWHBBCOXDDTRTR-AWEZNQCLSA-N 0 2 355.394 3.171 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)c1 ZINC000612599692 506645266 /nfs/dbraw/zinc/64/52/66/506645266.db2.gz KUVZKJCZJBAHCA-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000590654641 506897744 /nfs/dbraw/zinc/89/77/44/506897744.db2.gz VJFYUJKWICBXOE-UHFFFAOYSA-N 0 2 370.405 3.491 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000583755524 506955387 /nfs/dbraw/zinc/95/53/87/506955387.db2.gz TVALJGLXBJCXCV-UHFFFAOYSA-N 0 2 358.398 3.186 20 5 FGBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597603516 507026830 /nfs/dbraw/zinc/02/68/30/507026830.db2.gz CULLRKKJWAUOJI-OJLVUWQFSA-N 0 2 362.426 3.092 20 5 FGBDLN COc1cccc([C@]2(C)CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000598226138 507327500 /nfs/dbraw/zinc/32/75/00/507327500.db2.gz STLKZPAIVGHTCO-LJQANCHMSA-N 0 2 356.378 3.113 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000610657453 507333753 /nfs/dbraw/zinc/33/37/53/507333753.db2.gz YGKRDDVQCRZFTI-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN Cc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000089102741 700382331 /nfs/dbraw/zinc/38/23/31/700382331.db2.gz RSFOAWXKLKLKSG-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000161114939 705269210 /nfs/dbraw/zinc/26/92/10/705269210.db2.gz BZEGOEXEUPTREQ-UHFFFAOYSA-N 0 2 355.441 3.337 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000522363088 714184468 /nfs/dbraw/zinc/18/44/68/714184468.db2.gz RPBPVBKVBUCDGA-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN CCCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466761 714839611 /nfs/dbraw/zinc/83/96/11/714839611.db2.gz PMJBRQGJWVCFEN-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(SC)c1C ZINC000619467923 714840241 /nfs/dbraw/zinc/84/02/41/714840241.db2.gz NJYCOSGZUNEAAO-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC000790416769 723137787 /nfs/dbraw/zinc/13/77/87/723137787.db2.gz DAYZOWMNGFZAAY-SNVBAGLBSA-N 0 2 370.406 3.319 20 5 FGBDLN CSc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccn1 ZINC000766750479 723590062 /nfs/dbraw/zinc/59/00/62/723590062.db2.gz IYPZKYHERWPNRX-UHFFFAOYSA-N 0 2 373.843 3.474 20 5 FGBDLN O=C(OC/C=C/Cl)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387152 724298767 /nfs/dbraw/zinc/29/87/67/724298767.db2.gz SJQNYJSYJKTFNT-DAFODLJHSA-N 0 2 358.137 3.049 20 5 FGBDLN O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000788304060 725056826 /nfs/dbraw/zinc/05/68/26/725056826.db2.gz YWBCTWGAGJVGBL-AWEZNQCLSA-N 0 2 371.176 3.071 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccnn2C2CCCC2)c(C)cc1[N+](=O)[O-] ZINC000840912874 730190273 /nfs/dbraw/zinc/19/02/73/730190273.db2.gz YEORDBQWQCKBME-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000032586638 493997062 /nfs/dbraw/zinc/99/70/62/493997062.db2.gz OXACYYBDAWBZTL-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OC[C@H]2CCCO2)c1 ZINC000065716953 494228512 /nfs/dbraw/zinc/22/85/12/494228512.db2.gz VSBICZYSDOYMNH-CQSZACIVSA-N 0 2 372.377 3.419 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2ccc(F)cc2)CCOCC1 ZINC000089531365 494321765 /nfs/dbraw/zinc/32/17/65/494321765.db2.gz KQSJJBNAQQJAPQ-UHFFFAOYSA-N 0 2 360.341 3.126 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000055590323 494368823 /nfs/dbraw/zinc/36/88/23/494368823.db2.gz OZASGOQUBSZXMN-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055631899 494376988 /nfs/dbraw/zinc/37/69/88/494376988.db2.gz IDHKPUDHHVDDOC-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN CCCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000055687833 494390363 /nfs/dbraw/zinc/39/03/63/494390363.db2.gz QABQOKFDNDUWKE-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN O=C(NCCSc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018206025 494428705 /nfs/dbraw/zinc/42/87/05/494428705.db2.gz PTTSGMOSDWWWSK-UHFFFAOYSA-N 0 2 352.799 3.476 20 5 FGBDLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000057123438 494647582 /nfs/dbraw/zinc/64/75/82/494647582.db2.gz APWUAFWPKOHRDT-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000121602853 494816927 /nfs/dbraw/zinc/81/69/27/494816927.db2.gz HUFPPCJOHHFIAU-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CC(C)(C)C)n[nH]1 ZINC000126766776 494834716 /nfs/dbraw/zinc/83/47/16/494834716.db2.gz CGYQZENQMAYTGC-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN O=C(NCc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132404350 494869602 /nfs/dbraw/zinc/86/96/02/494869602.db2.gz WYTLMQRJHGEGIW-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000127314966 494926810 /nfs/dbraw/zinc/92/68/10/494926810.db2.gz JFICNKLZOQOZBQ-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000101666039 495090392 /nfs/dbraw/zinc/09/03/92/495090392.db2.gz ICJBNIANWHDNKG-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000134665527 495184043 /nfs/dbraw/zinc/18/40/43/495184043.db2.gz NQHYXCFPRDIGEE-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN C[C@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](C)O1 ZINC000130179439 495352759 /nfs/dbraw/zinc/35/27/59/495352759.db2.gz IXJWYNNSPHKRPU-STQMWFEESA-N 0 2 371.393 3.166 20 5 FGBDLN COc1ccc(C[C@H](C)CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000124946660 495368426 /nfs/dbraw/zinc/36/84/26/495368426.db2.gz CLJSEIRFJBDKAA-ZDUSSCGKSA-N 0 2 358.394 3.260 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000158553318 495537132 /nfs/dbraw/zinc/53/71/32/495537132.db2.gz AXMZQHKMSIWGOM-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN O=C(c1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179414232 495582037 /nfs/dbraw/zinc/58/20/37/495582037.db2.gz GVUNAWLVJVUDDC-UHFFFAOYSA-N 0 2 354.362 3.036 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000179548530 495635122 /nfs/dbraw/zinc/63/51/22/495635122.db2.gz OWWMJNZWRQKRFS-LBPRGKRZSA-N 0 2 362.769 3.247 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000179621971 495664559 /nfs/dbraw/zinc/66/45/59/495664559.db2.gz FSFRPHWMEHSPBO-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN CC(C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC000185921501 495782427 /nfs/dbraw/zinc/78/24/27/495782427.db2.gz GWDCQUAWKLXBTP-UHFFFAOYSA-N 0 2 367.452 3.181 20 5 FGBDLN CC(C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC000185921501 495782434 /nfs/dbraw/zinc/78/24/34/495782434.db2.gz GWDCQUAWKLXBTP-UHFFFAOYSA-N 0 2 367.452 3.181 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000180143721 495877418 /nfs/dbraw/zinc/87/74/18/495877418.db2.gz IZPBYDOMWODUPF-HNNXBMFYSA-N 0 2 354.362 3.178 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000180161386 495887429 /nfs/dbraw/zinc/88/74/29/495887429.db2.gz KXGWSNVDYVOPAO-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C(=O)N1CCCC1 ZINC000183409983 495971295 /nfs/dbraw/zinc/97/12/95/495971295.db2.gz TVVYPZHQZVVURK-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN O=C(NCC1(CCOCc2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000186518412 496027962 /nfs/dbraw/zinc/02/79/62/496027962.db2.gz RSIHLHDMFNCETG-UHFFFAOYSA-N 0 2 370.405 3.417 20 5 FGBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)sc1Br ZINC000180770285 496140026 /nfs/dbraw/zinc/14/00/26/496140026.db2.gz IZDWNHIYVVBKTH-UHFFFAOYSA-N 0 2 373.184 3.385 20 5 FGBDLN COc1ccc(C)nc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000178200074 496368233 /nfs/dbraw/zinc/36/82/33/496368233.db2.gz GMSQGVXOZPVGLU-UHFFFAOYSA-N 0 2 371.802 3.069 20 5 FGBDLN Cc1ccc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n[nH]2)s1 ZINC000153213445 496386111 /nfs/dbraw/zinc/38/61/11/496386111.db2.gz UAIKORNRSXZLAQ-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[nH]n1 ZINC000162938596 496436390 /nfs/dbraw/zinc/43/63/90/496436390.db2.gz MLYPGKDOJAYJNJ-SNVBAGLBSA-N 0 2 368.415 3.031 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c1C ZINC000163133802 496470986 /nfs/dbraw/zinc/47/09/86/496470986.db2.gz CFMRJZHMVZEUCU-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000184688194 496493707 /nfs/dbraw/zinc/49/37/07/496493707.db2.gz OQCWNZIUUNUYDD-UHFFFAOYSA-N 0 2 366.377 3.197 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000187755105 496558610 /nfs/dbraw/zinc/55/86/10/496558610.db2.gz UGNVJMMWPUUBRO-IAQYHMDHSA-N 0 2 362.407 3.090 20 5 FGBDLN O=C(Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccco1 ZINC000164073649 496583801 /nfs/dbraw/zinc/58/38/01/496583801.db2.gz XUGQFIQGOLYSFJ-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000187890357 496610955 /nfs/dbraw/zinc/61/09/55/496610955.db2.gz QMXULDDVZSXDNF-UHFFFAOYSA-N 0 2 366.333 3.480 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179096958 496674609 /nfs/dbraw/zinc/67/46/09/496674609.db2.gz GIQXTHXRUGILDW-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN COc1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc([N+](=O)[O-])c1C ZINC000192275013 497058720 /nfs/dbraw/zinc/05/87/20/497058720.db2.gz XIISVGKXSHSSEY-UHFFFAOYSA-N 0 2 371.328 3.088 20 5 FGBDLN Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000237835925 497299718 /nfs/dbraw/zinc/29/97/18/497299718.db2.gz MLMCJCZGDXCUKZ-UHFFFAOYSA-N 0 2 366.333 3.039 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c2ncccc12 ZINC000193127093 497309895 /nfs/dbraw/zinc/30/98/95/497309895.db2.gz SOZJIGKKTDTNPZ-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cccc1OC ZINC000194219391 497605888 /nfs/dbraw/zinc/60/58/88/497605888.db2.gz HSWDCEBRTPZIHI-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN CC(=O)c1ccc([N+](=O)[O-])cc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000581164582 505924357 /nfs/dbraw/zinc/92/43/57/505924357.db2.gz VJTGYLRLCIDLGX-UHFFFAOYSA-N 0 2 358.379 3.144 20 5 FGBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000194745219 497757196 /nfs/dbraw/zinc/75/71/96/497757196.db2.gz BSQZIVQIBPWSHX-LLVKDONJSA-N 0 2 369.377 3.140 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000280764835 497888580 /nfs/dbraw/zinc/88/85/80/497888580.db2.gz BGCSPKXFFBPSJH-SMDDNHRTSA-N 0 2 362.407 3.090 20 5 FGBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330523044 498147471 /nfs/dbraw/zinc/14/74/71/498147471.db2.gz OTXYGCSKZSXUDN-UHFFFAOYSA-N 0 2 366.443 3.043 20 5 FGBDLN CC(=O)N1CCSc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000361636790 498412974 /nfs/dbraw/zinc/41/29/74/498412974.db2.gz SZUYPRLHHURGNU-UHFFFAOYSA-N 0 2 373.390 3.011 20 5 FGBDLN O=C([O-])CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000569934659 506051013 /nfs/dbraw/zinc/05/10/13/506051013.db2.gz LNWNVZAUGHUEFH-UHFFFAOYSA-N 0 2 356.350 3.411 20 5 FGBDLN O=C([O-])CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000569934659 506051015 /nfs/dbraw/zinc/05/10/15/506051015.db2.gz LNWNVZAUGHUEFH-UHFFFAOYSA-N 0 2 356.350 3.411 20 5 FGBDLN CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cnn(C)c1 ZINC000372513021 499136891 /nfs/dbraw/zinc/13/68/91/499136891.db2.gz BDAJIGYQYPYKIB-FXAWDEMLSA-N 0 2 371.485 3.233 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000367515835 499208019 /nfs/dbraw/zinc/20/80/19/499208019.db2.gz XRKZFYFNCLVZHS-GFCCVEGCSA-N 0 2 367.361 3.461 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(-c2cncnc2)cc1 ZINC000368611128 499313684 /nfs/dbraw/zinc/31/36/84/499313684.db2.gz CGQTWVTYPWBYNB-GFCCVEGCSA-N 0 2 364.361 3.248 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000368614755 499313978 /nfs/dbraw/zinc/31/39/78/499313978.db2.gz OIAJPZLRKWXIEL-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)c(C)cc1F ZINC000410403178 499660419 /nfs/dbraw/zinc/66/04/19/499660419.db2.gz LBAFXZLXMZBPLC-UHFFFAOYSA-N 0 2 372.349 3.381 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000414385213 499784585 /nfs/dbraw/zinc/78/45/85/499784585.db2.gz VGOFREXWWYKZDE-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc2)n1 ZINC000579384250 506161618 /nfs/dbraw/zinc/16/16/18/506161618.db2.gz IKSLVXRWMLSNGU-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579496231 506189388 /nfs/dbraw/zinc/18/93/88/506189388.db2.gz AKDITWXJOIPPRS-SUMWQHHRSA-N 0 2 372.425 3.327 20 5 FGBDLN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579496231 506189391 /nfs/dbraw/zinc/18/93/91/506189391.db2.gz AKDITWXJOIPPRS-SUMWQHHRSA-N 0 2 372.425 3.327 20 5 FGBDLN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436947376 500577047 /nfs/dbraw/zinc/57/70/47/500577047.db2.gz LZWOQLVPQVELCU-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN Cn1cc(Nc2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)cn1 ZINC000436961506 500580048 /nfs/dbraw/zinc/58/00/48/500580048.db2.gz HOEYCYTVZBHZMO-UHFFFAOYSA-N 0 2 353.338 3.030 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(-c2ccncc2)cs1 ZINC000436972609 500583305 /nfs/dbraw/zinc/58/33/05/500583305.db2.gz OXTRYJJNRAQDHB-JTQLQIEISA-N 0 2 370.390 3.310 20 5 FGBDLN COc1ccc(C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000436990683 500588118 /nfs/dbraw/zinc/58/81/18/500588118.db2.gz PHPRCTDDUYCYQI-HNNXBMFYSA-N 0 2 370.405 3.404 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)c1 ZINC000570632616 506208472 /nfs/dbraw/zinc/20/84/72/506208472.db2.gz UTLQWSNZQDYUGJ-UHFFFAOYSA-N 0 2 350.400 3.166 20 5 FGBDLN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000436510370 501143873 /nfs/dbraw/zinc/14/38/73/501143873.db2.gz ISYIAIKWBBPUGC-GOSISDBHSA-N 0 2 362.332 3.459 20 5 FGBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2ccccc2[nH]1 ZINC000436511745 501143969 /nfs/dbraw/zinc/14/39/69/501143969.db2.gz HRJIHEVVPMWUKT-INIZCTEOSA-N 0 2 354.366 3.304 20 5 FGBDLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000436606834 501168249 /nfs/dbraw/zinc/16/82/49/501168249.db2.gz NKXHKRBWTWJQPS-UHFFFAOYSA-N 0 2 364.379 3.002 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436676026 501186239 /nfs/dbraw/zinc/18/62/39/501186239.db2.gz ZNLQOZUXOZAFLP-OAHLLOKOSA-N 0 2 372.377 3.295 20 5 FGBDLN O=C(NCCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000436681553 501186937 /nfs/dbraw/zinc/18/69/37/501186937.db2.gz ROWYSDNDYJOWBK-UHFFFAOYSA-N 0 2 369.402 3.396 20 5 FGBDLN Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2nc1C1CC1 ZINC000436883420 501227172 /nfs/dbraw/zinc/22/71/72/501227172.db2.gz FTSLRZDPSAOJLP-UHFFFAOYSA-N 0 2 352.350 3.317 20 5 FGBDLN CCCn1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C1CC1 ZINC000451077495 501243659 /nfs/dbraw/zinc/24/36/59/501243659.db2.gz BJVBHQGPPBPXMQ-UHFFFAOYSA-N 0 2 364.427 3.188 20 5 FGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000456102937 501455218 /nfs/dbraw/zinc/45/52/18/501455218.db2.gz PHVUGRWQVVUVGK-ZDUSSCGKSA-N 0 2 358.394 3.402 20 5 FGBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ccccc1 ZINC000485231098 501763049 /nfs/dbraw/zinc/76/30/49/501763049.db2.gz PBXCWKRMDIMMQL-UHFFFAOYSA-N 0 2 357.185 3.158 20 5 FGBDLN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000592878527 506287844 /nfs/dbraw/zinc/28/78/44/506287844.db2.gz FGPBMTBJKSWMQM-DIFFPNOSSA-N 0 2 360.341 3.042 20 5 FGBDLN Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Br ZINC000486056523 502033129 /nfs/dbraw/zinc/03/31/29/502033129.db2.gz WGINQFGZNYTIRM-PLNGDYQASA-N 0 2 352.144 3.037 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2csc(-c3ccc(F)cc3)n2)[nH]1 ZINC000486072306 502037738 /nfs/dbraw/zinc/03/77/38/502037738.db2.gz DCNQYCLYNGWBOS-AATRIKPKSA-N 0 2 360.326 3.229 20 5 FGBDLN O=[N+]([O-])c1ccc(CNc2nc(Cc3ccc(F)cc3F)ns2)cc1 ZINC000461221887 502044337 /nfs/dbraw/zinc/04/43/37/502044337.db2.gz XXVROVCOZLWHKD-UHFFFAOYSA-N 0 2 362.361 3.349 20 5 FGBDLN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000482511722 502094654 /nfs/dbraw/zinc/09/46/54/502094654.db2.gz XXBOMTOJQBGJHZ-CYBMUJFWSA-N 0 2 358.247 3.473 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c1 ZINC000479142933 502175108 /nfs/dbraw/zinc/17/51/08/502175108.db2.gz LACIFOSFASJTTG-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2nc3ccsc3s2)ccc1[N+](=O)[O-] ZINC000468783961 502182610 /nfs/dbraw/zinc/18/26/10/502182610.db2.gz BRWOQKUDNOKGAS-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(CC)cc2)c([N+](=O)[O-])c1 ZINC000476292430 502446050 /nfs/dbraw/zinc/44/60/50/502446050.db2.gz YMJHZUCHTYULRB-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN COc1ccc2c(c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)CCC2 ZINC000480191922 502496557 /nfs/dbraw/zinc/49/65/57/502496557.db2.gz DPOCJBUIAYDOIN-UHFFFAOYSA-N 0 2 362.407 3.201 20 5 FGBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OCC2CC2)c1 ZINC000473088204 502517125 /nfs/dbraw/zinc/51/71/25/502517125.db2.gz VTIWBBYWLSOZBS-UHFFFAOYSA-N 0 2 358.350 3.350 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)cc1 ZINC000500872709 502883412 /nfs/dbraw/zinc/88/34/12/502883412.db2.gz ATIMCPCORQKWNM-UHFFFAOYSA-N 0 2 371.346 3.284 20 5 FGBDLN O=C(NCc1ccnc(OC2CCCCC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000505511065 502921700 /nfs/dbraw/zinc/92/17/00/502921700.db2.gz ZSFBIGQKFZRXOB-UHFFFAOYSA-N 0 2 371.393 3.337 20 5 FGBDLN O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506341799 503097156 /nfs/dbraw/zinc/09/71/56/503097156.db2.gz LFFXRZWKBWSULZ-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507660550 503340741 /nfs/dbraw/zinc/34/07/41/503340741.db2.gz NTGQVZMPRCOADT-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2n[nH]cc21 ZINC000499267980 503369711 /nfs/dbraw/zinc/36/97/11/503369711.db2.gz RCRIQYSEROLOMN-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]nc1-c1ccccc1 ZINC000540211431 503711582 /nfs/dbraw/zinc/71/15/82/503711582.db2.gz QMEWPCHZMKMCKL-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN O=C(Nc1cccc(Oc2cnccn2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000537107224 503805005 /nfs/dbraw/zinc/80/50/05/503805005.db2.gz PMQZQIIJXHGFII-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000543663910 503845476 /nfs/dbraw/zinc/84/54/76/503845476.db2.gz POSIRAYKYLCRTR-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN COc1ccc(C(=O)CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000534068810 504031699 /nfs/dbraw/zinc/03/16/99/504031699.db2.gz OMIMXQXJCLKPEX-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000538010508 504112266 /nfs/dbraw/zinc/11/22/66/504112266.db2.gz GCEPXUIHAZEKAZ-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(-c2ccccc2Cl)c1 ZINC000547863107 504253370 /nfs/dbraw/zinc/25/33/70/504253370.db2.gz NENOVOMARJKCPF-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN CCOc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1 ZINC000536519750 504753513 /nfs/dbraw/zinc/75/35/13/504753513.db2.gz HJSKKKSQIGTRFZ-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCc2c(OC(F)F)cccc21 ZINC000557490592 505149071 /nfs/dbraw/zinc/14/90/71/505149071.db2.gz NVNRSVGXVCAEMA-UHFFFAOYSA-N 0 2 364.304 3.495 20 5 FGBDLN C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cccc(Cl)c1 ZINC000552048950 505381637 /nfs/dbraw/zinc/38/16/37/505381637.db2.gz FHPOJEGCGJFFIJ-SNVBAGLBSA-N 0 2 350.758 3.151 20 5 FGBDLN CNC(=O)[C@@H]1CCCc2sc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)nc21 ZINC000555464535 505437135 /nfs/dbraw/zinc/43/71/35/505437135.db2.gz ZBWKSVLCSCPXSJ-LXSSAFMLSA-N 0 2 359.407 3.093 20 5 FGBDLN COC(C)(C)c1nc(C)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000562182377 505534387 /nfs/dbraw/zinc/53/43/87/505534387.db2.gz GEORYTDAAWDUPA-UHFFFAOYSA-N 0 2 351.384 3.199 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000608875637 506733375 /nfs/dbraw/zinc/73/33/75/506733375.db2.gz PGPUVUZPOQJGDG-LLVKDONJSA-N 0 2 366.395 3.112 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1C ZINC000604457519 506837438 /nfs/dbraw/zinc/83/74/38/506837438.db2.gz XHFGXAVYYXQQEK-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1cc(C)c(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000594700320 507243961 /nfs/dbraw/zinc/24/39/61/507243961.db2.gz QDIVNPDBBJSMJI-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1 ZINC000610499728 507263927 /nfs/dbraw/zinc/26/39/27/507263927.db2.gz JDUONYVPWVLZJN-UHFFFAOYSA-N 0 2 352.416 3.033 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000613978574 507323516 /nfs/dbraw/zinc/32/35/16/507323516.db2.gz PHULEEOWICXBQZ-DTORHVGOSA-N 0 2 372.221 3.113 20 5 FGBDLN CC(C)(C)c1noc2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000611294720 507609246 /nfs/dbraw/zinc/60/92/46/507609246.db2.gz DHXXJUNSMMCIEQ-UHFFFAOYSA-N 0 2 356.338 3.386 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000045499923 695822366 /nfs/dbraw/zinc/82/23/66/695822366.db2.gz OCTGIBGRSMRJPX-UHFFFAOYSA-N 0 2 362.407 3.283 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000619506781 714846878 /nfs/dbraw/zinc/84/68/78/714846878.db2.gz GQEGMLOPEAWFLO-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1C ZINC000790421698 723138423 /nfs/dbraw/zinc/13/84/23/723138423.db2.gz YSZJXTCNERPUME-JTQLQIEISA-N 0 2 370.406 3.319 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2O)c(Cl)cc1Cl ZINC000791432436 723243162 /nfs/dbraw/zinc/24/31/62/723243162.db2.gz MTSLYCAXAJPTND-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc2n[nH]cc21 ZINC000766329102 723568783 /nfs/dbraw/zinc/56/87/83/723568783.db2.gz ISILLVOTMHKTNX-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN Cc1cc(Br)ncc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000796817677 723655934 /nfs/dbraw/zinc/65/59/34/723655934.db2.gz RJQFSNTYDIUNIN-UHFFFAOYSA-N 0 2 352.144 3.019 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cs1 ZINC000768862831 723669944 /nfs/dbraw/zinc/66/99/44/723669944.db2.gz YZYBTNTZQLMDJT-UHFFFAOYSA-N 0 2 374.469 3.356 20 5 FGBDLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768892397 723671371 /nfs/dbraw/zinc/67/13/71/723671371.db2.gz SBXMPAKAWGXFRU-UHFFFAOYSA-N 0 2 360.388 3.383 20 5 FGBDLN O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000788307530 725057383 /nfs/dbraw/zinc/05/73/83/725057383.db2.gz QRBKNMWCFFCUPC-CYBMUJFWSA-N 0 2 371.176 3.071 20 5 FGBDLN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757923 731631240 /nfs/dbraw/zinc/63/12/40/731631240.db2.gz QPNOYDDFESBQOM-MDZLAQPJSA-N 0 2 359.348 3.045 20 5 FGBDLN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757923 731631241 /nfs/dbraw/zinc/63/12/41/731631241.db2.gz QPNOYDDFESBQOM-MDZLAQPJSA-N 0 2 359.348 3.045 20 5 FGBDLN O=C([O-])C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CCCC1 ZINC000902038587 743702575 /nfs/dbraw/zinc/70/25/75/743702575.db2.gz KRABGDKBSSZFNC-UHFFFAOYSA-N 0 2 363.233 3.248 20 5 FGBDLN O=C([O-])C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1CCCC1 ZINC000902038587 743702578 /nfs/dbraw/zinc/70/25/78/743702578.db2.gz KRABGDKBSSZFNC-UHFFFAOYSA-N 0 2 363.233 3.248 20 5 FGBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000920585439 758577619 /nfs/dbraw/zinc/57/76/19/758577619.db2.gz QJELWIAJPPZMGX-VIFPVBQESA-N 0 2 363.351 3.328 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1)CC1CCOCC1 ZINC000077013539 494010086 /nfs/dbraw/zinc/01/00/86/494010086.db2.gz XESFNUCTBJDZMG-UHFFFAOYSA-N 0 2 370.405 3.369 20 5 FGBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(F)cc1 ZINC000089531682 494321988 /nfs/dbraw/zinc/32/19/88/494321988.db2.gz SNGTWMNPUFQGOZ-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000055556394 494360522 /nfs/dbraw/zinc/36/05/22/494360522.db2.gz FZRHCDIHFQQWRX-UHFFFAOYSA-N 0 2 362.407 3.283 20 5 FGBDLN COc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000055589936 494368810 /nfs/dbraw/zinc/36/88/10/494368810.db2.gz LEZHOMXEGKRPHQ-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000115717573 494604865 /nfs/dbraw/zinc/60/48/65/494604865.db2.gz FXMYRVXCSXGHTH-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN O=C(NCc1ccc(Br)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000025474574 494747733 /nfs/dbraw/zinc/74/77/33/494747733.db2.gz RKMMNENAWXIPQH-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN COc1cccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000128008820 495030601 /nfs/dbraw/zinc/03/06/01/495030601.db2.gz TXZLSVHAWYJQAY-UHFFFAOYSA-N 0 2 371.393 3.026 20 5 FGBDLN CC(=O)N(Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC000118956939 495057876 /nfs/dbraw/zinc/05/78/76/495057876.db2.gz XHHPHFUJFNKMKH-UHFFFAOYSA-N 0 2 369.377 3.064 20 5 FGBDLN Cc1cc(F)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1F ZINC000136732138 495398023 /nfs/dbraw/zinc/39/80/23/495398023.db2.gz OOSPKIDBCVFNPK-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000150750904 495622169 /nfs/dbraw/zinc/62/21/69/495622169.db2.gz KQSVKMOKCXXODK-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179545247 495635300 /nfs/dbraw/zinc/63/53/00/495635300.db2.gz RWFDBIGMWPAPRN-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN CO[C@H](C)c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000171013539 495688756 /nfs/dbraw/zinc/68/87/56/495688756.db2.gz ADRVQOTVWGVNKZ-GFCCVEGCSA-N 0 2 350.396 3.411 20 5 FGBDLN COc1ccc(C[C@H](C)CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000185789343 495726522 /nfs/dbraw/zinc/72/65/22/495726522.db2.gz CMDVYMULLKZFOW-ZDUSSCGKSA-N 0 2 358.394 3.260 20 5 FGBDLN CCCc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000179839681 495755758 /nfs/dbraw/zinc/75/57/58/495755758.db2.gz MHHLMJQQOJBNTO-UHFFFAOYSA-N 0 2 372.834 3.043 20 5 FGBDLN CC(C)Cc1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cs1 ZINC000171484378 495897521 /nfs/dbraw/zinc/89/75/21/495897521.db2.gz YUNBOSVRDSWWJZ-UHFFFAOYSA-N 0 2 372.410 3.287 20 5 FGBDLN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc(F)c(O)c(F)c1 ZINC000177128531 495938734 /nfs/dbraw/zinc/93/87/34/495938734.db2.gz BMPJTLLEWBYEPA-UHFFFAOYSA-N 0 2 360.276 3.221 20 5 FGBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000571804221 505817148 /nfs/dbraw/zinc/81/71/48/505817148.db2.gz MIWVIIBAZFUJRF-UHFFFAOYSA-N 0 2 357.370 3.125 20 5 FGBDLN Cc1nc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000180755683 496132536 /nfs/dbraw/zinc/13/25/36/496132536.db2.gz KPPHHWJAHJTMSH-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccc(C2(C(=O)Nc3cc([N+](=O)[O-])ccc3O)CCOCC2)cc1 ZINC000180777427 496142254 /nfs/dbraw/zinc/14/22/54/496142254.db2.gz AWVVVEKDFFZFTQ-UHFFFAOYSA-N 0 2 356.378 3.296 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000172181984 496198115 /nfs/dbraw/zinc/19/81/15/496198115.db2.gz BQMFNKSPUZSSFX-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1n[nH]c2c1cccc2Cl ZINC000153443362 496457145 /nfs/dbraw/zinc/45/71/45/496457145.db2.gz YZBGLHHRAWLGQR-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c2ncccc12 ZINC000184768708 496523698 /nfs/dbraw/zinc/52/36/98/496523698.db2.gz VQIYMOVCTWXWPT-UHFFFAOYSA-N 0 2 365.317 3.222 20 5 FGBDLN COc1cc(NCc2nnc(COc3ccccc3)[nH]2)c([N+](=O)[O-])cc1F ZINC000184778066 496529304 /nfs/dbraw/zinc/52/93/04/496529304.db2.gz IIUWQRVINBAPPY-UHFFFAOYSA-N 0 2 373.344 3.052 20 5 FGBDLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000181785787 496544011 /nfs/dbraw/zinc/54/40/11/496544011.db2.gz CMYUMZWGGVRNLW-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cccc1C(=O)N1CCCC1 ZINC000164442693 496611528 /nfs/dbraw/zinc/61/15/28/496611528.db2.gz GKEXULAOZYPLPR-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN O=C(N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000182155131 496690122 /nfs/dbraw/zinc/69/01/22/496690122.db2.gz ITUFHKURONIFLW-SUMWQHHRSA-N 0 2 356.378 3.198 20 5 FGBDLN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1C[C@H]1CCCO1 ZINC000194903887 496756318 /nfs/dbraw/zinc/75/63/18/496756318.db2.gz FYPKQWMMIADBFL-ACJLOTCBSA-N 0 2 369.377 3.046 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2n[nH]c3cccc(F)c32)cc1[N+](=O)[O-] ZINC000191903296 496926728 /nfs/dbraw/zinc/92/67/28/496926728.db2.gz YQOICFISTNNZJC-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)cc1[N+](=O)[O-] ZINC000278404445 497103602 /nfs/dbraw/zinc/10/36/02/497103602.db2.gz OSOHWRWOLMLMKW-UHFFFAOYSA-N 0 2 369.424 3.128 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)cc1O ZINC000189933193 497298360 /nfs/dbraw/zinc/29/83/60/497298360.db2.gz LSVJYKGGYUTAPX-UHFFFAOYSA-N 0 2 367.365 3.403 20 5 FGBDLN CCc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3O)CCO2)cc1 ZINC000190894803 497636427 /nfs/dbraw/zinc/63/64/27/497636427.db2.gz SLNUIUXSMRLTKG-SFHVURJKSA-N 0 2 356.378 3.077 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2ccccc2)nn1 ZINC000191036210 497688501 /nfs/dbraw/zinc/68/85/01/497688501.db2.gz JVVCXZSSSUSWOW-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000194657727 497732090 /nfs/dbraw/zinc/73/20/90/497732090.db2.gz XFECHNPYTUETAC-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCNC(=O)Nc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000581290184 505952457 /nfs/dbraw/zinc/95/24/57/505952457.db2.gz JAHZBSRCJLHBPH-UHFFFAOYSA-N 0 2 358.354 3.003 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cccnc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000572795323 506053301 /nfs/dbraw/zinc/05/33/01/506053301.db2.gz XBLXJJLWSJCQMX-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000369231050 499380324 /nfs/dbraw/zinc/38/03/24/499380324.db2.gz KSXSMVPOAHIDLI-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN Cc1ccc(-c2cnccn2)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375910878 499567925 /nfs/dbraw/zinc/56/79/25/499567925.db2.gz WYJUCHXCCYUWTQ-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000377783082 499732818 /nfs/dbraw/zinc/73/28/18/499732818.db2.gz NWQYYENXDOBWSI-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1C ZINC000414387603 499784750 /nfs/dbraw/zinc/78/47/50/499784750.db2.gz YQAQELBUUPQRHL-GFCCVEGCSA-N 0 2 366.443 3.488 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412708986 499878475 /nfs/dbraw/zinc/87/84/75/499878475.db2.gz JYDRVLUCCNMYIS-SFHVURJKSA-N 0 2 368.389 3.294 20 5 FGBDLN O=C([O-])c1cc(N2CCC(CCCn3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000573374912 506182545 /nfs/dbraw/zinc/18/25/45/506182545.db2.gz CQESGCQPETZGSE-UHFFFAOYSA-N 0 2 358.398 3.186 20 5 FGBDLN C[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C(=O)[O-] ZINC000424424123 500501597 /nfs/dbraw/zinc/50/15/97/500501597.db2.gz VXTZHZHPADIDPT-XHDPSFHLSA-N 0 2 361.423 3.403 20 5 FGBDLN C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C(=O)[O-] ZINC000424424123 500501599 /nfs/dbraw/zinc/50/15/99/500501599.db2.gz VXTZHZHPADIDPT-XHDPSFHLSA-N 0 2 361.423 3.403 20 5 FGBDLN O=C(N[C@H](CO)c1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])ccc1O ZINC000436932619 500573618 /nfs/dbraw/zinc/57/36/18/500573618.db2.gz OODDADCSHUUIHG-GFCCVEGCSA-N 0 2 371.176 3.071 20 5 FGBDLN COc1cc(SC)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442235154 500573703 /nfs/dbraw/zinc/57/37/03/500573703.db2.gz AIHAGKGDOJCNJK-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436952565 500577839 /nfs/dbraw/zinc/57/78/39/500577839.db2.gz XXGLWIFTCXYDDD-IAGOWNOFSA-N 0 2 360.341 3.090 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437325152 500630637 /nfs/dbraw/zinc/63/06/37/500630637.db2.gz RTQJWLOMIKLOEY-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000437399635 500640219 /nfs/dbraw/zinc/64/02/19/500640219.db2.gz YRKOIRBGXYACPD-OLZOCXBDSA-N 0 2 364.304 3.188 20 5 FGBDLN CCc1cccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000434968145 500916739 /nfs/dbraw/zinc/91/67/39/500916739.db2.gz RRIAVRGJTQBFCK-UHFFFAOYSA-N 0 2 372.406 3.348 20 5 FGBDLN CCc1cccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000434968145 500916742 /nfs/dbraw/zinc/91/67/42/500916742.db2.gz RRIAVRGJTQBFCK-UHFFFAOYSA-N 0 2 372.406 3.348 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000436662819 501182612 /nfs/dbraw/zinc/18/26/12/501182612.db2.gz DAMMQEXKVZDHAG-CQSZACIVSA-N 0 2 356.334 3.006 20 5 FGBDLN Cc1cc(C)n(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)n1 ZINC000436862152 501222993 /nfs/dbraw/zinc/22/29/93/501222993.db2.gz NAKWKDRONMZDBT-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnn(Cc2ccccc2)c1 ZINC000436897766 501229022 /nfs/dbraw/zinc/22/90/22/501229022.db2.gz CIFZBYBTUILLNG-CYBMUJFWSA-N 0 2 366.377 3.036 20 5 FGBDLN COc1ccc(C[C@@H]2CCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1 ZINC000456132828 501461434 /nfs/dbraw/zinc/46/14/34/501461434.db2.gz FKPZBXNXNCZQGZ-HNNXBMFYSA-N 0 2 370.405 3.404 20 5 FGBDLN CCc1nc(C)c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000481895693 501911493 /nfs/dbraw/zinc/91/14/93/501911493.db2.gz XOIBCHFXRSKEHF-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN Cc1cc(Cl)cnc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000461209262 502040044 /nfs/dbraw/zinc/04/00/44/502040044.db2.gz MMIFAXFMLXTYOK-UHFFFAOYSA-N 0 2 355.803 3.369 20 5 FGBDLN O=C(c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C1CCC1 ZINC000486086884 502041974 /nfs/dbraw/zinc/04/19/74/502041974.db2.gz DTRHYQWFUACJNA-UHFFFAOYSA-N 0 2 360.391 3.378 20 5 FGBDLN Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000479124541 502169349 /nfs/dbraw/zinc/16/93/49/502169349.db2.gz FFOQXEKYTKDNIH-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN C[C@](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])(C1CC1)C(F)(F)F ZINC000479159250 502179395 /nfs/dbraw/zinc/17/93/95/502179395.db2.gz RHASDUYFUMSJOY-NSHDSACASA-N 0 2 372.752 3.258 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000479230243 502199476 /nfs/dbraw/zinc/19/94/76/502199476.db2.gz DFNZIPXGORLDBV-UHFFFAOYSA-N 0 2 358.807 3.135 20 5 FGBDLN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000479281888 502214490 /nfs/dbraw/zinc/21/44/90/502214490.db2.gz FLXLCSKFMXYHCL-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479480543 502271913 /nfs/dbraw/zinc/27/19/13/502271913.db2.gz DJJJBAYDKOKQNF-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)c1C ZINC000475826172 502301716 /nfs/dbraw/zinc/30/17/16/502301716.db2.gz ADIADTWVOSBGAL-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000475835976 502305771 /nfs/dbraw/zinc/30/57/71/502305771.db2.gz NHKMVCOOBZUBEB-UHFFFAOYSA-N 0 2 353.356 3.144 20 5 FGBDLN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000480005566 502443941 /nfs/dbraw/zinc/44/39/41/502443941.db2.gz YUQDCEVFMINRHL-MAUKXSAKSA-N 0 2 356.378 3.259 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000476290860 502445124 /nfs/dbraw/zinc/44/51/24/502445124.db2.gz UWKKUAGZUCROPG-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000469516653 502448671 /nfs/dbraw/zinc/44/86/71/502448671.db2.gz FTHOKKKHVRYXDX-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000480203117 502501310 /nfs/dbraw/zinc/50/13/10/502501310.db2.gz YRPPZQKLCUWTIF-QMMMGPOBSA-N 0 2 358.445 3.241 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000480217304 502504830 /nfs/dbraw/zinc/50/48/30/502504830.db2.gz MCUDQNTYNNTYKO-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN CC(C)N(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500825725 502871379 /nfs/dbraw/zinc/87/13/79/502871379.db2.gz XSKJUZGWDICNSE-UHFFFAOYSA-N 0 2 367.402 3.379 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000513276115 502894216 /nfs/dbraw/zinc/89/42/16/502894216.db2.gz NMKSAMJYGSHPPH-NOZJJQNGSA-N 0 2 350.733 3.379 20 5 FGBDLN CC(C)COc1ccc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000510283311 503084943 /nfs/dbraw/zinc/08/49/43/503084943.db2.gz NXPKTQGSOQOOAT-UHFFFAOYSA-N 0 2 358.394 3.308 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000491609985 503324348 /nfs/dbraw/zinc/32/43/48/503324348.db2.gz MSHYPRPAIDMVBF-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cnn1CC(C)C ZINC000499268907 503369559 /nfs/dbraw/zinc/36/95/59/503369559.db2.gz UNNZWLYJECKHIA-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN O=C(Nc1ccc2nn[nH]c2c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000508022845 503415266 /nfs/dbraw/zinc/41/52/66/503415266.db2.gz LEPCOLWJNCMCLQ-UHFFFAOYSA-N 0 2 351.244 3.137 20 5 FGBDLN CC(C)n1c(CNC(=O)c2cccc(O)c2[N+](=O)[O-])nc2ccccc21 ZINC000540533364 503807456 /nfs/dbraw/zinc/80/74/56/503807456.db2.gz YJTICBRWKFABSL-UHFFFAOYSA-N 0 2 354.366 3.161 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000543647648 503840657 /nfs/dbraw/zinc/84/06/57/503840657.db2.gz DXRWPIGIBWTRGY-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000543655771 503842393 /nfs/dbraw/zinc/84/23/93/503842393.db2.gz BUPBQQFFFMTXIM-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCn1nc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1C1CC1 ZINC000543660760 503844396 /nfs/dbraw/zinc/84/43/96/503844396.db2.gz AUOXJJZSRRXTSL-UHFFFAOYSA-N 0 2 364.427 3.106 20 5 FGBDLN CCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000538330297 504208684 /nfs/dbraw/zinc/20/86/84/504208684.db2.gz CKLMWKLKZQMCTR-LSDHHAIUSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(NCCc1csc(-c2ccccc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000548092347 504326804 /nfs/dbraw/zinc/32/68/04/504326804.db2.gz ZNMOYFHNFRSINU-UHFFFAOYSA-N 0 2 369.402 3.396 20 5 FGBDLN O=C(NCCSc1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000538878656 504403112 /nfs/dbraw/zinc/40/31/12/504403112.db2.gz HHFRZEUKXKCULT-UHFFFAOYSA-N 0 2 352.799 3.476 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000539111577 504476947 /nfs/dbraw/zinc/47/69/47/504476947.db2.gz TWHJIRFCUIYJKK-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN CCOc1cccc2c1OCC(C(=O)Nc1cc([N+](=O)[O-])ccc1O)=C2 ZINC000536197765 504663600 /nfs/dbraw/zinc/66/36/00/504663600.db2.gz MHAOQGYPNPGIED-UHFFFAOYSA-N 0 2 356.334 3.114 20 5 FGBDLN COc1cc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)[nH]c2cc1OC ZINC000536209827 504666869 /nfs/dbraw/zinc/66/68/69/504666869.db2.gz MJWDMPVNEPKPQC-UHFFFAOYSA-N 0 2 357.322 3.051 20 5 FGBDLN CC(C)(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(F)(F)F ZINC000539764446 504678040 /nfs/dbraw/zinc/67/80/40/504678040.db2.gz OSADSXWULJAMKZ-ZETCQYMHSA-N 0 2 360.379 3.302 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000536418872 504727479 /nfs/dbraw/zinc/72/74/79/504727479.db2.gz FIBSDHCXISJNEL-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000557011925 505043500 /nfs/dbraw/zinc/04/35/00/505043500.db2.gz PMKRTTMQMTZPCA-ZDUSSCGKSA-N 0 2 366.377 3.089 20 5 FGBDLN CC1(C)C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC000560587419 505134780 /nfs/dbraw/zinc/13/47/80/505134780.db2.gz BGSIZKYCIJYGJU-AWEZNQCLSA-N 0 2 360.341 3.472 20 5 FGBDLN COCc1nnc([C@@H]2CCCCN2Cc2c(Cl)cccc2[N+](=O)[O-])[nH]1 ZINC000566707440 505249480 /nfs/dbraw/zinc/24/94/80/505249480.db2.gz SFWNMBBCNJEAFY-AWEZNQCLSA-N 0 2 365.821 3.240 20 5 FGBDLN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552116058 505405796 /nfs/dbraw/zinc/40/57/96/505405796.db2.gz HKRBNSACEFEMPB-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000552159396 505417677 /nfs/dbraw/zinc/41/76/77/505417677.db2.gz LKDNEBREDUCYEK-ZDUSSCGKSA-N 0 2 354.284 3.376 20 5 FGBDLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000567869108 505569241 /nfs/dbraw/zinc/56/92/41/505569241.db2.gz HYQXDIHMDYLDLO-UHFFFAOYSA-N 0 2 364.427 3.177 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000599714083 506599563 /nfs/dbraw/zinc/59/95/63/506599563.db2.gz QXWSWMRBHMWNBQ-VIFPVBQESA-N 0 2 370.287 3.032 20 5 FGBDLN CCOC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC000612530807 506611621 /nfs/dbraw/zinc/61/16/21/506611621.db2.gz HUMSITSWYPOIIC-UHFFFAOYSA-N 0 2 364.741 3.383 20 5 FGBDLN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000597603167 507025064 /nfs/dbraw/zinc/02/50/64/507025064.db2.gz ADEUTMPYIDYJFW-QCPWZWHMSA-N 0 2 362.426 3.092 20 5 FGBDLN COCCN(Cc1ccc(C)cc1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613883944 507290132 /nfs/dbraw/zinc/29/01/32/507290132.db2.gz SXVGVXGJWWIZNY-UHFFFAOYSA-N 0 2 358.394 3.206 20 5 FGBDLN COc1cccc([C@@]2(C)CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000598223181 507326307 /nfs/dbraw/zinc/32/63/07/507326307.db2.gz AFWKWUNUDKFHLL-IBGZPJMESA-N 0 2 356.378 3.113 20 5 FGBDLN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598223032 507326386 /nfs/dbraw/zinc/32/63/86/507326386.db2.gz GPYBDLSRGAAZNX-QGZVFWFLSA-N 0 2 374.368 3.432 20 5 FGBDLN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586803156 507678349 /nfs/dbraw/zinc/67/83/49/507678349.db2.gz VOOKGQWCJNSTHW-GQCTYLIASA-N 0 2 358.335 3.168 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)cs1 ZINC000120060166 700647129 /nfs/dbraw/zinc/64/71/29/700647129.db2.gz VFAAVGKPRQPQPN-UHFFFAOYSA-N 0 2 367.380 3.167 20 5 FGBDLN CSc1c(F)cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000120307620 700652616 /nfs/dbraw/zinc/65/26/16/700652616.db2.gz UJZUEBFBSBFKOT-UHFFFAOYSA-N 0 2 366.392 3.457 20 5 FGBDLN CN(Cc1ccc(Br)s1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184600185 712673363 /nfs/dbraw/zinc/67/33/63/712673363.db2.gz IRCIQJUFDOHWHN-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000523416949 714233275 /nfs/dbraw/zinc/23/32/75/714233275.db2.gz KALSJOCBSAADQR-ZDUSSCGKSA-N 0 2 374.340 3.442 20 5 FGBDLN Cc1cc2c(cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OCO2 ZINC000781115801 724529676 /nfs/dbraw/zinc/52/96/76/724529676.db2.gz UONZPQDZLACEDI-UHFFFAOYSA-N 0 2 370.770 3.086 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N(C)C)c(C)c2)cc1C ZINC000731782868 722478060 /nfs/dbraw/zinc/47/80/60/722478060.db2.gz OUUVFDSBCGICLQ-UHFFFAOYSA-N 0 2 363.439 3.387 20 5 FGBDLN O=C1NC(=Cc2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1cccc(Cl)c1 ZINC000789999649 723093216 /nfs/dbraw/zinc/09/32/16/723093216.db2.gz ITPALINUNOQSAB-WUXMJOGZSA-N 0 2 359.725 3.051 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N(C)C)c(C)c2)c1C ZINC000764524159 723421589 /nfs/dbraw/zinc/42/15/89/723421589.db2.gz MZBNMYBMPVKNRU-UHFFFAOYSA-N 0 2 363.439 3.387 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000776199234 724117749 /nfs/dbraw/zinc/11/77/49/724117749.db2.gz AZTPQFKGYCNNLQ-UHFFFAOYSA-N 0 2 364.741 3.367 20 5 FGBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NC2(C(F)F)CCCC2)cc1Cl ZINC000809846528 725272944 /nfs/dbraw/zinc/27/29/44/725272944.db2.gz IVCRXSQYTUAKQT-UHFFFAOYSA-N 0 2 372.752 3.244 20 5 FGBDLN O=C(Cc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000021027674 220349536 /nfs/dbraw/zinc/34/95/36/220349536.db2.gz ATRZYJQPKINCSJ-UHFFFAOYSA-N 0 2 351.156 3.244 20 5 FGBDLN CCOC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(F)cc1C ZINC000573708208 505601400 /nfs/dbraw/zinc/60/14/00/505601400.db2.gz KJDCIGZURVRRBR-UHFFFAOYSA-N 0 2 362.313 3.177 20 5 FGBDLN O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077231910 494037539 /nfs/dbraw/zinc/03/75/39/494037539.db2.gz TUNCWQXUZYQVTJ-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000065127650 494174950 /nfs/dbraw/zinc/17/49/50/494174950.db2.gz YZKVYCKYZPWCPK-LLVKDONJSA-N 0 2 357.366 3.081 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000053945621 494176845 /nfs/dbraw/zinc/17/68/45/494176845.db2.gz KMMPKESOFQLZAI-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000024429467 494628667 /nfs/dbraw/zinc/62/86/67/494628667.db2.gz DJMPAAUZYZNCKK-UHFFFAOYSA-N 0 2 362.285 3.294 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1C ZINC000126286771 494696918 /nfs/dbraw/zinc/69/69/18/494696918.db2.gz LVDGCDBXRQINLU-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(C)cc3cccnc32)c([N+](=O)[O-])c1 ZINC000132811776 494927797 /nfs/dbraw/zinc/92/77/97/494927797.db2.gz UWKRNFHOOQGGHV-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000093929363 494936444 /nfs/dbraw/zinc/93/64/44/494936444.db2.gz PSXWBHYTJPRXLP-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CCSCc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000123716503 495175519 /nfs/dbraw/zinc/17/55/19/495175519.db2.gz CLSWAXBGYMNVMS-UHFFFAOYSA-N 0 2 367.452 3.352 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCc2c(OC(F)F)cccc21 ZINC000580487879 505769485 /nfs/dbraw/zinc/76/94/85/505769485.db2.gz RFFALXFJISMUMT-UHFFFAOYSA-N 0 2 364.304 3.495 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(Cl)c1 ZINC000120055639 495297451 /nfs/dbraw/zinc/29/74/51/495297451.db2.gz DQXZXTUOMHLYMG-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000106008766 495402457 /nfs/dbraw/zinc/40/24/57/495402457.db2.gz XNCFWVKACWAUDS-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c1C ZINC000130649224 495424335 /nfs/dbraw/zinc/42/43/35/495424335.db2.gz HISBKTXFQWGWMS-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=C(N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000185584032 495633355 /nfs/dbraw/zinc/63/33/55/495633355.db2.gz KCDNEXRMWWSGKO-GUYCJALGSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nn1-c1ccc(C)cc1 ZINC000182637140 495645366 /nfs/dbraw/zinc/64/53/66/495645366.db2.gz AXBZDFBWODKKOY-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CO[C@@H](C)c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000171013540 495688531 /nfs/dbraw/zinc/68/85/31/495688531.db2.gz ADRVQOTVWGVNKZ-LBPRGKRZSA-N 0 2 350.396 3.411 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000171261819 495793341 /nfs/dbraw/zinc/79/33/41/495793341.db2.gz QBIWZASPLVPNOU-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 ZINC000159876670 495830591 /nfs/dbraw/zinc/83/05/91/495830591.db2.gz WXFREWHMOOPBGS-JTQLQIEISA-N 0 2 368.415 3.031 20 5 FGBDLN Cn1ccnc1Sc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000183354735 495945219 /nfs/dbraw/zinc/94/52/19/495945219.db2.gz PTISPACKLFZHQN-UHFFFAOYSA-N 0 2 370.390 3.437 20 5 FGBDLN CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000183461446 495994270 /nfs/dbraw/zinc/99/42/70/495994270.db2.gz OGXOBCMKFHGVII-UHFFFAOYSA-N 0 2 367.365 3.461 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N(C)C)cc2C)c1C ZINC000152228487 496086481 /nfs/dbraw/zinc/08/64/81/496086481.db2.gz BEDVASQKVGSQBY-UHFFFAOYSA-N 0 2 363.439 3.387 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000180766678 496137382 /nfs/dbraw/zinc/13/73/82/496137382.db2.gz AOLMBRKWUAAWMY-UHFFFAOYSA-N 0 2 366.333 3.480 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)cc1C ZINC000153581628 496505550 /nfs/dbraw/zinc/50/55/50/496505550.db2.gz CMLWMRHUNPYRPT-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2ccc(Br)cc21 ZINC000184776696 496527448 /nfs/dbraw/zinc/52/74/48/496527448.db2.gz VNCXKWPKNIMTPM-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000184779182 496528995 /nfs/dbraw/zinc/52/89/95/496528995.db2.gz ISFUPFVJMCWOFZ-UHFFFAOYSA-N 0 2 369.381 3.050 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000157708876 496535093 /nfs/dbraw/zinc/53/50/93/496535093.db2.gz IAKPUJOWJROOSK-INIZCTEOSA-N 0 2 374.368 3.261 20 5 FGBDLN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164435901 496611554 /nfs/dbraw/zinc/61/15/54/496611554.db2.gz FDESYTQRPGTDJA-UHFFFAOYSA-N 0 2 369.377 3.065 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000182084963 496664090 /nfs/dbraw/zinc/66/40/90/496664090.db2.gz INCTYBWXFMKFNP-LLVKDONJSA-N 0 2 360.391 3.240 20 5 FGBDLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000194868243 496741925 /nfs/dbraw/zinc/74/19/25/496741925.db2.gz NRQSODXEHKFNGX-UHFFFAOYSA-N 0 2 374.806 3.021 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000191799320 496892724 /nfs/dbraw/zinc/89/27/24/496892724.db2.gz KJVWDZUNAIMECG-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000191901917 496925296 /nfs/dbraw/zinc/92/52/96/496925296.db2.gz GZRLLCBCCNGKOA-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000192735874 497199101 /nfs/dbraw/zinc/19/91/01/497199101.db2.gz WSORUEUVRCGZEY-UHFFFAOYSA-N 0 2 353.425 3.039 20 5 FGBDLN CN(C)c1ncc(Br)c(/C=C/c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000572306171 505937900 /nfs/dbraw/zinc/93/79/00/505937900.db2.gz RIXJBMNJGVTMCA-HWKANZROSA-N 0 2 365.187 3.089 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccccc3F)sc2c1 ZINC000320260109 498806491 /nfs/dbraw/zinc/80/64/91/498806491.db2.gz RJLGYMQKYYLKJL-UHFFFAOYSA-N 0 2 353.356 3.144 20 5 FGBDLN C[C@@H](C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000321655424 498813599 /nfs/dbraw/zinc/81/35/99/498813599.db2.gz SEZJTNOMICKHAC-JTQLQIEISA-N 0 2 353.783 3.293 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ncsc2C(C)C)cc([N+](=O)[O-])c1F ZINC000288256063 498978757 /nfs/dbraw/zinc/97/87/57/498978757.db2.gz PHIWHGFPNNDRGP-UHFFFAOYSA-N 0 2 359.404 3.423 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000367741827 499229864 /nfs/dbraw/zinc/22/98/64/499229864.db2.gz SIPSAXFFSZUSAB-NSHDSACASA-N 0 2 353.334 3.446 20 5 FGBDLN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000367754862 499231082 /nfs/dbraw/zinc/23/10/82/499231082.db2.gz XWRPEFPNBZBURQ-UWWQBHOKSA-N 0 2 370.405 3.382 20 5 FGBDLN Cc1ccccc1NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000369588632 499422984 /nfs/dbraw/zinc/42/29/84/499422984.db2.gz PMFQWIWPBXLOFD-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN CC(=O)N1C[C@@H](CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc21 ZINC000373359015 499465338 /nfs/dbraw/zinc/46/53/38/499465338.db2.gz FIIGTRFWIJYDEK-CYBMUJFWSA-N 0 2 369.377 3.169 20 5 FGBDLN Cc1ccccc1COC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000378608893 499537204 /nfs/dbraw/zinc/53/72/04/499537204.db2.gz RWPLMCVNUXVLTK-UHFFFAOYSA-N 0 2 370.405 3.430 20 5 FGBDLN Cc1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1[N+](=O)[O-] ZINC000377959301 499751202 /nfs/dbraw/zinc/75/12/02/499751202.db2.gz QQRSHRLNDPIWBK-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)n(C(C)C)n1 ZINC000421169875 499982112 /nfs/dbraw/zinc/98/21/12/499982112.db2.gz CFXBHLNEJSFHSD-UHFFFAOYSA-N 0 2 352.416 3.044 20 5 FGBDLN O=C(NCc1sccc1Br)c1cc([N+](=O)[O-])ccc1O ZINC000436961801 500579939 /nfs/dbraw/zinc/57/99/39/500579939.db2.gz CPHINAUGYPXYQS-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000436968773 500582385 /nfs/dbraw/zinc/58/23/85/500582385.db2.gz VKEXFOBCTKQMDU-IRXDYDNUSA-N 0 2 360.341 3.090 20 5 FGBDLN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436980049 500585029 /nfs/dbraw/zinc/58/50/29/500585029.db2.gz MBMPBPRTUAGHFN-WMZOPIPTSA-N 0 2 356.378 3.259 20 5 FGBDLN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000443555439 500737841 /nfs/dbraw/zinc/73/78/41/500737841.db2.gz BEBFPPZHULLCFU-UHFFFAOYSA-N 0 2 358.228 3.157 20 5 FGBDLN Cc1nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1-c1ccccc1 ZINC000444326327 500834903 /nfs/dbraw/zinc/83/49/03/500834903.db2.gz BTNOCTVAVPKYTH-UHFFFAOYSA-N 0 2 352.350 3.111 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1O ZINC000445201817 500953523 /nfs/dbraw/zinc/95/35/23/500953523.db2.gz BDFLCBLSJSGFSQ-UHFFFAOYSA-N 0 2 353.338 3.013 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Cn3cccn3)no2)cc1O ZINC000445205498 500954271 /nfs/dbraw/zinc/95/42/71/500954271.db2.gz VFFCVHHVSREMMP-UHFFFAOYSA-N 0 2 363.333 3.262 20 5 FGBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1 ZINC000436478668 501134312 /nfs/dbraw/zinc/13/43/12/501134312.db2.gz NNTIROSFLLNFOT-UHFFFAOYSA-N 0 2 362.285 3.120 20 5 FGBDLN COC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(Cl)c1F ZINC000436591042 501164652 /nfs/dbraw/zinc/16/46/52/501164652.db2.gz PBRQFINPDXEGLL-UHFFFAOYSA-N 0 2 368.704 3.132 20 5 FGBDLN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H](OCC)C1(C)C ZINC000436668709 501183410 /nfs/dbraw/zinc/18/34/10/501183410.db2.gz DZBIXHQLPFIZES-HOTGVXAUSA-N 0 2 350.415 3.356 20 5 FGBDLN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000436784605 501210586 /nfs/dbraw/zinc/21/05/86/501210586.db2.gz MFLLTIJCWDBQOK-CQSZACIVSA-N 0 2 350.758 3.071 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(OC(F)F)cc1 ZINC000436864435 501223331 /nfs/dbraw/zinc/22/33/31/501223331.db2.gz ZDSMAEGUKLGACZ-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000450987758 501237078 /nfs/dbraw/zinc/23/70/78/501237078.db2.gz YBJOITRPMFDYNW-INIZCTEOSA-N 0 2 350.396 3.033 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C2CC2)c(C)o1 ZINC000451054837 501242271 /nfs/dbraw/zinc/24/22/71/501242271.db2.gz MCBIYTZGIFVAGE-UHFFFAOYSA-N 0 2 351.384 3.132 20 5 FGBDLN Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602665362 506251288 /nfs/dbraw/zinc/25/12/88/506251288.db2.gz HPNIKMNRGAPOJO-GFCCVEGCSA-N 0 2 354.332 3.337 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592829376 506269786 /nfs/dbraw/zinc/26/97/86/506269786.db2.gz ZKRYAGRAYBBOCG-GOSISDBHSA-N 0 2 370.405 3.104 20 5 FGBDLN CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000463511089 501747298 /nfs/dbraw/zinc/74/72/98/501747298.db2.gz FCJQLJULMAUUAO-UHFFFAOYSA-N 0 2 374.827 3.477 20 5 FGBDLN COc1ccc(CNc2nc(Cc3ccccc3)ns2)cc1[N+](=O)[O-] ZINC000461223779 502045087 /nfs/dbraw/zinc/04/50/87/502045087.db2.gz YSABCTTUXXKNEQ-UHFFFAOYSA-N 0 2 356.407 3.080 20 5 FGBDLN Cc1ccc(-c2ncc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])s2)cc1 ZINC000486101926 502047453 /nfs/dbraw/zinc/04/74/53/502047453.db2.gz HCSJOCVIYGVMIT-SREVYHEPSA-N 0 2 356.363 3.398 20 5 FGBDLN O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)Nc1ccc(Cl)cc1 ZINC000479000206 502137683 /nfs/dbraw/zinc/13/76/83/502137683.db2.gz PHPRLNAKWATZHF-UHFFFAOYSA-N 0 2 374.740 3.185 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(C)(C)O3)c([N+](=O)[O-])c1 ZINC000468873269 502214402 /nfs/dbraw/zinc/21/44/02/502214402.db2.gz HSNRRDMWIBJHKH-UHFFFAOYSA-N 0 2 362.407 3.418 20 5 FGBDLN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469523104 502450886 /nfs/dbraw/zinc/45/08/86/502450886.db2.gz DEBMHQMOOQNQNU-UHFFFAOYSA-N 0 2 355.350 3.070 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000480228191 502506858 /nfs/dbraw/zinc/50/68/58/502506858.db2.gz QQJXIMRZZCNLCA-NSHDSACASA-N 0 2 366.443 3.488 20 5 FGBDLN CCOc1ccc(Cl)cc1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469885368 502584873 /nfs/dbraw/zinc/58/48/73/502584873.db2.gz SKZTVUZUOKWWPS-UHFFFAOYSA-N 0 2 364.785 3.325 20 5 FGBDLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000466632119 502627916 /nfs/dbraw/zinc/62/79/16/502627916.db2.gz GCNGZADOIWHOAH-UHFFFAOYSA-N 0 2 360.329 3.472 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)cc1[N+](=O)[O-] ZINC000466966325 502740712 /nfs/dbraw/zinc/74/07/12/502740712.db2.gz SGGCIWAFCRNRNR-UHFFFAOYSA-N 0 2 351.409 3.257 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2n[nH]c3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000493032763 503402087 /nfs/dbraw/zinc/40/20/87/503402087.db2.gz LJNDIWKGYJKPEE-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN CC(C)(C)c1ccc(OCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000508176241 503446000 /nfs/dbraw/zinc/44/60/00/503446000.db2.gz YNIASIPDMMPVAG-UHFFFAOYSA-N 0 2 358.394 3.407 20 5 FGBDLN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503945137 503495520 /nfs/dbraw/zinc/49/55/20/503495520.db2.gz MBQJUAFLDFVIDU-ZBFHGGJFSA-N 0 2 362.769 3.214 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cncnc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000494569800 503566429 /nfs/dbraw/zinc/56/64/29/503566429.db2.gz KIUOEFFINGDXJG-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CCCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000504543116 503586343 /nfs/dbraw/zinc/58/63/43/503586343.db2.gz XTYWJZGLFKTKPE-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537774660 504036771 /nfs/dbraw/zinc/03/67/71/504036771.db2.gz QBVNDLCWZIUFDN-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534248699 504084208 /nfs/dbraw/zinc/08/42/08/504084208.db2.gz BEKQJWPEQGHZHA-UHFFFAOYSA-N 0 2 365.374 3.269 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000519202050 504163924 /nfs/dbraw/zinc/16/39/24/504163924.db2.gz UZNHAGYBOVZQIM-UHFFFAOYSA-N 0 2 365.411 3.140 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1C ZINC000538296754 504194584 /nfs/dbraw/zinc/19/45/84/504194584.db2.gz PMWGMMKPDLORKL-NSHDSACASA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000541785377 504253690 /nfs/dbraw/zinc/25/36/90/504253690.db2.gz NXJCTJJVZVNMJH-UHFFFAOYSA-N 0 2 367.452 3.348 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000539469609 504582333 /nfs/dbraw/zinc/58/23/33/504582333.db2.gz REFOHELXFDGEGR-CZUORRHYSA-N 0 2 362.769 3.214 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000542740408 504592905 /nfs/dbraw/zinc/59/29/05/504592905.db2.gz JKKJFJCMAUYQOW-WMLDXEAASA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000536199390 504664000 /nfs/dbraw/zinc/66/40/00/504664000.db2.gz WPSLXAJHEOBENR-HNNXBMFYSA-N 0 2 369.299 3.132 20 5 FGBDLN O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000550153594 504978513 /nfs/dbraw/zinc/97/85/13/504978513.db2.gz USABKFGCBAPEKV-AWEZNQCLSA-N 0 2 373.416 3.232 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000561365149 505327286 /nfs/dbraw/zinc/32/72/86/505327286.db2.gz NFTJHIJRICKEAZ-UHFFFAOYSA-N 0 2 353.425 3.121 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000599714412 506599590 /nfs/dbraw/zinc/59/95/90/506599590.db2.gz VJMPLRXZWYQJIB-UHFFFAOYSA-N 0 2 370.287 3.104 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCn2c(cc3ccccc32)C1 ZINC000583136431 506610356 /nfs/dbraw/zinc/61/03/56/506610356.db2.gz XBGAPXMPJUBQRZ-UHFFFAOYSA-N 0 2 351.362 3.301 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593888823 506820791 /nfs/dbraw/zinc/82/07/91/506820791.db2.gz AVOCZZDQTXFIAT-SZMVWBNQSA-N 0 2 368.389 3.435 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(-c2ccccc2)n1 ZINC000604470767 506840569 /nfs/dbraw/zinc/84/05/69/506840569.db2.gz INLMUXSEQDDGDY-UHFFFAOYSA-N 0 2 372.406 3.144 20 5 FGBDLN CC1(c2nc(=NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)s[nH]2)CC1 ZINC000600227076 506859698 /nfs/dbraw/zinc/85/96/98/506859698.db2.gz ILKXFGAKVFGEDT-UHFFFAOYSA-N 0 2 372.328 3.191 20 5 FGBDLN CCOc1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590598168 506873804 /nfs/dbraw/zinc/87/38/04/506873804.db2.gz JXXIUOJLACHSDI-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1[N+](=O)[O-] ZINC000609812894 507012021 /nfs/dbraw/zinc/01/20/21/507012021.db2.gz NAZINXIGYUIOMF-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000597603169 507025289 /nfs/dbraw/zinc/02/52/89/507025289.db2.gz ADEUTMPYIDYJFW-UOJCXKCYSA-N 0 2 362.426 3.092 20 5 FGBDLN COc1cccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000600661203 507052652 /nfs/dbraw/zinc/05/26/52/507052652.db2.gz SNGXCXGQCVXVTP-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCc2ccccc21 ZINC000600793890 507125571 /nfs/dbraw/zinc/12/55/71/507125571.db2.gz PTNZHJFSIFLXMO-GUYCJALGSA-N 0 2 370.405 3.465 20 5 FGBDLN CCc1ccc([C@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCO2)cc1 ZINC000584187988 507201220 /nfs/dbraw/zinc/20/12/20/507201220.db2.gz CMZGTBMUDMUVCD-GOSISDBHSA-N 0 2 356.378 3.077 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000584551476 507406019 /nfs/dbraw/zinc/40/60/19/507406019.db2.gz IMDMUIBQWWUQOP-UHFFFAOYSA-N 0 2 372.406 3.105 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3ccc(O)cc32)cs1 ZINC000120293388 700652295 /nfs/dbraw/zinc/65/22/95/700652295.db2.gz UGNPVHPGPINQED-UHFFFAOYSA-N 0 2 350.377 3.316 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000619466366 714839749 /nfs/dbraw/zinc/83/97/49/714839749.db2.gz VGQVHSNXJNKZLJ-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cncc3ccccc32)c1F ZINC000759109957 722999656 /nfs/dbraw/zinc/99/96/56/722999656.db2.gz ZOEMKPBUGRGXQR-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1C ZINC000790418556 723138072 /nfs/dbraw/zinc/13/80/72/723138072.db2.gz VNLCXYARXHRIMX-JTQLQIEISA-N 0 2 370.406 3.319 20 5 FGBDLN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc([N+](=O)[O-])cc1O ZINC000772068056 723750144 /nfs/dbraw/zinc/75/01/44/723750144.db2.gz IXHWSXFBTFNAOM-UHFFFAOYSA-N 0 2 356.363 3.027 20 5 FGBDLN CC(C)(c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1cc(Br)ccc1F ZINC000842499781 730509321 /nfs/dbraw/zinc/50/93/21/730509321.db2.gz SHPYPUWFVQADOL-LDYMZIIASA-N 0 2 370.178 3.430 20 5 FGBDLN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000265507862 257372907 /nfs/dbraw/zinc/37/29/07/257372907.db2.gz FKJGKPPNFPVAOR-UHFFFAOYSA-N 0 2 372.377 3.358 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000577126367 505669458 /nfs/dbraw/zinc/66/94/58/505669458.db2.gz PVPHVWRSMMLFRT-UHFFFAOYSA-N 0 2 370.390 3.186 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccc(C)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057722060 493791364 /nfs/dbraw/zinc/79/13/64/493791364.db2.gz LZXYBISKIUKDLJ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070877937 494064471 /nfs/dbraw/zinc/06/44/71/494064471.db2.gz UXJDLVVQFXPMPQ-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN CC(C)OC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000012882490 494266755 /nfs/dbraw/zinc/26/67/55/494266755.db2.gz PXLJOTHHAQJUTI-HNNXBMFYSA-N 0 2 372.377 3.113 20 5 FGBDLN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089540853 494321554 /nfs/dbraw/zinc/32/15/54/494321554.db2.gz IPEFGEYHBYTCAJ-IINYFYTJSA-N 0 2 355.350 3.147 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1F ZINC000089540799 494321578 /nfs/dbraw/zinc/32/15/78/494321578.db2.gz KQYHNMJXLZAMPG-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2ccc(C)nc21 ZINC000066587577 494360241 /nfs/dbraw/zinc/36/02/41/494360241.db2.gz PHBMYTOQGSSLSF-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000055638338 494378521 /nfs/dbraw/zinc/37/85/21/494378521.db2.gz FZEQYYUSVSAKPO-UHFFFAOYSA-N 0 2 362.285 3.136 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000055644392 494380526 /nfs/dbraw/zinc/38/05/26/494380526.db2.gz UDXHWJFATIQKMY-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000108454611 494710835 /nfs/dbraw/zinc/71/08/35/494710835.db2.gz HXGINESIHXUKIV-GOSISDBHSA-N 0 2 374.368 3.025 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1OC(F)F ZINC000025299555 494718387 /nfs/dbraw/zinc/71/83/87/494718387.db2.gz XUBBEAQJTNWOOE-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000047521708 494727276 /nfs/dbraw/zinc/72/72/76/494727276.db2.gz DOBMNWSFBCBEKP-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2COC)s1 ZINC000093930894 494936278 /nfs/dbraw/zinc/93/62/78/494936278.db2.gz JPLMAWLZTMGGFO-UHFFFAOYSA-N 0 2 356.425 3.166 20 5 FGBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000132879865 494937261 /nfs/dbraw/zinc/93/72/61/494937261.db2.gz BKIPRZVFNLFELZ-UHFFFAOYSA-N 0 2 354.771 3.079 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3)c(Cl)c1 ZINC000132902565 494940475 /nfs/dbraw/zinc/94/04/75/494940475.db2.gz YVJVNCPCPIBQJX-UHFFFAOYSA-N 0 2 354.771 3.079 20 5 FGBDLN O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119229809 495122311 /nfs/dbraw/zinc/12/23/11/495122311.db2.gz YKWHLVOBIPPIJZ-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000179392368 495572717 /nfs/dbraw/zinc/57/27/17/495572717.db2.gz KGDDCZVHULWDHX-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179510588 495621427 /nfs/dbraw/zinc/62/14/27/495621427.db2.gz YBBDBXRDMILDQU-ZDUSSCGKSA-N 0 2 372.352 3.175 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000176591859 495711731 /nfs/dbraw/zinc/71/17/31/495711731.db2.gz NWHHECJQIMUKSB-UHFFFAOYSA-N 0 2 370.456 3.288 20 5 FGBDLN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2nn[nH]c2c1 ZINC000176735895 495767256 /nfs/dbraw/zinc/76/72/56/495767256.db2.gz HCVVLJYJRJWSDA-UHFFFAOYSA-N 0 2 369.384 3.065 20 5 FGBDLN CCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1F ZINC000151439578 495841160 /nfs/dbraw/zinc/84/11/60/495841160.db2.gz ODMBMTALVGDMRB-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000171403498 495857595 /nfs/dbraw/zinc/85/75/95/495857595.db2.gz GGVQIGORIYFBGY-OAHLLOKOSA-N 0 2 372.768 3.226 20 5 FGBDLN C[C@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000184302096 496326471 /nfs/dbraw/zinc/32/64/71/496326471.db2.gz BSFQPCDXHHKWMP-VIFPVBQESA-N 0 2 373.319 3.400 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sc1C ZINC000178120367 496337460 /nfs/dbraw/zinc/33/74/60/496337460.db2.gz YXYMVTZYJXAOHN-UHFFFAOYSA-N 0 2 355.441 3.340 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000184687397 496493534 /nfs/dbraw/zinc/49/35/34/496493534.db2.gz IHMAIDSAUPCCHP-LJQANCHMSA-N 0 2 363.373 3.347 20 5 FGBDLN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000184878549 496568839 /nfs/dbraw/zinc/56/88/39/496568839.db2.gz WHIDDZRHRMILRI-CYBMUJFWSA-N 0 2 361.423 3.469 20 5 FGBDLN O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166197762 496679317 /nfs/dbraw/zinc/67/93/17/496679317.db2.gz AHIUXDGIBFIQTE-UHFFFAOYSA-N 0 2 356.256 3.380 20 5 FGBDLN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000182155172 496690247 /nfs/dbraw/zinc/69/02/47/496690247.db2.gz ITUFHKURONIFLW-CXAGYDPISA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(C)c1O ZINC000189255978 497059887 /nfs/dbraw/zinc/05/98/87/497059887.db2.gz QZJLGCFFIUERPS-UHFFFAOYSA-N 0 2 350.396 3.335 20 5 FGBDLN O=C(NCCc1ccc(Br)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000227880494 497092382 /nfs/dbraw/zinc/09/23/82/497092382.db2.gz TWSVDMXQUDBYGD-UHFFFAOYSA-N 0 2 371.212 3.097 20 5 FGBDLN CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CCO2)cc1 ZINC000190881888 497631760 /nfs/dbraw/zinc/63/17/60/497631760.db2.gz WBCQDVVRTIDGJS-SFHVURJKSA-N 0 2 356.378 3.077 20 5 FGBDLN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194741274 497756547 /nfs/dbraw/zinc/75/65/47/497756547.db2.gz YATGWLFYTDANJD-UHFFFAOYSA-N 0 2 355.394 3.173 20 5 FGBDLN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000280755657 497885302 /nfs/dbraw/zinc/88/53/02/497885302.db2.gz ANQIACLOHDKNGI-UHFFFAOYSA-N 0 2 369.377 3.065 20 5 FGBDLN Cn1cnc(-c2ccc(F)cc2)c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000364930319 498215882 /nfs/dbraw/zinc/21/58/82/498215882.db2.gz GFBZFDRTAXQQGD-UHFFFAOYSA-N 0 2 356.313 3.092 20 5 FGBDLN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000282977517 498732322 /nfs/dbraw/zinc/73/23/22/498732322.db2.gz IYWHCTDBUVLEBQ-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000326573038 498845420 /nfs/dbraw/zinc/84/54/20/498845420.db2.gz WZQWKLPDOOSCTF-MRVPVSSYSA-N 0 2 360.313 3.052 20 5 FGBDLN CCOCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000298960793 498926850 /nfs/dbraw/zinc/92/68/50/498926850.db2.gz LZJUUZSLWAXUPT-UHFFFAOYSA-N 0 2 360.366 3.106 20 5 FGBDLN Cc1ccccc1NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367152222 499154821 /nfs/dbraw/zinc/15/48/21/499154821.db2.gz SISMHRABAYJUNQ-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000368457151 499297883 /nfs/dbraw/zinc/29/78/83/499297883.db2.gz GZZTUTJLOCVCSH-UHFFFAOYSA-N 0 2 366.377 3.197 20 5 FGBDLN Cc1ccc(N2CCC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000368608768 499312987 /nfs/dbraw/zinc/31/29/87/499312987.db2.gz RPXAWINATRPSGP-AWEZNQCLSA-N 0 2 355.394 3.008 20 5 FGBDLN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000373587025 499478353 /nfs/dbraw/zinc/47/83/53/499478353.db2.gz VIVAXCOHPBSGAT-UHFFFAOYSA-N 0 2 372.312 3.061 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1F ZINC000410407955 499660697 /nfs/dbraw/zinc/66/06/97/499660697.db2.gz PQPLEYICBIITHP-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000410406003 499660747 /nfs/dbraw/zinc/66/07/47/499660747.db2.gz RZMLCWADZIGFAR-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)c([N+](=O)[O-])c1 ZINC000421255361 500003568 /nfs/dbraw/zinc/00/35/68/500003568.db2.gz FSELOQKWUIWLNI-UHFFFAOYSA-N 0 2 367.452 3.384 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)ccc1F ZINC000430082724 500189710 /nfs/dbraw/zinc/18/97/10/500189710.db2.gz SLCOKHWOJOYZIN-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C(=O)[O-] ZINC000424424121 500501828 /nfs/dbraw/zinc/50/18/28/500501828.db2.gz VXTZHZHPADIDPT-IAQYHMDHSA-N 0 2 361.423 3.403 20 5 FGBDLN C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C(=O)[O-] ZINC000424424121 500501829 /nfs/dbraw/zinc/50/18/29/500501829.db2.gz VXTZHZHPADIDPT-IAQYHMDHSA-N 0 2 361.423 3.403 20 5 FGBDLN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000436968771 500582413 /nfs/dbraw/zinc/58/24/13/500582413.db2.gz VKEXFOBCTKQMDU-DLBZAZTESA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436982598 500586213 /nfs/dbraw/zinc/58/62/13/500586213.db2.gz VIPCTXNIKQFXHW-CXAGYDPISA-N 0 2 360.341 3.090 20 5 FGBDLN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(CC)CC ZINC000436988025 500587165 /nfs/dbraw/zinc/58/71/65/500587165.db2.gz KKTWXKXDGMYWLN-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(Nc1ccc(OC(F)(F)F)cc1O)c1ccc([N+](=O)[O-])cc1O ZINC000442920998 500647482 /nfs/dbraw/zinc/64/74/82/500647482.db2.gz IMFWCTYTSYYILT-UHFFFAOYSA-N 0 2 358.228 3.157 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000443152911 500688916 /nfs/dbraw/zinc/68/89/16/500688916.db2.gz CJEGQRBTRAIEAC-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1 ZINC000434958395 500915729 /nfs/dbraw/zinc/91/57/29/500915729.db2.gz FIECKZONTWQNBW-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1[nH+]c2cc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2n1C1CC1 ZINC000436515441 501145345 /nfs/dbraw/zinc/14/53/45/501145345.db2.gz RHXGCTQQWCKYDY-UHFFFAOYSA-N 0 2 366.377 3.223 20 5 FGBDLN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436672153 501183754 /nfs/dbraw/zinc/18/37/54/501183754.db2.gz CVZHDLKDKYQKAA-GFCCVEGCSA-N 0 2 371.393 3.215 20 5 FGBDLN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000446978267 501189444 /nfs/dbraw/zinc/18/94/44/501189444.db2.gz BJZGJNWUMOFEHH-UHFFFAOYSA-N 0 2 374.303 3.231 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000436712189 501194041 /nfs/dbraw/zinc/19/40/41/501194041.db2.gz MWGUMFGAZYKYNC-CQSZACIVSA-N 0 2 362.769 3.247 20 5 FGBDLN O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436912153 501231573 /nfs/dbraw/zinc/23/15/73/501231573.db2.gz WKBCSDIPAOUWGL-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc1 ZINC000470573105 501731488 /nfs/dbraw/zinc/73/14/88/501731488.db2.gz GWDAIVUUIGJOPA-UHFFFAOYSA-N 0 2 364.427 3.242 20 5 FGBDLN COC(=O)c1cnc(Nc2cn(CC(C)C)nc2C(F)F)c([N+](=O)[O-])c1 ZINC000477730645 501771700 /nfs/dbraw/zinc/77/17/00/501771700.db2.gz GZZPDNUWCDZGNG-UHFFFAOYSA-N 0 2 369.328 3.310 20 5 FGBDLN Cc1nn(C)c2cc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc12 ZINC000461341651 502076422 /nfs/dbraw/zinc/07/64/22/502076422.db2.gz GGYACFXBOGUEOE-UHFFFAOYSA-N 0 2 374.422 3.208 20 5 FGBDLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000486554790 502187924 /nfs/dbraw/zinc/18/79/24/502187924.db2.gz FAPFPZCHWRIBHK-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2cccc(Cl)c2OC)ccc1[N+](=O)[O-] ZINC000468916935 502229370 /nfs/dbraw/zinc/22/93/70/502229370.db2.gz JVMVORQHAAXJQD-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CC[C@](C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000462313410 502389259 /nfs/dbraw/zinc/38/92/59/502389259.db2.gz MJFAXEVWLSLUHA-AWEZNQCLSA-N 0 2 373.431 3.103 20 5 FGBDLN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469445743 502421450 /nfs/dbraw/zinc/42/14/50/502421450.db2.gz GJFUNFUKPHWIHV-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469622913 502484078 /nfs/dbraw/zinc/48/40/78/502484078.db2.gz SMCJROQPMBUHAD-UHFFFAOYSA-N 0 2 371.393 3.247 20 5 FGBDLN CCc1ccc(O)c(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000480210776 502503226 /nfs/dbraw/zinc/50/32/26/502503226.db2.gz USNGWLXBQKYNNW-UHFFFAOYSA-N 0 2 350.396 3.280 20 5 FGBDLN CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000495373844 502830897 /nfs/dbraw/zinc/83/08/97/502830897.db2.gz JJPKARPURHBGSY-NSHDSACASA-N 0 2 354.366 3.161 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1C ZINC000513812496 503028086 /nfs/dbraw/zinc/02/80/86/503028086.db2.gz LYYMJQFWUTYRDR-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000506995616 503208816 /nfs/dbraw/zinc/20/88/16/503208816.db2.gz VAFNGJIVMPKNKZ-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN CCCOc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000507021907 503214533 /nfs/dbraw/zinc/21/45/33/503214533.db2.gz PFWQIQMWXDEICV-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN COCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511114190 503258823 /nfs/dbraw/zinc/25/88/23/503258823.db2.gz HHCVBDDELJCNMO-UHFFFAOYSA-N 0 2 356.787 3.195 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000507633383 503335960 /nfs/dbraw/zinc/33/59/60/503335960.db2.gz DJEOVKFCMAGHSL-UHFFFAOYSA-N 0 2 352.343 3.046 20 5 FGBDLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C(C)C ZINC000499262120 503368869 /nfs/dbraw/zinc/36/88/69/503368869.db2.gz GWQRBBZGASIJNJ-UHFFFAOYSA-N 0 2 366.443 3.372 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(COc2ccccc2)CC1 ZINC000512319754 503519121 /nfs/dbraw/zinc/51/91/21/503519121.db2.gz MLCGMYUFLVNSNR-UHFFFAOYSA-N 0 2 356.378 3.232 20 5 FGBDLN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000512749609 503624951 /nfs/dbraw/zinc/62/49/51/503624951.db2.gz PPGBZAVOZQOVKI-QFYYESIMSA-N 0 2 364.785 3.460 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000537232350 503850773 /nfs/dbraw/zinc/85/07/73/503850773.db2.gz ZCKIYBDLWWWGCK-ZDUSSCGKSA-N 0 2 372.352 3.175 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cccc(CC)c2)c([N+](=O)[O-])c1 ZINC000537395529 503899706 /nfs/dbraw/zinc/89/97/06/503899706.db2.gz WSWXQTYMHATSFV-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000518203651 503927612 /nfs/dbraw/zinc/92/76/12/503927612.db2.gz ZQGJCURGOLTSCL-UHFFFAOYSA-N 0 2 358.394 3.407 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000544621642 504193703 /nfs/dbraw/zinc/19/37/03/504193703.db2.gz DDVZHLBLOOZXAE-UHFFFAOYSA-N 0 2 352.416 3.078 20 5 FGBDLN COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1OC(F)F ZINC000534804193 504246271 /nfs/dbraw/zinc/24/62/71/504246271.db2.gz SXQBRQCVJKJJPP-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000538755446 504358163 /nfs/dbraw/zinc/35/81/63/504358163.db2.gz VTZPZEKPXJZRER-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc(Oc2ccccc2)cn1 ZINC000539101376 504473415 /nfs/dbraw/zinc/47/34/15/504473415.db2.gz CBMWHDQCJUBISO-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN O=C(NCCSCc1ccccc1F)c1cccc(O)c1[N+](=O)[O-] ZINC000536131330 504642049 /nfs/dbraw/zinc/64/20/49/504642049.db2.gz IYLZNESYXIQYEJ-UHFFFAOYSA-N 0 2 350.371 3.103 20 5 FGBDLN CNC(=O)[C@@H]1CCCc2sc(/C=C/c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000559193100 504799566 /nfs/dbraw/zinc/79/95/66/504799566.db2.gz FTUMTBRGBTUGAN-LXSSAFMLSA-N 0 2 359.407 3.093 20 5 FGBDLN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000553384078 504900007 /nfs/dbraw/zinc/90/00/07/504900007.db2.gz WZPFMEHTTYAOHC-IDHHARJASA-N 0 2 370.405 3.382 20 5 FGBDLN Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000553467673 504922372 /nfs/dbraw/zinc/92/23/72/504922372.db2.gz DAILFYSCVIATOH-MRXNPFEDSA-N 0 2 370.340 3.367 20 5 FGBDLN Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nc1C(C)C ZINC000566490913 505188748 /nfs/dbraw/zinc/18/87/48/505188748.db2.gz LORRGIIBFIITHW-UHFFFAOYSA-N 0 2 359.404 3.423 20 5 FGBDLN O=C(NCC(F)(F)c1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557681720 505202001 /nfs/dbraw/zinc/20/20/01/505202001.db2.gz ZBERHVWJNPVWKC-UHFFFAOYSA-N 0 2 356.712 3.476 20 5 FGBDLN COc1cc2c(cc1Cl)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000564046560 505310383 /nfs/dbraw/zinc/31/03/83/505310383.db2.gz SLZIZVMSRUQUSS-UHFFFAOYSA-N 0 2 362.769 3.161 20 5 FGBDLN Cc1ccc(-c2nc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])co2)cc1 ZINC000561315148 505312432 /nfs/dbraw/zinc/31/24/32/505312432.db2.gz MVEDLIBPYLYYJE-UHFFFAOYSA-N 0 2 353.334 3.194 20 5 FGBDLN O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552169284 505420293 /nfs/dbraw/zinc/42/02/93/505420293.db2.gz OSDULNFKHPDWMX-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000583040728 506555249 /nfs/dbraw/zinc/55/52/49/506555249.db2.gz DFVUGVMSGUNXCK-QGZVFWFLSA-N 0 2 366.295 3.290 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000603982932 506680346 /nfs/dbraw/zinc/68/03/46/506680346.db2.gz VTNFAWQURPQTCD-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000608926885 506744459 /nfs/dbraw/zinc/74/44/59/506744459.db2.gz LKNOQACMTZBTGY-UHFFFAOYSA-N 0 2 367.452 3.293 20 5 FGBDLN CSc1ccc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1[N+](=O)[O-] ZINC000609023572 506763678 /nfs/dbraw/zinc/76/36/78/506763678.db2.gz LQTIBGDVEDTDJF-UHFFFAOYSA-N 0 2 352.441 3.140 20 5 FGBDLN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000590556916 506859167 /nfs/dbraw/zinc/85/91/67/506859167.db2.gz SJNDYVQKULPOHM-UHFFFAOYSA-N 0 2 366.362 3.242 20 5 FGBDLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598187 506873341 /nfs/dbraw/zinc/87/33/41/506873341.db2.gz LWAXGAMFDZNGPF-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN CC(=O)c1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000590597447 506874371 /nfs/dbraw/zinc/87/43/71/506874371.db2.gz ANZFLKNUCMRWCD-UHFFFAOYSA-N 0 2 352.343 3.046 20 5 FGBDLN CCCOc1cncc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000600668038 507055266 /nfs/dbraw/zinc/05/52/66/507055266.db2.gz POWVZOQTPDNOEV-UHFFFAOYSA-N 0 2 365.411 3.196 20 5 FGBDLN CCCOc1cncc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000600670437 507056868 /nfs/dbraw/zinc/05/68/68/507056868.db2.gz UOXNUMPLHQTANO-UHFFFAOYSA-N 0 2 365.411 3.196 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnc2ccsc2c1 ZINC000610338069 507199371 /nfs/dbraw/zinc/19/93/71/507199371.db2.gz XZWONDDCEBBOBG-UHFFFAOYSA-N 0 2 366.362 3.242 20 5 FGBDLN CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611289770 507606532 /nfs/dbraw/zinc/60/65/32/507606532.db2.gz FCAUMEHJPHXSQI-CQSZACIVSA-N 0 2 355.394 3.171 20 5 FGBDLN O=C(CNc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294688 507609120 /nfs/dbraw/zinc/60/91/20/507609120.db2.gz UHPQKAUDYZBOBR-UHFFFAOYSA-N 0 2 355.272 3.370 20 5 FGBDLN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000739720410 600329088 /nfs/dbraw/zinc/32/90/88/600329088.db2.gz XKZQXSQWQMYWQO-UHFFFAOYSA-N 0 2 368.311 3.489 20 5 FGBDLN O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000739720410 600329091 /nfs/dbraw/zinc/32/90/91/600329091.db2.gz XKZQXSQWQMYWQO-UHFFFAOYSA-N 0 2 368.311 3.489 20 5 FGBDLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000829026952 604652791 /nfs/dbraw/zinc/65/27/91/604652791.db2.gz LDABVHDRFUJZLQ-INIZCTEOSA-N 0 2 371.393 3.071 20 5 FGBDLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000829026952 604652793 /nfs/dbraw/zinc/65/27/93/604652793.db2.gz LDABVHDRFUJZLQ-INIZCTEOSA-N 0 2 371.393 3.071 20 5 FGBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000130825071 700806808 /nfs/dbraw/zinc/80/68/08/700806808.db2.gz XFXZPCOTYZWVAA-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1C ZINC000152372976 704961034 /nfs/dbraw/zinc/96/10/34/704961034.db2.gz BOZGPFHZOZCRPK-UHFFFAOYSA-N 0 2 355.803 3.369 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cccnc2OC(C)C)cc([N+](=O)[O-])c1F ZINC000154292776 705029506 /nfs/dbraw/zinc/02/95/06/705029506.db2.gz NJRUTMWFYWELLI-UHFFFAOYSA-N 0 2 369.374 3.025 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000172890093 705434065 /nfs/dbraw/zinc/43/40/65/705434065.db2.gz WTBSNTGTBGDHEQ-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000176640746 705582146 /nfs/dbraw/zinc/58/21/46/705582146.db2.gz URVQTSFNCRURAD-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2ncsc2c1 ZINC000194156276 713512229 /nfs/dbraw/zinc/51/22/29/713512229.db2.gz AYWQTAZNWUSAHB-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc([C@H](C)OC)c1 ZINC000619467200 714839617 /nfs/dbraw/zinc/83/96/17/714839617.db2.gz SVFBAUACGARZJW-NSHDSACASA-N 0 2 366.395 3.112 20 5 FGBDLN COc1cc(C)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1C ZINC000782486272 724674799 /nfs/dbraw/zinc/67/47/99/724674799.db2.gz UHAIAOVRJYMYLM-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN O=C1OC(c2c(F)cccc2Cl)=N/C1=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000730466997 722468672 /nfs/dbraw/zinc/46/86/72/722468672.db2.gz VFURURWXJZGBGL-IZZDOVSWSA-N 0 2 362.700 3.437 20 5 FGBDLN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC000753824251 722914834 /nfs/dbraw/zinc/91/48/34/722914834.db2.gz IAMFVJUDNHDHRB-AWEZNQCLSA-N 0 2 371.176 3.071 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(Br)cc1O ZINC000753977380 722921293 /nfs/dbraw/zinc/92/12/93/722921293.db2.gz VJQXULOBFGYZJA-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN COc1c(C)ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C ZINC000760339712 723049948 /nfs/dbraw/zinc/04/99/48/723049948.db2.gz UWIDZTPUCNZSTQ-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795381352 723586957 /nfs/dbraw/zinc/58/69/57/723586957.db2.gz POMGQFGHSGPHEG-VIFPVBQESA-N 0 2 372.349 3.036 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)cs1 ZINC000768889076 723671209 /nfs/dbraw/zinc/67/12/09/723671209.db2.gz NTPWCGFOMLCTFH-UHFFFAOYSA-N 0 2 351.365 3.112 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000798247122 723917933 /nfs/dbraw/zinc/91/79/33/723917933.db2.gz PHILIDQGWXBRNG-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC(C)N(C)c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000799187057 723996760 /nfs/dbraw/zinc/99/67/60/723996760.db2.gz LKGBNZMVODJYQZ-UHFFFAOYSA-N 0 2 355.441 3.302 20 5 FGBDLN C[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C(=O)[O-])C1 ZINC000902016699 743699033 /nfs/dbraw/zinc/69/90/33/743699033.db2.gz LWSASHKVGZXKAN-XHDPSFHLSA-N 0 2 361.423 3.403 20 5 FGBDLN C[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C(=O)[O-])C1 ZINC000902016699 743699036 /nfs/dbraw/zinc/69/90/36/743699036.db2.gz LWSASHKVGZXKAN-XHDPSFHLSA-N 0 2 361.423 3.403 20 5 FGBDLN Cc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOCC1 ZINC000065766567 494234719 /nfs/dbraw/zinc/23/47/19/494234719.db2.gz FKRBBIJRXCLWQS-UHFFFAOYSA-N 0 2 370.405 3.087 20 5 FGBDLN CN(CCOc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073068102 494316822 /nfs/dbraw/zinc/31/68/22/494316822.db2.gz NJKNQGYLXUOXQU-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN CC(C)COc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078544048 494317315 /nfs/dbraw/zinc/31/73/15/494317315.db2.gz WPYOSIMOKCRPKQ-UHFFFAOYSA-N 0 2 350.396 3.430 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000089530978 494321771 /nfs/dbraw/zinc/32/17/71/494321771.db2.gz IXHWDXFGJQFIBV-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000055558742 494361341 /nfs/dbraw/zinc/36/13/41/494361341.db2.gz ZGXVXCCXZRGBHF-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C)c1 ZINC000055663360 494385195 /nfs/dbraw/zinc/38/51/95/494385195.db2.gz KQAMRPWLIBDATL-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-c2ncco2)c1 ZINC000132799896 494926679 /nfs/dbraw/zinc/92/66/79/494926679.db2.gz BOGQAKXHWCNXDK-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1)c1ccoc1 ZINC000133190225 494982299 /nfs/dbraw/zinc/98/22/99/494982299.db2.gz CNJAKSHEWJWLLI-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000128338124 495081910 /nfs/dbraw/zinc/08/19/10/495081910.db2.gz LYGKQHPBWADPQO-LBPRGKRZSA-N 0 2 371.393 3.215 20 5 FGBDLN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000101959153 495111393 /nfs/dbraw/zinc/11/13/93/495111393.db2.gz HJYVLDYAKFDRTQ-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN COCCn1ccc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000119701329 495221643 /nfs/dbraw/zinc/22/16/43/495221643.db2.gz IXYUUCSXGHOATH-UHFFFAOYSA-N 0 2 355.350 3.154 20 5 FGBDLN O=C(CCCc1nc(-c2cccs2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124929339 495365404 /nfs/dbraw/zinc/36/54/04/495365404.db2.gz FBYLDCLTVLUWLJ-UHFFFAOYSA-N 0 2 374.378 3.373 20 5 FGBDLN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124952601 495369348 /nfs/dbraw/zinc/36/93/48/495369348.db2.gz PMBFGUJKGYWOPL-UHFFFAOYSA-N 0 2 368.349 3.312 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nccc(-c2ccco2)n1 ZINC000130624226 495420694 /nfs/dbraw/zinc/42/06/94/495420694.db2.gz CMFHTLVCGOHYPU-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)F)cc1 ZINC000130982920 495474629 /nfs/dbraw/zinc/47/46/29/495474629.db2.gz XADSKAIMNHXRMT-UHFFFAOYSA-N 0 2 358.322 3.040 20 5 FGBDLN Cc1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000121063833 495516060 /nfs/dbraw/zinc/51/60/60/495516060.db2.gz ZZGWXDUXGJXLFP-UHFFFAOYSA-N 0 2 367.770 3.499 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(C)c1 ZINC000170708205 495575831 /nfs/dbraw/zinc/57/58/31/495575831.db2.gz VTTHSHGIFCJFQJ-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000150750778 495621825 /nfs/dbraw/zinc/62/18/25/495621825.db2.gz RQSBIMVGQXETDA-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000179514449 495623382 /nfs/dbraw/zinc/62/33/82/495623382.db2.gz LOABMTBVJCWQLY-UHFFFAOYSA-N 0 2 355.394 3.326 20 5 FGBDLN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185705017 495688623 /nfs/dbraw/zinc/68/86/23/495688623.db2.gz CBACXINQFSZFKP-UHFFFAOYSA-N 0 2 369.377 3.097 20 5 FGBDLN COc1ccc(Cl)cc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159246537 495692371 /nfs/dbraw/zinc/69/23/71/495692371.db2.gz DXMXMZXZEACSJH-UHFFFAOYSA-N 0 2 350.758 3.235 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)s1 ZINC000182790759 495703900 /nfs/dbraw/zinc/70/39/00/495703900.db2.gz XZYSPUPZZWNORL-JTQLQIEISA-N 0 2 358.363 3.056 20 5 FGBDLN COCc1ccccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000161892677 496256581 /nfs/dbraw/zinc/25/65/81/496256581.db2.gz STCXXKZZCBOFDG-UHFFFAOYSA-N 0 2 350.396 3.159 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175277259 496319594 /nfs/dbraw/zinc/31/95/94/496319594.db2.gz MWISNNXBCOMXBR-QGZVFWFLSA-N 0 2 370.405 3.164 20 5 FGBDLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[nH]n1 ZINC000162680700 496395625 /nfs/dbraw/zinc/39/56/25/496395625.db2.gz BFQLEUSOBRGGCZ-SNVBAGLBSA-N 0 2 368.415 3.031 20 5 FGBDLN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)c1ccco1 ZINC000184619173 496466869 /nfs/dbraw/zinc/46/68/69/496466869.db2.gz QSZZWRJTOBIVLB-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000184680948 496491439 /nfs/dbraw/zinc/49/14/39/496491439.db2.gz RHOVMUHZZGQYQR-MRXNPFEDSA-N 0 2 362.769 3.168 20 5 FGBDLN CC(=O)c1ccc(NCc2nnc(COc3ccccc3)[nH]2)c([N+](=O)[O-])c1 ZINC000184776690 496527890 /nfs/dbraw/zinc/52/78/90/496527890.db2.gz ZZHPZAQIXDVZLT-UHFFFAOYSA-N 0 2 367.365 3.107 20 5 FGBDLN O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164243648 496598094 /nfs/dbraw/zinc/59/80/94/496598094.db2.gz BZYDCSHSFARFSF-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN COc1cccc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000181945084 496607764 /nfs/dbraw/zinc/60/77/64/496607764.db2.gz NDIGMWYZXAAIOL-UHFFFAOYSA-N 0 2 356.378 3.329 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000182085158 496664297 /nfs/dbraw/zinc/66/42/97/496664297.db2.gz OAESQKODRXYDJP-ABAIWWIYSA-N 0 2 362.407 3.090 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]n1 ZINC000191778367 496885805 /nfs/dbraw/zinc/88/58/05/496885805.db2.gz DBWZHKLSNKSJHP-UHFFFAOYSA-N 0 2 352.416 3.078 20 5 FGBDLN COCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000191890685 496922005 /nfs/dbraw/zinc/92/20/05/496922005.db2.gz WBXIFHJRVNEOHQ-UHFFFAOYSA-N 0 2 370.814 3.238 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1[N+](=O)[O-] ZINC000189269484 497065510 /nfs/dbraw/zinc/06/55/10/497065510.db2.gz PLJHOWNEFYTGNG-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000189350093 497091269 /nfs/dbraw/zinc/09/12/69/497091269.db2.gz WZEOHUKGVJZVQA-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000281134989 498030933 /nfs/dbraw/zinc/03/09/33/498030933.db2.gz YTFQEEOPTHHDCL-ZDUSSCGKSA-N 0 2 355.394 3.392 20 5 FGBDLN C[C@H](C(=O)N=c1nc(-c2ccsc2)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000569655053 505984793 /nfs/dbraw/zinc/98/47/93/505984793.db2.gz ODYYEVBVBSRSDU-VIFPVBQESA-N 0 2 360.420 3.339 20 5 FGBDLN Cc1ccc(-c2noc([C@@H](NC(=O)C(F)(F)F)C(C)C)n2)cc1[N+](=O)[O-] ZINC000290245750 498480185 /nfs/dbraw/zinc/48/01/85/498480185.db2.gz ZBOOXQZJFFYUIK-NSHDSACASA-N 0 2 372.303 3.329 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000291926020 499104410 /nfs/dbraw/zinc/10/44/10/499104410.db2.gz RUIMUPOWLSBTIF-CQSZACIVSA-N 0 2 372.381 3.318 20 5 FGBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])c1nnc(-c2ccccc2)s1 ZINC000367639599 499220450 /nfs/dbraw/zinc/22/04/50/499220450.db2.gz VXTIJIRUCMHZEB-UHFFFAOYSA-N 0 2 356.363 3.096 20 5 FGBDLN COc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000371464073 499330447 /nfs/dbraw/zinc/33/04/47/499330447.db2.gz ODRCDIAVKLRGIY-UHFFFAOYSA-N 0 2 371.393 3.026 20 5 FGBDLN O=C([O-])Cc1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000576519665 506177807 /nfs/dbraw/zinc/17/78/07/506177807.db2.gz FKHDQVYLMFCHJU-UHFFFAOYSA-N 0 2 370.409 3.219 20 5 FGBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cccc(F)c3F)sc2c1 ZINC000430082961 500189790 /nfs/dbraw/zinc/18/97/90/500189790.db2.gz GKOVPZPRVRTTNT-UHFFFAOYSA-N 0 2 371.346 3.284 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000430623494 500263832 /nfs/dbraw/zinc/26/38/32/500263832.db2.gz GXLFPEDSSHYLHB-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c1C ZINC000427778328 500431575 /nfs/dbraw/zinc/43/15/75/500431575.db2.gz ILSZUVXXDQURCV-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnccc2-c2ccccc2)cc1 ZINC000432347589 500502150 /nfs/dbraw/zinc/50/21/50/500502150.db2.gz PCAJORGNCAGNDB-UHFFFAOYSA-N 0 2 355.375 3.458 20 5 FGBDLN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])cc1O ZINC000436930562 500573515 /nfs/dbraw/zinc/57/35/15/500573515.db2.gz YBZWAEOPUBWIPD-INIZCTEOSA-N 0 2 370.409 3.419 20 5 FGBDLN COc1ccc(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1 ZINC000436966216 500581449 /nfs/dbraw/zinc/58/14/49/500581449.db2.gz LNNCADUXTKKQQH-HNNXBMFYSA-N 0 2 370.405 3.404 20 5 FGBDLN CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1(C)C ZINC000436967225 500581509 /nfs/dbraw/zinc/58/15/09/500581509.db2.gz PTSVYCXIIBUTQM-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC(C)C ZINC000447272248 500583084 /nfs/dbraw/zinc/58/30/84/500583084.db2.gz BRBDAWSSLGAPSX-UHFFFAOYSA-N 0 2 350.396 3.491 20 5 FGBDLN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC000436979656 500585062 /nfs/dbraw/zinc/58/50/62/500585062.db2.gz KXKFINCSAKJZHC-HNNXBMFYSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437342021 500633639 /nfs/dbraw/zinc/63/36/39/500633639.db2.gz ZCUSCSRNWPETJL-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000434971504 500917443 /nfs/dbraw/zinc/91/74/43/500917443.db2.gz BDBBBXIYSYSYRY-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000434971301 500917473 /nfs/dbraw/zinc/91/74/73/500917473.db2.gz AIJPJUPBISFTMV-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN Cc1ccc(Br)cc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000439972123 500961430 /nfs/dbraw/zinc/96/14/30/500961430.db2.gz MMLIYNAUQDZIQO-UHFFFAOYSA-N 0 2 365.183 3.301 20 5 FGBDLN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000440309948 500995242 /nfs/dbraw/zinc/99/52/42/500995242.db2.gz CGVZVPMMJBINDI-SNVBAGLBSA-N 0 2 369.160 3.471 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2[nH]ccc2cc1C ZINC000436149134 501078139 /nfs/dbraw/zinc/07/81/39/501078139.db2.gz DCKJMDOGZFUDDS-UHFFFAOYSA-N 0 2 361.379 3.194 20 5 FGBDLN O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436493490 501138595 /nfs/dbraw/zinc/13/85/95/501138595.db2.gz PPYFYDBVTNGLTL-QZTJIDSGSA-N 0 2 372.377 3.235 20 5 FGBDLN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436496335 501139314 /nfs/dbraw/zinc/13/93/14/501139314.db2.gz PRJBZEHMXCNYCP-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN COc1ccc([C@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1F ZINC000436515084 501144918 /nfs/dbraw/zinc/14/49/18/501144918.db2.gz UKWVFBQMWCXRMH-HAQNSBGRSA-N 0 2 360.341 3.124 20 5 FGBDLN O=C(c1cc(F)c(O)c(F)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436524077 501147611 /nfs/dbraw/zinc/14/76/11/501147611.db2.gz YEDQSLQAWWPEJL-INIZCTEOSA-N 0 2 366.345 3.466 20 5 FGBDLN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(F)(F)F)cc1 ZINC000436625295 501172680 /nfs/dbraw/zinc/17/26/80/501172680.db2.gz DHKCRSBJNDTFSR-AWEZNQCLSA-N 0 2 370.283 3.342 20 5 FGBDLN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(F)cc(Br)c1O ZINC000436856947 501222465 /nfs/dbraw/zinc/22/24/65/501222465.db2.gz ZZOMKXOWDBQFGJ-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436865316 501224014 /nfs/dbraw/zinc/22/40/14/501224014.db2.gz RGYHAUVEQMCGKU-JTQLQIEISA-N 0 2 357.391 3.271 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(N2CCCC2)c1 ZINC000436870530 501224822 /nfs/dbraw/zinc/22/48/22/501224822.db2.gz MJQCSVRKXSILPZ-ZDUSSCGKSA-N 0 2 355.394 3.392 20 5 FGBDLN O=C(Nc1ccc(OCC2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436875090 501225563 /nfs/dbraw/zinc/22/55/63/501225563.db2.gz WCMMMBQEELROTK-UHFFFAOYSA-N 0 2 372.377 3.358 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(cn1)CCCC2 ZINC000461184131 502030381 /nfs/dbraw/zinc/03/03/81/502030381.db2.gz AXRWCSSZYMFVFE-UHFFFAOYSA-N 0 2 361.423 3.232 20 5 FGBDLN Cc1ccc([C@@H](C)NC(=O)C2=NN(c3ccccc3)CC2=O)cc1[N+](=O)[O-] ZINC000486573212 502194408 /nfs/dbraw/zinc/19/44/08/502194408.db2.gz HOHAXZDHGZDYEL-CYBMUJFWSA-N 0 2 366.377 3.286 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000468942820 502238465 /nfs/dbraw/zinc/23/84/65/502238465.db2.gz LYTLCFRSVKTYFB-UHFFFAOYSA-N 0 2 362.407 3.418 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnc(CC(C)C)nc2)c1 ZINC000475827748 502302282 /nfs/dbraw/zinc/30/22/82/502302282.db2.gz KERQROGAYIQSEW-UHFFFAOYSA-N 0 2 364.427 3.001 20 5 FGBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OC(F)F)c1 ZINC000476318525 502455196 /nfs/dbraw/zinc/45/51/96/502455196.db2.gz INMOFMNPTLZPCY-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN Cn1cc(Nc2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)cn1 ZINC000480041140 502455857 /nfs/dbraw/zinc/45/58/57/502455857.db2.gz WCONCQJCCJDNRQ-UHFFFAOYSA-N 0 2 353.338 3.030 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc2n[nH]cc21 ZINC000480228171 502506883 /nfs/dbraw/zinc/50/68/83/502506883.db2.gz SFGZOBMSSARAJY-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN CCc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000466478747 502582621 /nfs/dbraw/zinc/58/26/21/502582621.db2.gz JCCUUACUUPANFR-UHFFFAOYSA-N 0 2 372.406 3.144 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000466978664 502744945 /nfs/dbraw/zinc/74/49/45/502744945.db2.gz ZZXAJULQDSYLKE-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000509210366 502849727 /nfs/dbraw/zinc/84/97/27/502849727.db2.gz JUIJCZGYLQDFDJ-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN CO[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000513344262 502910081 /nfs/dbraw/zinc/91/00/81/502910081.db2.gz WRYJPRCKIAJMBU-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)[nH]nc1C ZINC000489903455 503060724 /nfs/dbraw/zinc/06/07/24/503060724.db2.gz FSCRSEXLOQXBJX-UHFFFAOYSA-N 0 2 360.439 3.424 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000493103575 503406889 /nfs/dbraw/zinc/40/68/89/503406889.db2.gz GLJOBIFDKFZRFT-UHFFFAOYSA-N 0 2 364.427 3.393 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C3CCCC3)[nH]n2)cc1[N+](=O)[O-] ZINC000493103575 503406892 /nfs/dbraw/zinc/40/68/92/503406892.db2.gz GLJOBIFDKFZRFT-UHFFFAOYSA-N 0 2 364.427 3.393 20 5 FGBDLN C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000508544481 503516938 /nfs/dbraw/zinc/51/69/38/503516938.db2.gz YFFXAJYQKOSNKX-JTQLQIEISA-N 0 2 357.391 3.271 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]nc1-c1ccccc1 ZINC000536892573 503751378 /nfs/dbraw/zinc/75/13/78/503751378.db2.gz GMZGHYWQBSFVFJ-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537286083 503869090 /nfs/dbraw/zinc/86/90/90/503869090.db2.gz DDMKKFRKAGPSGZ-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2OC(C)(C)C3)c([N+](=O)[O-])c1 ZINC000530434853 503963045 /nfs/dbraw/zinc/96/30/45/503963045.db2.gz YKESCWVAEYEPPS-UHFFFAOYSA-N 0 2 362.407 3.418 20 5 FGBDLN Cc1[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1C(=O)OC(C)C ZINC000534069258 504032563 /nfs/dbraw/zinc/03/25/63/504032563.db2.gz DUVKOIPFZNOAKV-UHFFFAOYSA-N 0 2 361.354 3.063 20 5 FGBDLN CC(C)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(F)F)n1 ZINC000534899776 504275187 /nfs/dbraw/zinc/27/51/87/504275187.db2.gz DOVYJXAYOKYEJB-UHFFFAOYSA-N 0 2 374.369 3.186 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000535653556 504495990 /nfs/dbraw/zinc/49/59/90/504495990.db2.gz AMZOQTKNCMAFAT-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000520431088 504497923 /nfs/dbraw/zinc/49/79/23/504497923.db2.gz ZHCZMMJFOBWUNR-IRXDYDNUSA-N 0 2 366.377 3.261 20 5 FGBDLN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000520431088 504497927 /nfs/dbraw/zinc/49/79/27/504497927.db2.gz ZHCZMMJFOBWUNR-IRXDYDNUSA-N 0 2 366.377 3.261 20 5 FGBDLN O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000520783336 504581379 /nfs/dbraw/zinc/58/13/79/504581379.db2.gz XJTFAGDOEVWLMR-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000539555841 504606136 /nfs/dbraw/zinc/60/61/36/504606136.db2.gz NCMSNOSXTNBUPP-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000539555748 504606443 /nfs/dbraw/zinc/60/64/43/504606443.db2.gz WISXEEBTRNBMDG-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN CCO[C@H](C)c1nc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000552255501 505442630 /nfs/dbraw/zinc/44/26/30/505442630.db2.gz JACWFJZZHFCTBO-SNVBAGLBSA-N 0 2 365.411 3.127 20 5 FGBDLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000593738664 506754902 /nfs/dbraw/zinc/75/49/02/506754902.db2.gz WFGREYKSDCCSQV-KZULUSFZSA-N 0 2 374.368 3.394 20 5 FGBDLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000593738664 506754908 /nfs/dbraw/zinc/75/49/08/506754908.db2.gz WFGREYKSDCCSQV-KZULUSFZSA-N 0 2 374.368 3.394 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000600178157 506824572 /nfs/dbraw/zinc/82/45/72/506824572.db2.gz GIDLZCPMEWEQJS-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000590597453 506873514 /nfs/dbraw/zinc/87/35/14/506873514.db2.gz AZRBDJHKXKTNCH-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN CC[C@H](C)Oc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000590777270 506948387 /nfs/dbraw/zinc/94/83/87/506948387.db2.gz FIALRNJEWRJYMK-BXKUYDPTSA-N 0 2 361.354 3.152 20 5 FGBDLN COc1cc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c(F)c1 ZINC000613263946 506998097 /nfs/dbraw/zinc/99/80/97/506998097.db2.gz FVOFCEXGMSIHFX-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN COc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])C2)cc1F ZINC000600776032 507115439 /nfs/dbraw/zinc/11/54/39/507115439.db2.gz KZCBJGJSVYPHDI-GFCCVEGCSA-N 0 2 360.341 3.078 20 5 FGBDLN COC[C@H](C)N(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000600794772 507125642 /nfs/dbraw/zinc/12/56/42/507125642.db2.gz XPFWYOKIMVYHRB-GUYCJALGSA-N 0 2 370.405 3.465 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cc(N4CCCCC4)ccn3)no2)cc1O ZINC000594533963 507175308 /nfs/dbraw/zinc/17/53/08/507175308.db2.gz XPHLKENULKOBEC-UHFFFAOYSA-N 0 2 367.365 3.403 20 5 FGBDLN Cc1[nH][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1-c1cccc(Cl)c1 ZINC000610354590 507209454 /nfs/dbraw/zinc/20/94/54/507209454.db2.gz OWXVKZMPNBQSPK-UHFFFAOYSA-N 0 2 372.768 3.327 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598734320 507573508 /nfs/dbraw/zinc/57/35/08/507573508.db2.gz KNILVZXMRPYOSO-UHFFFAOYSA-N 0 2 355.441 3.421 20 5 FGBDLN C[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000828302047 604272446 /nfs/dbraw/zinc/27/24/46/604272446.db2.gz CXOGCDZYFJNUNG-BONVTDFDSA-N 0 2 364.789 3.230 20 5 FGBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)c1 ZINC000040945857 695758879 /nfs/dbraw/zinc/75/88/79/695758879.db2.gz YGBGVVUUAUMPKB-UHFFFAOYSA-N 0 2 368.440 3.295 20 5 FGBDLN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1nc(=O)c2sccc2[nH]1 ZINC000131848773 700820639 /nfs/dbraw/zinc/82/06/39/700820639.db2.gz VLUXOWMLADNOHA-UHFFFAOYSA-N 0 2 364.814 3.178 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2ncsc2c1 ZINC000619466831 714839670 /nfs/dbraw/zinc/83/96/70/714839670.db2.gz WQCQXTQEFLYAGU-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000782463917 724671475 /nfs/dbraw/zinc/67/14/75/724671475.db2.gz XMUWUSJWWJLRSX-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN COc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000761908387 723194525 /nfs/dbraw/zinc/19/45/25/723194525.db2.gz WHHINUWAMVUGNN-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN O=C(Nc1ccc(N2CCSCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000791368614 723235422 /nfs/dbraw/zinc/23/54/22/723235422.db2.gz CCZMOWMYKGIWQO-UHFFFAOYSA-N 0 2 359.407 3.106 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C)cc1C ZINC000794614748 723535586 /nfs/dbraw/zinc/53/55/86/723535586.db2.gz ZOANWCJYOHSJAJ-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c([C@@H](C)O)c2)c1F ZINC000795387804 723587295 /nfs/dbraw/zinc/58/72/95/723587295.db2.gz MDKLBUOBICZQNF-SECBINFHSA-N 0 2 372.349 3.036 20 5 FGBDLN Cc1nc2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2s1 ZINC000768892438 723671438 /nfs/dbraw/zinc/67/14/38/723671438.db2.gz STQIRNZQUTYLQF-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN O=C(Nc1nc(-c2ccc(Br)s2)cs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841018773 730203912 /nfs/dbraw/zinc/20/39/12/730203912.db2.gz RGHCTUIIJSZUOS-IYSWYEEDSA-N 0 2 374.241 3.238 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2ccc(Cl)cc2Br)no1 ZINC000843030235 730571192 /nfs/dbraw/zinc/57/11/92/730571192.db2.gz XSZVOHFOJWZLRO-PSASIEDQSA-N 0 2 358.579 3.209 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000857222557 732113315 /nfs/dbraw/zinc/11/33/15/732113315.db2.gz AASNUZDRIVUUCX-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031330604 493939444 /nfs/dbraw/zinc/93/94/44/493939444.db2.gz ZXNDHFIKGWPVGP-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000031555858 493948513 /nfs/dbraw/zinc/94/85/13/493948513.db2.gz XQIQJVHVWFRBBN-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CCc1cccc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000021631771 494501343 /nfs/dbraw/zinc/50/13/43/494501343.db2.gz VIKJCQCBHXOREN-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)c(C)s1 ZINC000091053494 494519964 /nfs/dbraw/zinc/51/99/64/494519964.db2.gz LLKFZNGKWWEFEF-UHFFFAOYSA-N 0 2 356.425 3.220 20 5 FGBDLN C[S@@](=O)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Cl ZINC000115724655 494604317 /nfs/dbraw/zinc/60/43/17/494604317.db2.gz YEQFCVLTCSFSNM-DEOSSOPVSA-N 0 2 368.798 3.085 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(-c2cnco2)c1 ZINC000057119303 494644863 /nfs/dbraw/zinc/64/48/63/494644863.db2.gz SYHNSGBLMCJRHR-UHFFFAOYSA-N 0 2 363.326 3.190 20 5 FGBDLN COc1ccccc1CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000102483343 495138947 /nfs/dbraw/zinc/13/89/47/495138947.db2.gz AQQURGOKITUOBV-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN O=C(N[C@H](C[C@H]1CCOC1)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000119866236 495257909 /nfs/dbraw/zinc/25/79/09/495257909.db2.gz NXBISJMHKIVMEW-CZUORRHYSA-N 0 2 356.378 3.198 20 5 FGBDLN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000124915889 495363991 /nfs/dbraw/zinc/36/39/91/495363991.db2.gz OGEUIJQPNHFKST-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000136981912 495415124 /nfs/dbraw/zinc/41/51/24/495415124.db2.gz BZQPDHPYHMLQJM-CQSZACIVSA-N 0 2 356.378 3.159 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000125690320 495483613 /nfs/dbraw/zinc/48/36/13/495483613.db2.gz NHZBIQZEYIRXGS-UHFFFAOYSA-N 0 2 361.720 3.425 20 5 FGBDLN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000106922596 495512697 /nfs/dbraw/zinc/51/26/97/495512697.db2.gz TUNSUFWJNWEEAB-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000131275537 495515820 /nfs/dbraw/zinc/51/58/20/495515820.db2.gz SIMUYUYYVKNKSQ-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1cccnc1[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000115583737 495519963 /nfs/dbraw/zinc/51/99/63/495519963.db2.gz ZKYJIDMPYIIUII-AWEZNQCLSA-N 0 2 367.402 3.113 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000179514155 495623242 /nfs/dbraw/zinc/62/32/42/495623242.db2.gz CMCGUUJXCUPNEE-UHFFFAOYSA-N 0 2 368.349 3.116 20 5 FGBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](C)CO1 ZINC000179520195 495626240 /nfs/dbraw/zinc/62/62/40/495626240.db2.gz YSBPLTKFIWPVNV-ACJLOTCBSA-N 0 2 356.378 3.211 20 5 FGBDLN CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159306627 495706927 /nfs/dbraw/zinc/70/69/27/495706927.db2.gz MIMBLHYEVFGEGJ-UHFFFAOYSA-N 0 2 364.785 3.495 20 5 FGBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000180350096 495961799 /nfs/dbraw/zinc/96/17/99/495961799.db2.gz OWFSSCSAJBLIFJ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(Cc1csc(-c2cccnc2)n1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183902304 496154451 /nfs/dbraw/zinc/15/44/51/496154451.db2.gz DLKRUTOMPDUTQH-UHFFFAOYSA-N 0 2 356.363 3.000 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000177753161 496184241 /nfs/dbraw/zinc/18/42/41/496184241.db2.gz KOQAMMYQQOFEJO-UHFFFAOYSA-N 0 2 350.400 3.085 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000184650189 496479791 /nfs/dbraw/zinc/47/97/91/496479791.db2.gz IDHNZAHFRCZUPU-LBPRGKRZSA-N 0 2 367.361 3.461 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000187755083 496558393 /nfs/dbraw/zinc/55/83/93/496558393.db2.gz UGNVJMMWPUUBRO-NHYWBVRUSA-N 0 2 362.407 3.090 20 5 FGBDLN C[C@@H]1CN(c2ccccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000164286418 496602153 /nfs/dbraw/zinc/60/21/53/496602153.db2.gz YFLCAVCSULYGOO-BETUJISGSA-N 0 2 371.393 3.166 20 5 FGBDLN CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cs1 ZINC000182058239 496653670 /nfs/dbraw/zinc/65/36/70/496653670.db2.gz YUXXLBUIXYZYNR-JTQLQIEISA-N 0 2 365.411 3.127 20 5 FGBDLN COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC1 ZINC000185088134 496653852 /nfs/dbraw/zinc/65/38/52/496653852.db2.gz ZNYBQVMNPWYLMP-UHFFFAOYSA-N 0 2 356.378 3.161 20 5 FGBDLN O=C(CCc1ccc(OC(F)F)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182088720 496666061 /nfs/dbraw/zinc/66/60/61/496666061.db2.gz QOTAEZMJPWGHKV-UHFFFAOYSA-N 0 2 352.293 3.473 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000191795685 496891577 /nfs/dbraw/zinc/89/15/77/496891577.db2.gz HGXYITXZCSKNQP-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2ncccc2OC(F)F)cc1[N+](=O)[O-] ZINC000191902422 496925953 /nfs/dbraw/zinc/92/59/53/496925953.db2.gz DXZRKRDZRXSCJJ-UHFFFAOYSA-N 0 2 373.337 3.009 20 5 FGBDLN CCn1ncc2ccc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cc21 ZINC000189273514 497066208 /nfs/dbraw/zinc/06/62/08/497066208.db2.gz RESVZVHAMHATMI-UHFFFAOYSA-N 0 2 374.422 3.382 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1OC1CCOCC1 ZINC000265792891 497184058 /nfs/dbraw/zinc/18/40/58/497184058.db2.gz LPVNEYVLESYQNR-UHFFFAOYSA-N 0 2 372.377 3.419 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000192710499 497191868 /nfs/dbraw/zinc/19/18/68/497191868.db2.gz HVJAIWMGIKXRRL-UHFFFAOYSA-N 0 2 358.322 3.073 20 5 FGBDLN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000276525112 497593486 /nfs/dbraw/zinc/59/34/86/497593486.db2.gz CMSXXPMNRGMTCK-TZMCWYRMSA-N 0 2 358.350 3.060 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(C2CCCCC2)o1 ZINC000194784499 497769975 /nfs/dbraw/zinc/76/99/75/497769975.db2.gz ZZMDTKBEFJBFDP-UHFFFAOYSA-N 0 2 366.399 3.135 20 5 FGBDLN Cc1[nH+]c2ccccc2n1CCc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350752113 498133314 /nfs/dbraw/zinc/13/33/14/498133314.db2.gz FMOBTCZWRGLURH-UHFFFAOYSA-N 0 2 365.349 3.251 20 5 FGBDLN Cc1ccc(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000364974826 498234883 /nfs/dbraw/zinc/23/48/83/498234883.db2.gz CHJHPZQYMLTPMG-UHFFFAOYSA-N 0 2 368.389 3.344 20 5 FGBDLN Cc1sc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1C(C)C ZINC000581499870 506002595 /nfs/dbraw/zinc/00/25/95/506002595.db2.gz VKLLMCGQHNYMQI-UHFFFAOYSA-N 0 2 355.441 3.425 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000295232679 498950440 /nfs/dbraw/zinc/95/04/40/498950440.db2.gz SZHUHXLUQQYBEK-LBPRGKRZSA-N 0 2 366.370 3.039 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000291969247 499113261 /nfs/dbraw/zinc/11/32/61/499113261.db2.gz VZPXLFGVCOHMPY-CYBMUJFWSA-N 0 2 372.381 3.318 20 5 FGBDLN COc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000375370011 499511466 /nfs/dbraw/zinc/51/14/66/499511466.db2.gz NKXIBTLLCOZOLJ-UHFFFAOYSA-N 0 2 354.362 3.239 20 5 FGBDLN CC(C)C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000424957267 499976804 /nfs/dbraw/zinc/97/68/04/499976804.db2.gz SIXXXSGWSOSFEJ-LBPRGKRZSA-N 0 2 366.414 3.034 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421253742 500002737 /nfs/dbraw/zinc/00/27/37/500002737.db2.gz BTJYDTIVDBYLPC-UHFFFAOYSA-N 0 2 367.452 3.384 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000413953412 500106513 /nfs/dbraw/zinc/10/65/13/500106513.db2.gz JUEVCWGOBFGWKD-GOSISDBHSA-N 0 2 368.389 3.294 20 5 FGBDLN Cc1[nH+]cn(-c2ccc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])cc2)c1C ZINC000428579045 500529663 /nfs/dbraw/zinc/52/96/63/500529663.db2.gz FWTPXQNMIXINJP-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(C(F)(F)F)cs1 ZINC000428632570 500535357 /nfs/dbraw/zinc/53/53/57/500535357.db2.gz XYFWDQYZJAYONZ-ZCFIWIBFSA-N 0 2 361.301 3.267 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(-c2ccncc2)cs1 ZINC000436966641 500581491 /nfs/dbraw/zinc/58/14/91/500581491.db2.gz ODSVRTOVTKRDDW-JTQLQIEISA-N 0 2 370.390 3.310 20 5 FGBDLN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442356531 500583013 /nfs/dbraw/zinc/58/30/13/500583013.db2.gz XNRAEGBAFGEVLA-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436973896 500583720 /nfs/dbraw/zinc/58/37/20/500583720.db2.gz VGQDGBAGRUPBDA-FUHWJXTLSA-N 0 2 356.378 3.259 20 5 FGBDLN CC1(c2cc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])no2)CCCC1 ZINC000432967038 500599171 /nfs/dbraw/zinc/59/91/71/500599171.db2.gz WKKKHXWNDWCUCV-UHFFFAOYSA-N 0 2 365.411 3.356 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000437320708 500629804 /nfs/dbraw/zinc/62/98/04/500629804.db2.gz DWIKRFSQHBJUTJ-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN CCc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1F ZINC000443450358 500726605 /nfs/dbraw/zinc/72/66/05/500726605.db2.gz BCGGFJFLBQKAQH-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)n[nH]1 ZINC000434965951 500916717 /nfs/dbraw/zinc/91/67/17/500916717.db2.gz IJDFKKWYKIDLEO-UHFFFAOYSA-N 0 2 372.406 3.348 20 5 FGBDLN CCN(CC)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cn1 ZINC000445231389 500957773 /nfs/dbraw/zinc/95/77/73/500957773.db2.gz BUJGYSIBCILFKS-UHFFFAOYSA-N 0 2 355.354 3.259 20 5 FGBDLN Cc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000436639735 501176492 /nfs/dbraw/zinc/17/64/92/501176492.db2.gz MHUPRNOUFNOORB-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000436670986 501184439 /nfs/dbraw/zinc/18/44/39/501184439.db2.gz IKWHSQLMNOIJBM-UHFFFAOYSA-N 0 2 370.405 3.087 20 5 FGBDLN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436674968 501185158 /nfs/dbraw/zinc/18/51/58/501185158.db2.gz SGTZPRMJRMFYCS-MRXNPFEDSA-N 0 2 372.377 3.295 20 5 FGBDLN COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC000436823771 501216751 /nfs/dbraw/zinc/21/67/51/501216751.db2.gz XBPZQJCDMMEZSL-CQSZACIVSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436861970 501223027 /nfs/dbraw/zinc/22/30/27/501223027.db2.gz WTTBQUHKNDTFDF-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2OCCF)c1[N+](=O)[O-] ZINC000451080099 501243943 /nfs/dbraw/zinc/24/39/43/501243943.db2.gz IYEGDBDONIMZQI-UHFFFAOYSA-N 0 2 368.386 3.361 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)c1C ZINC000474418673 501829446 /nfs/dbraw/zinc/82/94/46/501829446.db2.gz WNXTYYWNIDXVJA-UHFFFAOYSA-N 0 2 364.427 3.393 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000478701969 502063168 /nfs/dbraw/zinc/06/31/68/502063168.db2.gz INBYTXDWELVAMA-UHFFFAOYSA-N 0 2 370.818 3.271 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000478703965 502063384 /nfs/dbraw/zinc/06/33/84/502063384.db2.gz YJHPWBOZZMRQLB-SNVBAGLBSA-N 0 2 364.427 3.316 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)cc1C ZINC000478710419 502065744 /nfs/dbraw/zinc/06/57/44/502065744.db2.gz MIQLAFKPPFTKNU-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479138663 502174214 /nfs/dbraw/zinc/17/42/14/502174214.db2.gz YISHIVHAYSNXJS-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000461869783 502219249 /nfs/dbraw/zinc/21/92/49/502219249.db2.gz VEJVPWVQXLRILX-HNNXBMFYSA-N 0 2 370.409 3.419 20 5 FGBDLN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000468916553 502227815 /nfs/dbraw/zinc/22/78/15/502227815.db2.gz MBORUKCSLYAEHN-UHFFFAOYSA-N 0 2 352.293 3.174 20 5 FGBDLN Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 ZINC000472420553 502347079 /nfs/dbraw/zinc/34/70/79/502347079.db2.gz DTMJTBLPJNMVAG-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=C(NCc1ccc(F)cc1C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000469519382 502449487 /nfs/dbraw/zinc/44/94/87/502449487.db2.gz RQJKJYVHOZUYCU-UHFFFAOYSA-N 0 2 358.247 3.388 20 5 FGBDLN Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000472947773 502480447 /nfs/dbraw/zinc/48/04/47/502480447.db2.gz CYBRAAGDMSRNNW-ZDUSSCGKSA-N 0 2 366.377 3.089 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000469710221 502511107 /nfs/dbraw/zinc/51/11/07/502511107.db2.gz OZXXCNKYKHGWPC-ZDUSSCGKSA-N 0 2 355.394 3.392 20 5 FGBDLN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000473087485 502516835 /nfs/dbraw/zinc/51/68/35/502516835.db2.gz SCNHUZSAMMAQFS-TZMCWYRMSA-N 0 2 358.350 3.060 20 5 FGBDLN Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592975218 506319459 /nfs/dbraw/zinc/31/94/59/506319459.db2.gz REHABAMMNNKBMJ-UHFFFAOYSA-N 0 2 358.398 3.021 20 5 FGBDLN Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1Br ZINC000470321602 502734948 /nfs/dbraw/zinc/73/49/48/502734948.db2.gz WDNIKCULCAGKTM-UHFFFAOYSA-N 0 2 365.183 3.301 20 5 FGBDLN O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000513276116 502894446 /nfs/dbraw/zinc/89/44/46/502894446.db2.gz NMKSAMJYGSHPPH-RNCFNFMXSA-N 0 2 350.733 3.379 20 5 FGBDLN O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000489555620 502985331 /nfs/dbraw/zinc/98/53/31/502985331.db2.gz XXBOMTOJQBGJHZ-ZDUSSCGKSA-N 0 2 358.247 3.473 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000509848217 502997614 /nfs/dbraw/zinc/99/76/14/502997614.db2.gz IJTUQLMOMFWPAA-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(COc1cccc(Cl)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490340378 503157333 /nfs/dbraw/zinc/15/73/33/503157333.db2.gz ASBWWHVPGVNYKT-UHFFFAOYSA-N 0 2 373.756 3.051 20 5 FGBDLN Cc1cccc(C)c1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490372212 503163943 /nfs/dbraw/zinc/16/39/43/503163943.db2.gz RDHUCFQVFXXSRL-UHFFFAOYSA-N 0 2 367.365 3.014 20 5 FGBDLN Cc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000490403482 503168902 /nfs/dbraw/zinc/16/89/02/503168902.db2.gz XQOHLZIABCEPGF-UHFFFAOYSA-N 0 2 367.365 3.014 20 5 FGBDLN COc1ccc(OC)c(CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)c1 ZINC000499355829 503386489 /nfs/dbraw/zinc/38/64/89/503386489.db2.gz AYAWPBNZKCPYEJ-UHFFFAOYSA-N 0 2 372.377 3.122 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccoc2)cc(Br)cc1[N+](=O)[O-] ZINC000507988402 503409542 /nfs/dbraw/zinc/40/95/42/503409542.db2.gz YZTHLDKDOHZQAL-UHFFFAOYSA-N 0 2 361.173 3.060 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000537194741 503835540 /nfs/dbraw/zinc/83/55/40/503835540.db2.gz FEKSSVPPBDJGCB-NSHDSACASA-N 0 2 366.443 3.434 20 5 FGBDLN COc1ccc(F)cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000544645196 504203011 /nfs/dbraw/zinc/20/30/11/504203011.db2.gz KPMKKCGIGBTDSP-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN COc1ccc(C(=O)CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000548190391 504364641 /nfs/dbraw/zinc/36/46/41/504364641.db2.gz QSOLIIYKFXIIQA-UHFFFAOYSA-N 0 2 362.313 3.050 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000538870449 504400217 /nfs/dbraw/zinc/40/02/17/504400217.db2.gz GVVVKJCHSAKIKG-SFHVURJKSA-N 0 2 372.377 3.176 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 ZINC000542732917 504590870 /nfs/dbraw/zinc/59/08/70/504590870.db2.gz VNQYWTPFTFWWAO-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN COc1ccc(COCCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000536197392 504663795 /nfs/dbraw/zinc/66/37/95/504663795.db2.gz LDGOCVHSDQTTMR-UHFFFAOYSA-N 0 2 360.366 3.245 20 5 FGBDLN CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2cc(F)ccc21 ZINC000521318215 504708047 /nfs/dbraw/zinc/70/80/47/504708047.db2.gz QUERXSQTWBYMCJ-UHFFFAOYSA-N 0 2 359.357 3.316 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccnc2OC(C)C)c1C ZINC000603980278 506679390 /nfs/dbraw/zinc/67/93/90/506679390.db2.gz HLJZTAWCORRTEA-UHFFFAOYSA-N 0 2 365.411 3.195 20 5 FGBDLN Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593737818 506754316 /nfs/dbraw/zinc/75/43/16/506754316.db2.gz VXYHKSOOVFRCBN-SFHVURJKSA-N 0 2 356.378 3.175 20 5 FGBDLN Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000593737818 506754322 /nfs/dbraw/zinc/75/43/22/506754322.db2.gz VXYHKSOOVFRCBN-SFHVURJKSA-N 0 2 356.378 3.175 20 5 FGBDLN CC1(c2nc(=NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])s[nH]2)CC1 ZINC000600228220 506860466 /nfs/dbraw/zinc/86/04/66/506860466.db2.gz SIXBPPQZNJXYJN-UHFFFAOYSA-N 0 2 372.328 3.191 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cnc1Cl ZINC000120168488 700649858 /nfs/dbraw/zinc/64/98/58/700649858.db2.gz HUUZNLUSFFXNPO-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN O=C1OC(c2c(F)cccc2Cl)=N/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000730466999 722468651 /nfs/dbraw/zinc/46/86/51/722468651.db2.gz VFURURWXJZGBGL-WDZFZDKYSA-N 0 2 362.700 3.437 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c(F)c1 ZINC000731780691 722478012 /nfs/dbraw/zinc/47/80/12/722478012.db2.gz BUDVWIBCQLCOFY-UHFFFAOYSA-N 0 2 365.386 3.135 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1CCCC2 ZINC000769672748 723691900 /nfs/dbraw/zinc/69/19/00/723691900.db2.gz SRPWPNVLWOAGKQ-UHFFFAOYSA-N 0 2 362.407 3.283 20 5 FGBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccc(Cl)nc2)cc1Cl ZINC000798247315 723918377 /nfs/dbraw/zinc/91/83/77/723918377.db2.gz OWRBNCZDKNJXPH-UHFFFAOYSA-N 0 2 366.157 3.237 20 5 FGBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1scnc1C1CC1 ZINC000777936706 724273127 /nfs/dbraw/zinc/27/31/27/724273127.db2.gz ATVQSJYHFBKNQG-UHFFFAOYSA-N 0 2 357.388 3.177 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000571236562 505686293 /nfs/dbraw/zinc/68/62/93/505686293.db2.gz FNNXQWZFZXYPIC-AWEZNQCLSA-N 0 2 362.769 3.247 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccnn2CCC(C)C)c1 ZINC000571250491 505689038 /nfs/dbraw/zinc/68/90/38/505689038.db2.gz DHGBJQYJCRIKSN-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN Cc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000066327248 494312209 /nfs/dbraw/zinc/31/22/09/494312209.db2.gz ADSFOFZBBLSRTE-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541038 494322184 /nfs/dbraw/zinc/32/21/84/494322184.db2.gz ZEXZQVGTKZSPQP-UHFFFAOYSA-N 0 2 354.362 3.391 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000089541115 494322987 /nfs/dbraw/zinc/32/29/87/494322987.db2.gz BHJSWOVPBRXWJE-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OCc2ccccc2)CC1 ZINC000073119720 494324832 /nfs/dbraw/zinc/32/48/32/494324832.db2.gz XMFSGNRWDBXFSB-UHFFFAOYSA-N 0 2 356.378 3.122 20 5 FGBDLN Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000055589974 494369194 /nfs/dbraw/zinc/36/91/94/494369194.db2.gz QVMUHUSFKXJLGT-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN O=C(NCCSCc1ccccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018160789 494426503 /nfs/dbraw/zinc/42/65/03/494426503.db2.gz ITNFCBAERPNELK-UHFFFAOYSA-N 0 2 350.371 3.103 20 5 FGBDLN CCSCc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000090367826 494458571 /nfs/dbraw/zinc/45/85/71/494458571.db2.gz NRPLSUUSGSZCJP-UHFFFAOYSA-N 0 2 353.425 3.044 20 5 FGBDLN CCN(CC)c1ccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c[nH+]1 ZINC000571449371 505736023 /nfs/dbraw/zinc/73/60/23/505736023.db2.gz QYQXJVJPLOIFQJ-UHFFFAOYSA-N 0 2 358.398 3.455 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(C2CCCCC2)no1 ZINC000075417720 494760744 /nfs/dbraw/zinc/76/07/44/494760744.db2.gz XIUKSYOJZIXHMA-JTQLQIEISA-N 0 2 360.370 3.222 20 5 FGBDLN CCC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119386653 495156601 /nfs/dbraw/zinc/15/66/01/495156601.db2.gz WLKXASZXRKBFNG-UHFFFAOYSA-N 0 2 354.409 3.358 20 5 FGBDLN CC(C)Oc1cc(CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)ccn1 ZINC000123961212 495212911 /nfs/dbraw/zinc/21/29/11/495212911.db2.gz JFJCQMYGXMLOBL-UHFFFAOYSA-N 0 2 371.393 3.287 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000142014053 495512508 /nfs/dbraw/zinc/51/25/08/495512508.db2.gz INLSHSYLBFLGLZ-CQSZACIVSA-N 0 2 372.377 3.295 20 5 FGBDLN Cc1cccnc1[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000115583735 495519804 /nfs/dbraw/zinc/51/98/04/495519804.db2.gz ZKYJIDMPYIIUII-CQSZACIVSA-N 0 2 367.402 3.113 20 5 FGBDLN Cc1nccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)n1 ZINC000185625745 495650614 /nfs/dbraw/zinc/65/06/14/495650614.db2.gz SZQUIDWUTXNYFY-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC000185729749 495701645 /nfs/dbraw/zinc/70/16/45/495701645.db2.gz UOQWMOAYXPHNNV-CYBMUJFWSA-N 0 2 358.394 3.402 20 5 FGBDLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000171342723 495829190 /nfs/dbraw/zinc/82/91/90/495829190.db2.gz HPLYXIKWAALLEA-VIFPVBQESA-N 0 2 370.818 3.217 20 5 FGBDLN O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183341159 495938984 /nfs/dbraw/zinc/93/89/84/495938984.db2.gz BPLVYMPOINSRHZ-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000183379682 495955208 /nfs/dbraw/zinc/95/52/08/495955208.db2.gz AZMNCHVUECJLKW-UHFFFAOYSA-N 0 2 367.452 3.262 20 5 FGBDLN CC(=O)N(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)C1CC1 ZINC000186732197 496127038 /nfs/dbraw/zinc/12/70/38/496127038.db2.gz ZXOCBFIIYOGQEP-UHFFFAOYSA-N 0 2 369.377 3.064 20 5 FGBDLN O=C(Cc1ccccc1Br)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183906759 496155030 /nfs/dbraw/zinc/15/50/30/496155030.db2.gz NZIMLALKACPKKI-UHFFFAOYSA-N 0 2 351.156 3.244 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000156173675 496177649 /nfs/dbraw/zinc/17/76/49/496177649.db2.gz CECNZJRGTXDTFM-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1-c1ccccc1 ZINC000152577381 496193804 /nfs/dbraw/zinc/19/38/04/496193804.db2.gz XVYXFESZVKGQQK-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000184509965 496417415 /nfs/dbraw/zinc/41/74/15/496417415.db2.gz XQVVCULIAUTBQP-CYBMUJFWSA-N 0 2 371.393 3.180 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000182092315 496666841 /nfs/dbraw/zinc/66/68/41/496666841.db2.gz FGCNTPDRIHAZPE-GOEBONIOSA-N 0 2 360.410 3.445 20 5 FGBDLN CC(C)Cn1ncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1C(F)F ZINC000166086644 496676645 /nfs/dbraw/zinc/67/66/45/496676645.db2.gz OBOFOCZJVCJHLU-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000166138011 496678327 /nfs/dbraw/zinc/67/83/27/496678327.db2.gz FQDIOVAKIYVHSR-UHFFFAOYSA-N 0 2 363.757 3.390 20 5 FGBDLN CCOCCOCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000273313056 496771653 /nfs/dbraw/zinc/77/16/53/496771653.db2.gz NQNNFUGPHCBIMB-UHFFFAOYSA-N 0 2 360.366 3.106 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000279772214 497536266 /nfs/dbraw/zinc/53/62/66/497536266.db2.gz MXXJCTKMGIRPOS-UHFFFAOYSA-N 0 2 360.210 3.257 20 5 FGBDLN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000276525106 497592742 /nfs/dbraw/zinc/59/27/42/497592742.db2.gz CMSXXPMNRGMTCK-OCCSQVGLSA-N 0 2 358.350 3.060 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cnn1C1CCCC1 ZINC000194223649 497606874 /nfs/dbraw/zinc/60/68/74/497606874.db2.gz HDWHVMBUDPJUEG-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN CCCN1C(=O)CCc2cc(NC(=O)c3cccc(O)c3[N+](=O)[O-])ccc21 ZINC000281080259 498013449 /nfs/dbraw/zinc/01/34/49/498013449.db2.gz FWIQMZRQUYWFSO-UHFFFAOYSA-N 0 2 369.377 3.242 20 5 FGBDLN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(O)c1[N+](=O)[O-])CCC2 ZINC000331848776 498474386 /nfs/dbraw/zinc/47/43/86/498474386.db2.gz QJRVUSUOMRKDRT-GFCCVEGCSA-N 0 2 361.423 3.469 20 5 FGBDLN CC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000286888237 498541778 /nfs/dbraw/zinc/54/17/78/498541778.db2.gz IWFGPKZLVNKLMX-ZDUSSCGKSA-N 0 2 360.366 3.199 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)[C@H]1C[C@@H]1C ZINC000294221744 498624780 /nfs/dbraw/zinc/62/47/80/498624780.db2.gz QUVJHMMYMJTHJZ-ZBEGNZNMSA-N 0 2 369.377 3.314 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2CCC2)cn1 ZINC000295219035 498947206 /nfs/dbraw/zinc/94/72/06/498947206.db2.gz QRPGLMLZNUDRQH-UHFFFAOYSA-N 0 2 363.395 3.067 20 5 FGBDLN COc1ccccc1[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccco1 ZINC000366489145 498951090 /nfs/dbraw/zinc/95/10/90/498951090.db2.gz KIZICPZUQRZHPR-KRWDZBQOSA-N 0 2 368.345 3.421 20 5 FGBDLN Cc1ccc(-c2cnc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])o2)cc1 ZINC000367616019 499218207 /nfs/dbraw/zinc/21/82/07/499218207.db2.gz MWNWQKVYBQSKKS-UHFFFAOYSA-N 0 2 353.334 3.194 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000367746386 499230569 /nfs/dbraw/zinc/23/05/69/499230569.db2.gz NAQWQKHDIGPENT-SFHVURJKSA-N 0 2 374.368 3.025 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c([N+](=O)[O-])c1 ZINC000392358676 499558416 /nfs/dbraw/zinc/55/84/16/499558416.db2.gz PUYSJROBRQFMQJ-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000408079224 499575811 /nfs/dbraw/zinc/57/58/11/499575811.db2.gz IIGPFXZPQIHNIS-NQCMUKECSA-N 0 2 360.410 3.110 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC=C(c2cc3cccnc3[nH]2)CC1 ZINC000376085947 499581919 /nfs/dbraw/zinc/58/19/19/499581919.db2.gz WOKBPVUAJCRYGA-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000414378877 499783367 /nfs/dbraw/zinc/78/33/67/499783367.db2.gz BMQXTUWVSGEYIZ-WMLDXEAASA-N 0 2 362.407 3.291 20 5 FGBDLN O=C(NCC1(c2c(F)cccc2F)CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000412631988 499870740 /nfs/dbraw/zinc/87/07/40/499870740.db2.gz RFBWASATGXJRIZ-UHFFFAOYSA-N 0 2 362.332 3.430 20 5 FGBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000413876904 500083896 /nfs/dbraw/zinc/08/38/96/500083896.db2.gz FQENCUUXBQJTFF-UHFFFAOYSA-N 0 2 371.393 3.105 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000425974365 500219815 /nfs/dbraw/zinc/21/98/15/500219815.db2.gz COUYUADARWEHSZ-UHFFFAOYSA-N 0 2 364.427 3.052 20 5 FGBDLN COc1cc(C[N@H+](CC(=O)[O-])Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC000570521441 506186812 /nfs/dbraw/zinc/18/68/12/506186812.db2.gz DOOFANBDJGXQGS-UHFFFAOYSA-N 0 2 374.393 3.007 20 5 FGBDLN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC000570521441 506186814 /nfs/dbraw/zinc/18/68/14/506186814.db2.gz DOOFANBDJGXQGS-UHFFFAOYSA-N 0 2 374.393 3.007 20 5 FGBDLN CC(C)(C)c1nc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])cs1 ZINC000426819771 500324795 /nfs/dbraw/zinc/32/47/95/500324795.db2.gz WIVFQNJRYIFRPZ-ZDUSSCGKSA-N 0 2 363.439 3.134 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1[N+](=O)[O-] ZINC000576585589 506192922 /nfs/dbraw/zinc/19/29/22/506192922.db2.gz ZWRDWZKWFLHHGW-UHFFFAOYSA-N 0 2 370.456 3.008 20 5 FGBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000573465791 506200203 /nfs/dbraw/zinc/20/02/03/506200203.db2.gz MLISGKIIPRYREG-UHFFFAOYSA-N 0 2 366.704 3.466 20 5 FGBDLN O=C(c1cc(F)c(O)c(Cl)c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000436943606 500575928 /nfs/dbraw/zinc/57/59/28/500575928.db2.gz MVGVIVPAOBXILB-UHFFFAOYSA-N 0 2 350.733 3.291 20 5 FGBDLN O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436964280 500580849 /nfs/dbraw/zinc/58/08/49/500580849.db2.gz HWYGWEIUXGYJJP-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN Cc1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000433123572 500631226 /nfs/dbraw/zinc/63/12/26/500631226.db2.gz VQECTGKVPPEJHY-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CCc1cccnc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000443414478 500721461 /nfs/dbraw/zinc/72/14/61/500721461.db2.gz CPIJKGXBXKRODF-UHFFFAOYSA-N 0 2 355.803 3.315 20 5 FGBDLN CC[C@@H](C)[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000443933159 500779668 /nfs/dbraw/zinc/77/96/68/500779668.db2.gz DUBTZASLQKPZMA-MFKMUULPSA-N 0 2 368.377 3.034 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1SC ZINC000444052716 500797294 /nfs/dbraw/zinc/79/72/94/500797294.db2.gz ZXKQFMRRUHFAHH-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN O=C(Nc1ccc2nn[nH]c2c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444190245 500815751 /nfs/dbraw/zinc/81/57/51/500815751.db2.gz WGXIHBRJUDUSIQ-UHFFFAOYSA-N 0 2 373.347 3.344 20 5 FGBDLN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1O ZINC000438768682 500818684 /nfs/dbraw/zinc/81/86/84/500818684.db2.gz DVVKSDOBYMIHKX-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN O=C(Nc1ccc2nn[nH]c2c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445005870 500931590 /nfs/dbraw/zinc/93/15/90/500931590.db2.gz SISMFFAXNADILJ-UHFFFAOYSA-N 0 2 355.357 3.205 20 5 FGBDLN O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436672159 501184334 /nfs/dbraw/zinc/18/43/34/501184334.db2.gz DCTDKDOWCCQONX-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN Cc1cc(C)n(-c2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436866184 501223849 /nfs/dbraw/zinc/22/38/49/501223849.db2.gz WCANMOCZJXPNEO-UHFFFAOYSA-N 0 2 366.377 3.033 20 5 FGBDLN Cc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCOCC1 ZINC000436867961 501224547 /nfs/dbraw/zinc/22/45/47/501224547.db2.gz GORCXXXHAFWAAW-UHFFFAOYSA-N 0 2 370.405 3.087 20 5 FGBDLN CCOc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1O)O[C@@H](C)C2 ZINC000436869217 501224691 /nfs/dbraw/zinc/22/46/91/501224691.db2.gz MGJPEQMCWWMAPC-JTQLQIEISA-N 0 2 358.350 3.275 20 5 FGBDLN COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000436871050 501224878 /nfs/dbraw/zinc/22/48/78/501224878.db2.gz OYCPMRHCGNVJPK-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592827705 506268141 /nfs/dbraw/zinc/26/81/41/506268141.db2.gz GGOXMWHPSRHWRF-GOSISDBHSA-N 0 2 370.405 3.104 20 5 FGBDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000463775646 501818391 /nfs/dbraw/zinc/81/83/91/501818391.db2.gz CVJASZGFDBXWNP-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2ccc(C[NH+]=c3[n-]nc4ccccn43)s2)cc1 ZINC000475057474 502040513 /nfs/dbraw/zinc/04/05/13/502040513.db2.gz ZMGLINPPARSZAC-UHFFFAOYSA-N 0 2 351.391 3.400 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c1[N+](=O)[O-] ZINC000479139946 502174569 /nfs/dbraw/zinc/17/45/69/502174569.db2.gz WCOYTEZWLKWSAI-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2[nH]ccc2s1 ZINC000479369352 502237029 /nfs/dbraw/zinc/23/70/29/502237029.db2.gz XOYMGLOZXWQXLS-UHFFFAOYSA-N 0 2 354.351 3.175 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2C)c([N+](=O)[O-])c1 ZINC000476288454 502445020 /nfs/dbraw/zinc/44/50/20/502445020.db2.gz QUIXFXNWVPKJPF-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN Cc1cc(C)n(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2F)n1 ZINC000469566398 502465258 /nfs/dbraw/zinc/46/52/58/502465258.db2.gz DCBZPOYIJSBUOE-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN O=C(NCc1cc(Cl)ccc1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000510029009 503033959 /nfs/dbraw/zinc/03/39/59/503033959.db2.gz MSJGRGDOTGDFKB-UHFFFAOYSA-N 0 2 372.711 3.485 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000491547655 503317710 /nfs/dbraw/zinc/31/77/10/503317710.db2.gz PVYCUCDYMMNSRX-GFCCVEGCSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc2n[nH]cc21 ZINC000499267409 503369294 /nfs/dbraw/zinc/36/92/94/503369294.db2.gz UOICYWVYMPROPW-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN CC(C)(C)c1ccccc1OCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000511699895 503372761 /nfs/dbraw/zinc/37/27/61/503372761.db2.gz WEADATGVERMIAR-UHFFFAOYSA-N 0 2 358.394 3.407 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cnn1CC(C)C ZINC000499294947 503373872 /nfs/dbraw/zinc/37/38/72/503373872.db2.gz FMAATUCGNUVALU-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000511815172 503393633 /nfs/dbraw/zinc/39/36/33/503393633.db2.gz VRLFYFXRCWCILW-UHFFFAOYSA-N 0 2 374.353 3.134 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000546621320 503811072 /nfs/dbraw/zinc/81/10/72/503811072.db2.gz TXVUTNOOVCAAKR-UHFFFAOYSA-N 0 2 366.443 3.407 20 5 FGBDLN Cc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])n(Cc2ccccc2)n1 ZINC000537208056 503842155 /nfs/dbraw/zinc/84/21/55/503842155.db2.gz UJLCBSWVMUHXDD-UHFFFAOYSA-N 0 2 352.350 3.106 20 5 FGBDLN O=C(Nc1cccc(OCC(F)(F)F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000537243590 503855686 /nfs/dbraw/zinc/85/56/86/503855686.db2.gz XLDHIFPMDLEFLP-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2ncccc12 ZINC000547434327 504104186 /nfs/dbraw/zinc/10/41/86/504104186.db2.gz HTHNKCIPWKCQIL-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000538019951 504117224 /nfs/dbraw/zinc/11/72/24/504117224.db2.gz RWDFKENBXPYKQQ-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN O=C(Nc1ccc(C(=O)NC2CCCC2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000539415685 504564015 /nfs/dbraw/zinc/56/40/15/504564015.db2.gz NGCOJUVUOZACPN-UHFFFAOYSA-N 0 2 369.377 3.225 20 5 FGBDLN Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000553467666 504922796 /nfs/dbraw/zinc/92/27/96/504922796.db2.gz DAILFYSCVIATOH-INIZCTEOSA-N 0 2 370.340 3.367 20 5 FGBDLN COc1ccc([C@H]2C[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1F ZINC000557067016 505057815 /nfs/dbraw/zinc/05/78/15/505057815.db2.gz CETCJOQCLBYYIF-HAQNSBGRSA-N 0 2 360.341 3.124 20 5 FGBDLN CC(C)(NC(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1[N+](=O)[O-] ZINC000557971330 505275162 /nfs/dbraw/zinc/27/51/62/505275162.db2.gz RGGYHVLEZQRPAE-UHFFFAOYSA-N 0 2 354.284 3.383 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1coc(C2CCCC2)n1 ZINC000559013653 505551552 /nfs/dbraw/zinc/55/15/52/505551552.db2.gz UFOUULQUDTVLEH-UHFFFAOYSA-N 0 2 368.353 3.278 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000603970214 506676188 /nfs/dbraw/zinc/67/61/88/506676188.db2.gz OKMOGLMKYCRNOO-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2cc(F)ccc2O1 ZINC000593816470 506787609 /nfs/dbraw/zinc/78/76/09/506787609.db2.gz XWPKFSMCQMBYRJ-CYBMUJFWSA-N 0 2 360.341 3.472 20 5 FGBDLN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593853234 506804333 /nfs/dbraw/zinc/80/43/33/506804333.db2.gz XSERMGQZUCLJBT-GFCCVEGCSA-N 0 2 364.398 3.027 20 5 FGBDLN CCOCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCc2ccccc21 ZINC000600443690 506956084 /nfs/dbraw/zinc/95/60/84/506956084.db2.gz IGUYULPSCJVEGY-GOSISDBHSA-N 0 2 370.405 3.467 20 5 FGBDLN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000597603510 507026082 /nfs/dbraw/zinc/02/60/82/507026082.db2.gz CULLRKKJWAUOJI-BVUBDWEXSA-N 0 2 362.426 3.092 20 5 FGBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1noc2cc(Cl)ccc21 ZINC000584314566 507274173 /nfs/dbraw/zinc/27/41/73/507274173.db2.gz PHZZRFMPAPZNGA-UHFFFAOYSA-N 0 2 367.770 3.331 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cs1 ZINC000120176366 700650135 /nfs/dbraw/zinc/65/01/35/700650135.db2.gz UCUZTFCKGLVXJY-UHFFFAOYSA-N 0 2 363.760 3.019 20 5 FGBDLN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccsc2)c1 ZINC000130681592 700804988 /nfs/dbraw/zinc/80/49/88/700804988.db2.gz KJTFYZRSKOYWEZ-UHFFFAOYSA-N 0 2 363.214 3.220 20 5 FGBDLN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc(Br)c1O ZINC000525938773 714389396 /nfs/dbraw/zinc/38/93/96/714389396.db2.gz SLZQNXXLVKYIHH-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CSC)cc1 ZINC000619467245 714839636 /nfs/dbraw/zinc/83/96/36/714839636.db2.gz WGTKDIVNBYPXBK-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2scnc2c1 ZINC000619466952 714839657 /nfs/dbraw/zinc/83/96/57/714839657.db2.gz FTARIAHUDQFMSR-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000619467985 714840203 /nfs/dbraw/zinc/84/02/03/714840203.db2.gz QSBKSFZCBOKAIJ-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cccc3c2CCO3)c1 ZINC000794609395 723534785 /nfs/dbraw/zinc/53/47/85/723534785.db2.gz XRSWZJORKDDBLR-UHFFFAOYSA-N 0 2 368.798 3.292 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000776205766 724118328 /nfs/dbraw/zinc/11/83/28/724118328.db2.gz ZRUZCDCCHARJFK-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000788299230 725056315 /nfs/dbraw/zinc/05/63/15/725056315.db2.gz QFWRNSCEHSFAHA-AWEZNQCLSA-N 0 2 371.176 3.071 20 5 FGBDLN COc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)c([N+](=O)[O-])cc1OC ZINC000805255291 725059786 /nfs/dbraw/zinc/05/97/86/725059786.db2.gz OUYOUNNHUDJKGC-UHFFFAOYSA-N 0 2 370.720 3.362 20 5 FGBDLN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000568060773 505606535 /nfs/dbraw/zinc/60/65/35/505606535.db2.gz NXQQKAQJMZKWLO-GXTWGEPZSA-N 0 2 366.414 3.077 20 5 FGBDLN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000568060773 505606539 /nfs/dbraw/zinc/60/65/39/505606539.db2.gz NXQQKAQJMZKWLO-GXTWGEPZSA-N 0 2 366.414 3.077 20 5 FGBDLN CN(C)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000068300257 493792212 /nfs/dbraw/zinc/79/22/12/493792212.db2.gz NMGGHKMGIDDELJ-UHFFFAOYSA-N 0 2 355.803 3.115 20 5 FGBDLN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031266571 493935035 /nfs/dbraw/zinc/93/50/35/493935035.db2.gz DECUUZMHZOSHRV-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000083955775 494041173 /nfs/dbraw/zinc/04/11/73/494041173.db2.gz SORAEPORTXVQEV-UHFFFAOYSA-N 0 2 362.458 3.041 20 5 FGBDLN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065321828 494189233 /nfs/dbraw/zinc/18/92/33/494189233.db2.gz KGDYDJSJKYTPNO-UHFFFAOYSA-N 0 2 369.377 3.065 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000066249938 494295052 /nfs/dbraw/zinc/29/50/52/494295052.db2.gz FATYSHIPIVOICG-UHFFFAOYSA-N 0 2 372.834 3.210 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000066254342 494297201 /nfs/dbraw/zinc/29/72/01/494297201.db2.gz YHEUEWWAZGAJOH-UHFFFAOYSA-N 0 2 371.346 3.284 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055565651 494362136 /nfs/dbraw/zinc/36/21/36/494362136.db2.gz MXTQNBMDWVADDX-UHFFFAOYSA-N 0 2 366.395 3.193 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000089892620 494394629 /nfs/dbraw/zinc/39/46/29/494394629.db2.gz JHIHGSGUUXSMCH-AWEZNQCLSA-N 0 2 362.769 3.247 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c([N+](=O)[O-])c1 ZINC000121158136 494622467 /nfs/dbraw/zinc/62/24/67/494622467.db2.gz ORVUJPVZOTWXSC-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1OC ZINC000057123472 494647536 /nfs/dbraw/zinc/64/75/36/494647536.db2.gz RPTXIHYEWLVWIV-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN COc1ccc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047521673 494726312 /nfs/dbraw/zinc/72/63/12/494726312.db2.gz UQPBJTSHLSQTOP-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1Cl ZINC000093930876 494936390 /nfs/dbraw/zinc/93/63/90/494936390.db2.gz DPSVNWMCLLXOGW-UHFFFAOYSA-N 0 2 356.787 3.195 20 5 FGBDLN CCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119106019 495094199 /nfs/dbraw/zinc/09/41/99/495094199.db2.gz FYJPPBNSXFUEQJ-UHFFFAOYSA-N 0 2 356.425 3.302 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000119547236 495188604 /nfs/dbraw/zinc/18/86/04/495188604.db2.gz WFIZVNMAZRSNCX-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129837796 495302494 /nfs/dbraw/zinc/30/24/94/495302494.db2.gz RHFUVNAPSZSTRG-SKDRFNHKSA-N 0 2 350.733 3.379 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1CCC(C)C ZINC000137826584 495451953 /nfs/dbraw/zinc/45/19/53/495451953.db2.gz OVPALERUDJBNQN-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000140044882 495487951 /nfs/dbraw/zinc/48/79/51/495487951.db2.gz OMQQLTCUIIGBBX-CQSZACIVSA-N 0 2 370.361 3.049 20 5 FGBDLN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000185359624 495547133 /nfs/dbraw/zinc/54/71/33/495547133.db2.gz XWAKBTRLKMOYQI-UHFFFAOYSA-N 0 2 371.393 3.471 20 5 FGBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(-c2ccccc2)on1 ZINC000182724573 495677806 /nfs/dbraw/zinc/67/78/06/495677806.db2.gz USTPPRRKISACJV-UHFFFAOYSA-N 0 2 373.390 3.234 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)o1 ZINC000182779956 495700596 /nfs/dbraw/zinc/70/05/96/495700596.db2.gz XXPGQUKIKJIXIM-UHFFFAOYSA-N 0 2 362.310 3.207 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1C ZINC000171341465 495828280 /nfs/dbraw/zinc/82/82/80/495828280.db2.gz MNBALILZAVSFML-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000159960597 495850328 /nfs/dbraw/zinc/85/03/28/495850328.db2.gz BJMRSHGHHVFDRQ-UHFFFAOYSA-N 0 2 358.807 3.115 20 5 FGBDLN COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155971707 496122032 /nfs/dbraw/zinc/12/20/32/496122032.db2.gz FKKIYKGWXSWLPP-UHFFFAOYSA-N 0 2 365.773 3.403 20 5 FGBDLN COc1cc(Br)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180764103 496136410 /nfs/dbraw/zinc/13/64/10/496136410.db2.gz OWXKTKFRAOZAOO-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ncc(-c2ccccc2)o1 ZINC000156028461 496136777 /nfs/dbraw/zinc/13/67/77/496136777.db2.gz ABEXMOCQKAXYCN-LLVKDONJSA-N 0 2 353.334 3.446 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)c1C ZINC000178159016 496351084 /nfs/dbraw/zinc/35/10/84/496351084.db2.gz PRSFOSUZCQSQRY-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187483748 496460776 /nfs/dbraw/zinc/46/07/76/496460776.db2.gz MAHRSMZTVGEXGP-CQSZACIVSA-N 0 2 355.394 3.041 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000184680927 496490823 /nfs/dbraw/zinc/49/08/23/496490823.db2.gz RHOVMUHZZGQYQR-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184719772 496506966 /nfs/dbraw/zinc/50/69/66/496506966.db2.gz WLPWGJWLMIMOSO-UHFFFAOYSA-N 0 2 371.393 3.247 20 5 FGBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](c2ccc(F)cc2)O1 ZINC000182049381 496649736 /nfs/dbraw/zinc/64/97/36/496649736.db2.gz SXHPEAXIEBFRBD-APPDUMDISA-N 0 2 360.341 3.042 20 5 FGBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000182049426 496649870 /nfs/dbraw/zinc/64/98/70/496649870.db2.gz SXHPEAXIEBFRBD-GTNSWQLSSA-N 0 2 360.341 3.042 20 5 FGBDLN CN(C)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000166181760 496679724 /nfs/dbraw/zinc/67/97/24/496679724.db2.gz HUROUHQHBKCCSQ-UHFFFAOYSA-N 0 2 352.350 3.167 20 5 FGBDLN Cc1ccc(-n2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cn2)c(C)c1 ZINC000191403048 496751109 /nfs/dbraw/zinc/75/11/09/496751109.db2.gz BMRVXVXOPMEOTJ-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000273419480 496801448 /nfs/dbraw/zinc/80/14/48/496801448.db2.gz VDNONFDICPPGLB-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN COCCc1ccccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000191886913 496920698 /nfs/dbraw/zinc/92/06/98/496920698.db2.gz JYPACFGBZDIZJA-UHFFFAOYSA-N 0 2 370.814 3.238 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000220339756 497014825 /nfs/dbraw/zinc/01/48/25/497014825.db2.gz IUFDVSSTMBLYRZ-UHFFFAOYSA-N 0 2 367.452 3.429 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)c1[N+](=O)[O-] ZINC000189246934 497057178 /nfs/dbraw/zinc/05/71/78/497057178.db2.gz STQNNBVXEOMYMR-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN O=C(NCc1cc(Br)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561673 497117079 /nfs/dbraw/zinc/11/70/79/497117079.db2.gz CTAMRDIYWMPPOS-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN CSc1nc(C2CC2)nc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000270440119 497128583 /nfs/dbraw/zinc/12/85/83/497128583.db2.gz ZLSKYCRSNXMYEJ-UHFFFAOYSA-N 0 2 360.395 3.250 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(OC2CCOCC2)cc1 ZINC000275112243 497239039 /nfs/dbraw/zinc/23/90/39/497239039.db2.gz LQUWUAMGSMIXCK-UHFFFAOYSA-N 0 2 358.350 3.111 20 5 FGBDLN COc1cccc(OC)c1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000276714324 497634318 /nfs/dbraw/zinc/63/43/18/497634318.db2.gz YSSFCGUVRNCBED-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CN(Cc1ccc(Br)s1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194740091 497755908 /nfs/dbraw/zinc/75/59/08/497755908.db2.gz OXGULBJFFVUKOH-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000578428698 505937434 /nfs/dbraw/zinc/93/74/34/505937434.db2.gz DDCVQPLISKOFEG-UHFFFAOYSA-N 0 2 355.394 3.173 20 5 FGBDLN COc1ccc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1OC ZINC000581390359 505976864 /nfs/dbraw/zinc/97/68/64/505976864.db2.gz MDCUFBSTNWRUSC-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN CCOc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000365192164 498343421 /nfs/dbraw/zinc/34/34/21/498343421.db2.gz VQEIPQQKPWWMSY-UHFFFAOYSA-N 0 2 358.442 3.182 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000294259211 498636658 /nfs/dbraw/zinc/63/66/58/498636658.db2.gz UEKDSSOPROWXFM-BDJLRTHQSA-N 0 2 369.377 3.314 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC=C(c2cc3cccnc3[nH]2)CC1 ZINC000375377645 499512020 /nfs/dbraw/zinc/51/20/20/499512020.db2.gz NMTIKCDISWRLGG-UHFFFAOYSA-N 0 2 364.361 3.106 20 5 FGBDLN O=C(NCc1ccsc1Br)c1cc(O)ccc1[N+](=O)[O-] ZINC000388497680 499551289 /nfs/dbraw/zinc/55/12/89/499551289.db2.gz DTRMONRDVZRPKN-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000412283570 499841116 /nfs/dbraw/zinc/84/11/16/499841116.db2.gz CUNGHAXIWDCFFV-HNNXBMFYSA-N 0 2 358.398 3.398 20 5 FGBDLN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000430387285 500234054 /nfs/dbraw/zinc/23/40/54/500234054.db2.gz UHSHTCAGTOOYRN-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000426990237 500342080 /nfs/dbraw/zinc/34/20/80/500342080.db2.gz HCZGSVDFUJWXKC-LBPRGKRZSA-N 0 2 362.407 3.183 20 5 FGBDLN O=C(N[C@@H](CO)c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000436934417 500573995 /nfs/dbraw/zinc/57/39/95/500573995.db2.gz SOFJPHFUWNPHNW-LBPRGKRZSA-N 0 2 371.176 3.071 20 5 FGBDLN Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436980046 500585573 /nfs/dbraw/zinc/58/55/73/500585573.db2.gz MBMPBPRTUAGHFN-SJLPKXTDSA-N 0 2 356.378 3.259 20 5 FGBDLN O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000436996987 500589478 /nfs/dbraw/zinc/58/94/78/500589478.db2.gz DSTIJTMBGWAIIK-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000437304822 500626677 /nfs/dbraw/zinc/62/66/77/500626677.db2.gz JIZFYQROPFSGDM-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])c1 ZINC000437307825 500627639 /nfs/dbraw/zinc/62/76/39/500627639.db2.gz RIBNCSBNNXZYIR-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)cc1[N+](=O)[O-] ZINC000437317100 500629411 /nfs/dbraw/zinc/62/94/11/500629411.db2.gz YMDMVXSTJXJVHL-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1[N+](=O)[O-] ZINC000438774144 500818732 /nfs/dbraw/zinc/81/87/32/500818732.db2.gz IZHLMUAMDYFTBS-UHFFFAOYSA-N 0 2 372.834 3.210 20 5 FGBDLN O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000444629435 500869626 /nfs/dbraw/zinc/86/96/26/500869626.db2.gz KWSVQZLHHICDIG-UHFFFAOYSA-N 0 2 351.322 3.086 20 5 FGBDLN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000436508157 501143336 /nfs/dbraw/zinc/14/33/36/501143336.db2.gz CAVXZEFXYGJUGG-SFHVURJKSA-N 0 2 362.332 3.459 20 5 FGBDLN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H](OCC)C1(C)C ZINC000436668707 501183161 /nfs/dbraw/zinc/18/31/61/501183161.db2.gz DZBIXHQLPFIZES-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(NCc1cc(Br)cs1)c1cc([N+](=O)[O-])ccc1O ZINC000436673752 501185484 /nfs/dbraw/zinc/18/54/84/501185484.db2.gz LUVRYPUOOXNCNG-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000436715838 501195249 /nfs/dbraw/zinc/19/52/49/501195249.db2.gz YSIZHUOXHZXQMN-AWEZNQCLSA-N 0 2 362.769 3.247 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000436867137 501224152 /nfs/dbraw/zinc/22/41/52/501224152.db2.gz AUTPMAMPOOYLSU-CQSZACIVSA-N 0 2 356.334 3.006 20 5 FGBDLN C[C@H]1CN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](C)O1 ZINC000436868492 501224717 /nfs/dbraw/zinc/22/47/17/501224717.db2.gz JSNJEBBNRHVNEL-STQMWFEESA-N 0 2 371.393 3.166 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OC1CCOCC1 ZINC000436867884 501224724 /nfs/dbraw/zinc/22/47/24/501224724.db2.gz FMRYTSZAYMCAMA-UHFFFAOYSA-N 0 2 372.377 3.419 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cnn(Cc2ccccc2)c1 ZINC000436897768 501229312 /nfs/dbraw/zinc/22/93/12/501229312.db2.gz CIFZBYBTUILLNG-ZDUSSCGKSA-N 0 2 366.377 3.036 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2OCCF)cc1C ZINC000451088314 501244680 /nfs/dbraw/zinc/24/46/80/501244680.db2.gz WJDIOWYFJSXHSZ-UHFFFAOYSA-N 0 2 368.386 3.361 20 5 FGBDLN CCCn1ncc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C1CC1 ZINC000451094378 501245242 /nfs/dbraw/zinc/24/52/42/501245242.db2.gz PSGREKJYXXXNJW-UHFFFAOYSA-N 0 2 364.427 3.188 20 5 FGBDLN CC(C)(C)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000467767054 501865462 /nfs/dbraw/zinc/86/54/62/501865462.db2.gz FZZASWINBUGTTC-UHFFFAOYSA-N 0 2 350.396 3.399 20 5 FGBDLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(Cl)c1OC ZINC000486104928 502048212 /nfs/dbraw/zinc/04/82/12/502048212.db2.gz WGCHLGLCKNFPDU-PLNGDYQASA-N 0 2 367.745 3.027 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000478692955 502059132 /nfs/dbraw/zinc/05/91/32/502059132.db2.gz BXJOLCHFNXGJOH-JTQLQIEISA-N 0 2 364.427 3.316 20 5 FGBDLN Cc1ccccc1-c1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])n(C)n1 ZINC000486514881 502178247 /nfs/dbraw/zinc/17/82/47/502178247.db2.gz CTXWFJGIXXSFLJ-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN COc1cc(C)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1F ZINC000479550831 502295498 /nfs/dbraw/zinc/29/54/98/502295498.db2.gz CIFHOISAIZOWCY-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000475820901 502300959 /nfs/dbraw/zinc/30/09/59/502300959.db2.gz WXKKRVJLGCGZNZ-UHFFFAOYSA-N 0 2 353.306 3.155 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000469511753 502447619 /nfs/dbraw/zinc/44/76/19/502447619.db2.gz HCHYTZQGKUCMLB-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000462491934 502462760 /nfs/dbraw/zinc/46/27/60/502462760.db2.gz SMWHTBQHJGYTLC-LBPRGKRZSA-N 0 2 362.455 3.373 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000480240059 502510217 /nfs/dbraw/zinc/51/02/17/502510217.db2.gz IYSZDBPIGHZORR-LLVKDONJSA-N 0 2 366.443 3.488 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000480242057 502511535 /nfs/dbraw/zinc/51/15/35/502511535.db2.gz PIOABDSYQSPFKE-GFCCVEGCSA-N 0 2 366.443 3.488 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000469713853 502513251 /nfs/dbraw/zinc/51/32/51/502513251.db2.gz QRSUSODVZMQXIG-CYBMUJFWSA-N 0 2 372.352 3.175 20 5 FGBDLN COCCc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000466409879 502561698 /nfs/dbraw/zinc/56/16/98/502561698.db2.gz MUDADBSRAIPFFJ-UHFFFAOYSA-N 0 2 370.814 3.238 20 5 FGBDLN COc1cc(C)c([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000506476202 503122681 /nfs/dbraw/zinc/12/26/81/503122681.db2.gz DUABMQNRMKBTGT-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN COc1ccc(F)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000507008440 503212263 /nfs/dbraw/zinc/21/22/63/503212263.db2.gz SPIPAVUPTRRLAB-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN CCOCCOCc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000507715546 503353411 /nfs/dbraw/zinc/35/34/11/503353411.db2.gz DRZQTWTYISDHOJ-UHFFFAOYSA-N 0 2 360.366 3.106 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc(-c2ccncc2)cs1 ZINC000511722312 503376278 /nfs/dbraw/zinc/37/62/78/503376278.db2.gz LFYCMRJKDMFKGH-SNVBAGLBSA-N 0 2 370.390 3.310 20 5 FGBDLN Cc1nc(-c2ccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])o2)cs1 ZINC000503685388 503458187 /nfs/dbraw/zinc/45/81/87/503458187.db2.gz SSNHGMZLIYOSDX-UHFFFAOYSA-N 0 2 359.363 3.255 20 5 FGBDLN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503945136 503495614 /nfs/dbraw/zinc/49/56/14/503495614.db2.gz MBQJUAFLDFVIDU-HOCLYGCPSA-N 0 2 362.769 3.214 20 5 FGBDLN CCOc1cc(C(=O)Nc2cc(C(C)=O)ccc2O)c([N+](=O)[O-])cc1OC ZINC000512584132 503589787 /nfs/dbraw/zinc/58/97/87/503589787.db2.gz XBDZCCNQJOSBEO-UHFFFAOYSA-N 0 2 374.349 3.163 20 5 FGBDLN Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2F)n1 ZINC000537216358 503844982 /nfs/dbraw/zinc/84/49/82/503844982.db2.gz UIABFWJXBLXETL-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nccnc1Sc1ccccc1 ZINC000544256036 504062375 /nfs/dbraw/zinc/06/23/75/504062375.db2.gz CQXKTCWOGXLCET-UHFFFAOYSA-N 0 2 368.374 3.494 20 5 FGBDLN O=C(NCCCSc1ccc(F)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000537953397 504094472 /nfs/dbraw/zinc/09/44/72/504094472.db2.gz RLMWRWCLRFTIQC-UHFFFAOYSA-N 0 2 350.371 3.352 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cncnc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000544615310 504191484 /nfs/dbraw/zinc/19/14/84/504191484.db2.gz LFJBLYRDRZVHMM-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c1C ZINC000534908250 504277403 /nfs/dbraw/zinc/27/74/03/504277403.db2.gz YBTWZBCWOWBQMO-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000535686445 504507186 /nfs/dbraw/zinc/50/71/86/504507186.db2.gz UELBPWBWAPBUCU-NSHDSACASA-N 0 2 364.427 3.441 20 5 FGBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000542517352 504522212 /nfs/dbraw/zinc/52/22/12/504522212.db2.gz FHKMBVQGGZYNBJ-UHFFFAOYSA-N 0 2 369.811 3.081 20 5 FGBDLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000520624650 504543710 /nfs/dbraw/zinc/54/37/10/504543710.db2.gz SSFHQLYIIZKIIP-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2noc(-c3ccccc3)n2)c1C ZINC000539813763 504698030 /nfs/dbraw/zinc/69/80/30/504698030.db2.gz LPUQIGCPPCRQRP-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN O=C(Nc1ccc(Oc2cccnc2)nc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000560044846 504978070 /nfs/dbraw/zinc/97/80/70/504978070.db2.gz NUSUPPFSIYQXON-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000557011923 505043698 /nfs/dbraw/zinc/04/36/98/505043698.db2.gz PMKRTTMQMTZPCA-CYBMUJFWSA-N 0 2 366.377 3.089 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-n2cccc2)c1 ZINC000550965625 505132541 /nfs/dbraw/zinc/13/25/41/505132541.db2.gz CXQXEUNFONCLOU-UHFFFAOYSA-N 0 2 373.390 3.195 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000566760302 505265779 /nfs/dbraw/zinc/26/57/79/505265779.db2.gz LTIBENBGHGEBMW-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CCCN1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000561987104 505485643 /nfs/dbraw/zinc/48/56/43/505485643.db2.gz PYFGAZLQCJGETR-UHFFFAOYSA-N 0 2 359.357 3.316 20 5 FGBDLN C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734157 506752723 /nfs/dbraw/zinc/75/27/23/506752723.db2.gz XAGVXCHVXUAOTO-FZKQIMNGSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734157 506752729 /nfs/dbraw/zinc/75/27/29/506752729.db2.gz XAGVXCHVXUAOTO-FZKQIMNGSA-N 0 2 356.378 3.255 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(Oc2cccc(F)c2)CC1 ZINC000600178470 506824477 /nfs/dbraw/zinc/82/44/77/506824477.db2.gz JSCUJKKVGPFDSJ-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000600227876 506859562 /nfs/dbraw/zinc/85/95/62/506859562.db2.gz OYDZUYKPFXSVLI-GFCCVEGCSA-N 0 2 360.439 3.127 20 5 FGBDLN CC[C@H](C)c1nc(C)c(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1 ZINC000594334019 507082652 /nfs/dbraw/zinc/08/26/52/507082652.db2.gz IGFWIEBNMWTMOW-JTQLQIEISA-N 0 2 358.398 3.402 20 5 FGBDLN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000594736249 507261114 /nfs/dbraw/zinc/26/11/14/507261114.db2.gz NGWPYEUTOHMFGU-MNOVXSKESA-N 0 2 369.299 3.232 20 5 FGBDLN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000598222791 507326495 /nfs/dbraw/zinc/32/64/95/507326495.db2.gz BLIZYZOBLADQCZ-KRWDZBQOSA-N 0 2 374.368 3.432 20 5 FGBDLN C[C@@H](c1ccccc1)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000610733949 507370417 /nfs/dbraw/zinc/37/04/17/507370417.db2.gz MEGRTQNWIYIWFD-ZDUSSCGKSA-N 0 2 372.406 3.201 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC2(CCc3ccccc3O2)CC1 ZINC000598399392 507409963 /nfs/dbraw/zinc/40/99/63/507409963.db2.gz QWISXFSGGRZESW-UHFFFAOYSA-N 0 2 368.389 3.300 20 5 FGBDLN Cc1ccccc1C(F)(F)CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000595364539 507473000 /nfs/dbraw/zinc/47/30/00/507473000.db2.gz GMXMOBRKQKRALH-UHFFFAOYSA-N 0 2 370.377 3.115 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c(C)c1[N+](=O)[O-] ZINC000598734838 507573479 /nfs/dbraw/zinc/57/34/79/507573479.db2.gz PHPBEERMBRYSJS-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c(C)c1[N+](=O)[O-] ZINC000598734003 507573487 /nfs/dbraw/zinc/57/34/87/507573487.db2.gz HYLIFKQAOTYWGL-UHFFFAOYSA-N 0 2 367.452 3.348 20 5 FGBDLN O=C(NCc1ccnc(Oc2ccccc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586292836 507651370 /nfs/dbraw/zinc/65/13/70/507651370.db2.gz HOFMHWHFFLKKCO-UHFFFAOYSA-N 0 2 365.345 3.418 20 5 FGBDLN C[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000828302052 604272367 /nfs/dbraw/zinc/27/23/67/604272367.db2.gz CXOGCDZYFJNUNG-ZUZCIYMTSA-N 0 2 364.789 3.230 20 5 FGBDLN CC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000078824413 700289143 /nfs/dbraw/zinc/28/91/43/700289143.db2.gz UWVSRDZCMDULSJ-UHFFFAOYSA-N 0 2 352.343 3.046 20 5 FGBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)ccc1Cl ZINC000105589610 700502416 /nfs/dbraw/zinc/50/24/16/700502416.db2.gz SXUSEUWBXNNKNN-UHFFFAOYSA-N 0 2 366.704 3.466 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152655892 704969511 /nfs/dbraw/zinc/96/95/11/704969511.db2.gz NTTONKWEOBUIIQ-UHFFFAOYSA-N 0 2 371.758 3.266 20 5 FGBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1C ZINC000790421700 723138553 /nfs/dbraw/zinc/13/85/53/723138553.db2.gz YSZJXTCNERPUME-SNVBAGLBSA-N 0 2 370.406 3.319 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccc1F ZINC000795367517 723585737 /nfs/dbraw/zinc/58/57/37/723585737.db2.gz OPAQOGHYTDJQKH-UHFFFAOYSA-N 0 2 370.333 3.185 20 5 FGBDLN CN(C)C(=O)Sc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000772941426 723772665 /nfs/dbraw/zinc/77/26/65/723772665.db2.gz LDPVTXGTXQNZJQ-UHFFFAOYSA-N 0 2 361.379 3.326 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(OCC(F)(F)F)c1 ZINC000776205282 724118431 /nfs/dbraw/zinc/11/84/31/724118431.db2.gz VYFONEPMKXIXFM-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN CC1(C)CCc2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000841502603 730249707 /nfs/dbraw/zinc/24/97/07/730249707.db2.gz AYHMYUGLVBWUEU-UHFFFAOYSA-N 0 2 373.481 3.429 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2nc3cc(C(F)(F)F)ccc3s2)no1 ZINC000842487026 730508138 /nfs/dbraw/zinc/50/81/38/730508138.db2.gz HYNPTWCNIBIXFM-VXNVDRBHSA-N 0 2 370.312 3.422 20 5 FGBDLN CCCOc1ccc(Br)cc1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842492194 730508277 /nfs/dbraw/zinc/50/82/77/730508277.db2.gz WOYMCMUXMVKPHN-MWLCHTKSSA-N 0 2 368.187 3.421 20 5 FGBDLN C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852759557 731631292 /nfs/dbraw/zinc/63/12/92/731631292.db2.gz RCZSGHJSIKSYLY-GYSYKLTISA-N 0 2 359.348 3.045 20 5 FGBDLN C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852759557 731631295 /nfs/dbraw/zinc/63/12/95/731631295.db2.gz RCZSGHJSIKSYLY-GYSYKLTISA-N 0 2 359.348 3.045 20 5 FGBDLN Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cccc1[N+](=O)[O-] ZINC000081731382 493947651 /nfs/dbraw/zinc/94/76/51/493947651.db2.gz SAIHLVAYWKXGKC-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000007054251 493996952 /nfs/dbraw/zinc/99/69/52/493996952.db2.gz XSNDCEAVOSMJAE-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000063635214 494072949 /nfs/dbraw/zinc/07/29/49/494072949.db2.gz RUMPQULBOPGVIA-UHFFFAOYSA-N 0 2 360.395 3.143 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)cc1C ZINC000063849915 494093195 /nfs/dbraw/zinc/09/31/95/494093195.db2.gz DBHZNOHLWRPHCB-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065321811 494189264 /nfs/dbraw/zinc/18/92/64/494189264.db2.gz BAXXYSUWAQDBPZ-UHFFFAOYSA-N 0 2 373.434 3.414 20 5 FGBDLN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000089530909 494321730 /nfs/dbraw/zinc/32/17/30/494321730.db2.gz JJAMBEXZEVWEHD-YGRLFVJLSA-N 0 2 355.350 3.147 20 5 FGBDLN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000089530912 494321974 /nfs/dbraw/zinc/32/19/74/494321974.db2.gz JJAMBEXZEVWEHD-HZMBPMFUSA-N 0 2 355.350 3.147 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000066585567 494359585 /nfs/dbraw/zinc/35/95/85/494359585.db2.gz CFPLFOMLYIJRBQ-UHFFFAOYSA-N 0 2 358.807 3.135 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnc(-c2ccccc2)nc1 ZINC000055576832 494364703 /nfs/dbraw/zinc/36/47/03/494364703.db2.gz UDVLKJKXUKCPTI-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000021205185 494490488 /nfs/dbraw/zinc/49/04/88/494490488.db2.gz DUFBZZIKERUDDL-OAHLLOKOSA-N 0 2 372.377 3.295 20 5 FGBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1cccc(Cl)c1 ZINC000075161540 494698942 /nfs/dbraw/zinc/69/89/42/494698942.db2.gz VUFXPPUXTGHDMH-JTQLQIEISA-N 0 2 350.758 3.151 20 5 FGBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccccc1Cl ZINC000075161733 494699876 /nfs/dbraw/zinc/69/98/76/494699876.db2.gz KFCCKVHOJWRDHT-SNVBAGLBSA-N 0 2 350.758 3.151 20 5 FGBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccc(Cl)cc1 ZINC000075229707 494712739 /nfs/dbraw/zinc/71/27/39/494712739.db2.gz MGARRQHXTVNPRD-JTQLQIEISA-N 0 2 350.758 3.151 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000108640106 494755129 /nfs/dbraw/zinc/75/51/29/494755129.db2.gz HDIQBZOJXFLSCN-UHFFFAOYSA-N 0 2 366.443 3.026 20 5 FGBDLN CSc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1[N+](=O)[O-] ZINC000109624342 494897505 /nfs/dbraw/zinc/89/75/05/494897505.db2.gz WTDPCWNSDJFNRU-UHFFFAOYSA-N 0 2 373.369 3.493 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)c1 ZINC000119064229 495084080 /nfs/dbraw/zinc/08/40/80/495084080.db2.gz XLBVPLGKIGKTEB-UHFFFAOYSA-N 0 2 356.425 3.473 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000119093770 495090590 /nfs/dbraw/zinc/09/05/90/495090590.db2.gz AAPRTYPGXJUVCH-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN CO[C@H](C)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119106765 495094165 /nfs/dbraw/zinc/09/41/65/495094165.db2.gz CGFAMDYPQXFZEH-SECBINFHSA-N 0 2 356.425 3.473 20 5 FGBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1nccc2ccccc21 ZINC000103201196 495203614 /nfs/dbraw/zinc/20/36/14/495203614.db2.gz GIIDKCYZDLMBMG-UHFFFAOYSA-N 0 2 360.333 3.180 20 5 FGBDLN CC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000131228298 495509312 /nfs/dbraw/zinc/50/93/12/495509312.db2.gz LOAAFVIOARVPOA-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000182541241 495606462 /nfs/dbraw/zinc/60/64/62/495606462.db2.gz RPGNBEMQVGIQPX-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN(c2ccccc2)C1 ZINC000179501363 495617450 /nfs/dbraw/zinc/61/74/50/495617450.db2.gz YVPQMQKKSCOKKE-INIZCTEOSA-N 0 2 355.394 3.041 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)s1 ZINC000182790780 495703640 /nfs/dbraw/zinc/70/36/40/495703640.db2.gz XZYSPUPZZWNORL-SNVBAGLBSA-N 0 2 358.363 3.056 20 5 FGBDLN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000180174724 495891875 /nfs/dbraw/zinc/89/18/75/495891875.db2.gz CHKRQBJCWHBBKE-CYBMUJFWSA-N 0 2 361.423 3.469 20 5 FGBDLN CC(C)c1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cs1 ZINC000171484309 495897665 /nfs/dbraw/zinc/89/76/65/495897665.db2.gz WECJZLYWDUYXJP-UHFFFAOYSA-N 0 2 358.383 3.212 20 5 FGBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000180787461 496147109 /nfs/dbraw/zinc/14/71/09/496147109.db2.gz IHAKCXBADJYPHS-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN Cc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162348962 496340692 /nfs/dbraw/zinc/34/06/92/496340692.db2.gz RAMKICYKIFNNGY-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000162504856 496364321 /nfs/dbraw/zinc/36/43/21/496364321.db2.gz QSOIATYAIMYXPB-NSHDSACASA-N 0 2 357.366 3.081 20 5 FGBDLN COc1ccc(Br)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184559626 496440285 /nfs/dbraw/zinc/44/02/85/496440285.db2.gz XRURMYFVTINAQF-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000184689178 496495100 /nfs/dbraw/zinc/49/51/00/496495100.db2.gz NLMUHHMWQOEQOE-MRXNPFEDSA-N 0 2 356.378 3.122 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000153577228 496504021 /nfs/dbraw/zinc/50/40/21/496504021.db2.gz QKSFXMQZMNWUKN-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1F ZINC000184770170 496525335 /nfs/dbraw/zinc/52/53/35/496525335.db2.gz SFEWDYVZNPGJMS-UHFFFAOYSA-N 0 2 361.354 3.391 20 5 FGBDLN COc1ccc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184769985 496525805 /nfs/dbraw/zinc/52/58/05/496525805.db2.gz BDNNRMQDTMNSMS-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000184857541 496561089 /nfs/dbraw/zinc/56/10/89/496561089.db2.gz GZCAYSCFTQQQDT-AWEZNQCLSA-N 0 2 354.362 3.178 20 5 FGBDLN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000158106740 496629554 /nfs/dbraw/zinc/62/95/54/496629554.db2.gz LHJGPNLJPLOVME-UHFFFAOYSA-N 0 2 361.301 3.048 20 5 FGBDLN Cc1nccc(-c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)n1 ZINC000185043477 496633940 /nfs/dbraw/zinc/63/39/40/496633940.db2.gz HDIDUWUTKOEMER-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000166153607 496677906 /nfs/dbraw/zinc/67/79/06/496677906.db2.gz LKNZZKHUVCWZJQ-UHFFFAOYSA-N 0 2 371.393 3.167 20 5 FGBDLN O=C(C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000182140403 496684883 /nfs/dbraw/zinc/68/48/83/496684883.db2.gz CBZZQLYQRPSBAL-CQSZACIVSA-N 0 2 372.352 3.317 20 5 FGBDLN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1C[C@@H]1CCCO1 ZINC000194903846 496755904 /nfs/dbraw/zinc/75/59/04/496755904.db2.gz FYPKQWMMIADBFL-SCLBCKFNSA-N 0 2 369.377 3.046 20 5 FGBDLN Cc1nc2cc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc2o1 ZINC000189236709 497055400 /nfs/dbraw/zinc/05/54/00/497055400.db2.gz ZEYVZUGZSAVELB-UHFFFAOYSA-N 0 2 361.379 3.462 20 5 FGBDLN O=C(Nc1cc(Br)ccc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000236562541 497116930 /nfs/dbraw/zinc/11/69/30/497116930.db2.gz OCZDJRIBEGNCDZ-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN COc1cc(C)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000278629213 497172966 /nfs/dbraw/zinc/17/29/66/497172966.db2.gz XWNJWGZFFJJSMO-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)cc1[N+](=O)[O-] ZINC000194785143 497770042 /nfs/dbraw/zinc/77/00/42/497770042.db2.gz SWRQLKYCVRKYAO-UHFFFAOYSA-N 0 2 366.399 3.135 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000194801188 497775476 /nfs/dbraw/zinc/77/54/76/497775476.db2.gz WHQQWFDSVSDBEU-UHFFFAOYSA-N 0 2 374.806 3.083 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000572643017 506018771 /nfs/dbraw/zinc/01/87/71/506018771.db2.gz GKOWUVFIZYETDP-UHFFFAOYSA-N 0 2 353.425 3.292 20 5 FGBDLN Cc1ccccc1[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@H](C)CO1 ZINC000331499766 498351624 /nfs/dbraw/zinc/35/16/24/498351624.db2.gz HDCWYUHLYOJHPA-CXAGYDPISA-N 0 2 356.378 3.211 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1F ZINC000579063054 506084746 /nfs/dbraw/zinc/08/47/46/506084746.db2.gz VNJNKJGEACGOPX-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000322686777 498818383 /nfs/dbraw/zinc/81/83/83/498818383.db2.gz NNRJKYHNDJCILD-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN COc1ccc(C)cc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000581943787 506096218 /nfs/dbraw/zinc/09/62/18/506096218.db2.gz YJOYEPZICLOPDT-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OCc2ccc(F)cc2)CC1 ZINC000367752947 499230919 /nfs/dbraw/zinc/23/09/19/499230919.db2.gz JBOPJHPZAGSEDX-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723813 499359210 /nfs/dbraw/zinc/35/92/10/499359210.db2.gz NWAJNASUXRJJFU-MGPUTAFESA-N 0 2 371.437 3.092 20 5 FGBDLN COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000371723813 499359212 /nfs/dbraw/zinc/35/92/12/499359212.db2.gz NWAJNASUXRJJFU-MGPUTAFESA-N 0 2 371.437 3.092 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375993300 499574517 /nfs/dbraw/zinc/57/45/17/499574517.db2.gz QGEZCUTZBADUIT-UHFFFAOYSA-N 0 2 359.769 3.278 20 5 FGBDLN O=C(c1cc(F)c(O)c(Cl)c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000576541021 506181811 /nfs/dbraw/zinc/18/18/11/506181811.db2.gz RZBSVYSJBFSTPJ-UHFFFAOYSA-N 0 2 350.733 3.291 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432336214 500500968 /nfs/dbraw/zinc/50/09/68/500500968.db2.gz OVAMDVOJHZTPSV-UHFFFAOYSA-N 0 2 367.390 3.490 20 5 FGBDLN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436991532 500587756 /nfs/dbraw/zinc/58/77/56/500587756.db2.gz YRSNOBNMOIABDE-XQRVVYSFSA-N 0 2 358.335 3.168 20 5 FGBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000443533234 500735436 /nfs/dbraw/zinc/73/54/36/500735436.db2.gz VIJGVOMLNAHBKM-UHFFFAOYSA-N 0 2 350.396 3.399 20 5 FGBDLN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)c1ccc([N+](=O)[O-])cc1O ZINC000436594751 501165622 /nfs/dbraw/zinc/16/56/22/501165622.db2.gz IRSXLEOBYARLQK-GOSISDBHSA-N 0 2 368.389 3.124 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000436674586 501185274 /nfs/dbraw/zinc/18/52/74/501185274.db2.gz QOWZHWBKIDALGQ-MRXNPFEDSA-N 0 2 372.377 3.295 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccsc2)c(Br)c1 ZINC000446988822 501191872 /nfs/dbraw/zinc/19/18/72/501191872.db2.gz JFQFGOJXLKCYKQ-UHFFFAOYSA-N 0 2 363.214 3.220 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCn2c(cc3ccccc32)C1 ZINC000436734303 501199571 /nfs/dbraw/zinc/19/95/71/501199571.db2.gz BEYWQLVNKUYRAM-UHFFFAOYSA-N 0 2 351.362 3.301 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000436794372 501212876 /nfs/dbraw/zinc/21/28/76/501212876.db2.gz VUYZDUWUXIINJZ-ZDUSSCGKSA-N 0 2 362.407 3.183 20 5 FGBDLN O=C(NCc1nc(-c2ccccc2F)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000436833512 501218688 /nfs/dbraw/zinc/21/86/88/501218688.db2.gz JTQBVZIVRPNBSZ-UHFFFAOYSA-N 0 2 373.365 3.493 20 5 FGBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(OC)c(OC)c1 ZINC000436866194 501224231 /nfs/dbraw/zinc/22/42/31/501224231.db2.gz WEMJUPWIQQUTJE-AWEZNQCLSA-N 0 2 360.366 3.199 20 5 FGBDLN O=C(NCC1(CCOCc2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436922093 501233114 /nfs/dbraw/zinc/23/31/14/501233114.db2.gz WJOUPDROADNSCW-UHFFFAOYSA-N 0 2 370.405 3.417 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2csc(-c3ccc(F)cc3)n2)[nH]1 ZINC000486072307 502037619 /nfs/dbraw/zinc/03/76/19/502037619.db2.gz DCNQYCLYNGWBOS-WAYWQWQTSA-N 0 2 360.326 3.229 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2Cl)[nH]1 ZINC000486107320 502049073 /nfs/dbraw/zinc/04/90/73/502049073.db2.gz YCEZOGIKXBYUDB-RJRFIUFISA-N 0 2 372.562 3.382 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000478704860 502063520 /nfs/dbraw/zinc/06/35/20/502063520.db2.gz QHIMLWBSTXPILY-SNVBAGLBSA-N 0 2 364.427 3.316 20 5 FGBDLN CCc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1[N+](=O)[O-] ZINC000479762612 502369523 /nfs/dbraw/zinc/36/95/23/502369523.db2.gz COAWPVIDKXGRCI-UHFFFAOYSA-N 0 2 373.319 3.473 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnc(Oc2ccccc2)cn1 ZINC000483443255 502394696 /nfs/dbraw/zinc/39/46/96/502394696.db2.gz RXDWCZAPVJWKQM-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN O=C(Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)c1ccco1 ZINC000469445969 502422448 /nfs/dbraw/zinc/42/24/48/502422448.db2.gz JBVYZFSMFWSYRV-UHFFFAOYSA-N 0 2 367.317 3.398 20 5 FGBDLN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000469711051 502511298 /nfs/dbraw/zinc/51/12/98/502511298.db2.gz ACJXOHNBFWKFIZ-JTQLQIEISA-N 0 2 350.758 3.151 20 5 FGBDLN C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC000469711058 502511909 /nfs/dbraw/zinc/51/19/09/502511909.db2.gz ACJXOHNBFWKFIZ-SNVBAGLBSA-N 0 2 350.758 3.151 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473756755 502698540 /nfs/dbraw/zinc/69/85/40/502698540.db2.gz CMZWIUJNQXNFEX-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505235145 502874678 /nfs/dbraw/zinc/87/46/78/502874678.db2.gz GCJQCQTUCNMXRK-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1OC ZINC000509621152 502950585 /nfs/dbraw/zinc/95/05/85/502950585.db2.gz QADADXWXINMZOI-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN CC(C)n1c(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc2ccccc21 ZINC000509904874 503009063 /nfs/dbraw/zinc/00/90/63/503009063.db2.gz OSSSLFWJZSQYQI-UHFFFAOYSA-N 0 2 354.366 3.161 20 5 FGBDLN COc1cccc(C(=O)CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000490605443 503202310 /nfs/dbraw/zinc/20/23/10/503202310.db2.gz KJJXUQQONLRROY-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507094721 503229853 /nfs/dbraw/zinc/22/98/53/503229853.db2.gz NQBLRTJPSBSQEN-UHFFFAOYSA-N 0 2 366.255 3.448 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1C ZINC000491610184 503324460 /nfs/dbraw/zinc/32/44/60/503324460.db2.gz OHWOHMKUJUAYEV-GFCCVEGCSA-N 0 2 366.443 3.488 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc2n[nH]cc21 ZINC000499265864 503369277 /nfs/dbraw/zinc/36/92/77/503369277.db2.gz QLNRBKULWMJUFU-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2nc(C3CC3)c(C)o2)cc1[N+](=O)[O-] ZINC000516063158 503439436 /nfs/dbraw/zinc/43/94/36/503439436.db2.gz NPIBXDQPUZOQAQ-UHFFFAOYSA-N 0 2 351.384 3.132 20 5 FGBDLN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000508441517 503494046 /nfs/dbraw/zinc/49/40/46/503494046.db2.gz IPWAMQCXUCPAJK-GFCCVEGCSA-N 0 2 371.393 3.215 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cncnc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000494551623 503562726 /nfs/dbraw/zinc/56/27/26/503562726.db2.gz BUAZRKIREVPSSG-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000512749607 503624881 /nfs/dbraw/zinc/62/48/81/503624881.db2.gz PPGBZAVOZQOVKI-HWPZZCPQSA-N 0 2 364.785 3.460 20 5 FGBDLN CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])C1(C)C ZINC000540588206 503825542 /nfs/dbraw/zinc/82/55/42/503825542.db2.gz WGUFZFIMEBXXCA-CABCVRRESA-N 0 2 350.415 3.356 20 5 FGBDLN CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(Cl)c1O ZINC000547258049 504036790 /nfs/dbraw/zinc/03/67/90/504036790.db2.gz CUYMLZOAZOHNCI-UHFFFAOYSA-N 0 2 352.730 3.310 20 5 FGBDLN O=c1nc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)[nH]c2ccsc21 ZINC000538657891 504317259 /nfs/dbraw/zinc/31/72/59/504317259.db2.gz XVVQVQONLILGJI-UHFFFAOYSA-N 0 2 353.363 3.217 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccn(CCC(C)C)n2)c1 ZINC000542740532 504592861 /nfs/dbraw/zinc/59/28/61/504592861.db2.gz XSOXZBKSZIDLDW-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000536496309 504748377 /nfs/dbraw/zinc/74/83/77/504748377.db2.gz GVVKKGVCULKXGC-NSHDSACASA-N 0 2 364.427 3.441 20 5 FGBDLN CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000549738552 504884990 /nfs/dbraw/zinc/88/49/90/504884990.db2.gz LDGNTMICNXCUBT-UHFFFAOYSA-N 0 2 373.365 3.161 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000583040727 506555148 /nfs/dbraw/zinc/55/51/48/506555148.db2.gz DFVUGVMSGUNXCK-KRWDZBQOSA-N 0 2 366.295 3.290 20 5 FGBDLN Cc1c(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cccc1C(=O)[O-] ZINC000603568842 506559776 /nfs/dbraw/zinc/55/97/76/506559776.db2.gz JPTAZTXULPCCEY-UHFFFAOYSA-N 0 2 366.333 3.039 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1CCCOC1 ZINC000599751779 506616749 /nfs/dbraw/zinc/61/67/49/506616749.db2.gz ZJVHNJXBQDBXFC-AWEZNQCLSA-N 0 2 373.409 3.398 20 5 FGBDLN O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1c1ncccc1C(F)(F)F ZINC000603921018 506658060 /nfs/dbraw/zinc/65/80/60/506658060.db2.gz LBUFASIOGPCMEM-UHFFFAOYSA-N 0 2 350.256 3.150 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)cc2cccnc21 ZINC000603967833 506676265 /nfs/dbraw/zinc/67/62/65/506676265.db2.gz BOWOQCJQQUZZOV-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000593738489 506754803 /nfs/dbraw/zinc/75/48/03/506754803.db2.gz TUZVYPGXPMCAEW-SCLBCKFNSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](c2ccccc2)CO1 ZINC000593738489 506754807 /nfs/dbraw/zinc/75/48/07/506754807.db2.gz TUZVYPGXPMCAEW-SCLBCKFNSA-N 0 2 356.378 3.255 20 5 FGBDLN CCOCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000600448275 506959229 /nfs/dbraw/zinc/95/92/29/506959229.db2.gz RMSCRCBJDZSQCB-QGZVFWFLSA-N 0 2 370.405 3.467 20 5 FGBDLN CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000610359958 507211764 /nfs/dbraw/zinc/21/17/64/507211764.db2.gz DRACRRYDTMKFMY-UHFFFAOYSA-N 0 2 372.377 3.437 20 5 FGBDLN CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000594724843 507255055 /nfs/dbraw/zinc/25/50/55/507255055.db2.gz YZVJYLUADIALHV-NSHDSACASA-N 0 2 365.411 3.276 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(C=Cc3ccccc3O2)CC1 ZINC000598501606 507458610 /nfs/dbraw/zinc/45/86/10/507458610.db2.gz KGKYQDFHWQIEMT-UHFFFAOYSA-N 0 2 366.373 3.381 20 5 FGBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1C ZINC000598714132 507565144 /nfs/dbraw/zinc/56/51/44/507565144.db2.gz POSIAVKNMANOCA-NSHDSACASA-N 0 2 366.443 3.488 20 5 FGBDLN O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)ccc1F ZINC000739501361 600406225 /nfs/dbraw/zinc/40/62/25/600406225.db2.gz XIPPEQIQXPPVKC-CQSZACIVSA-N 0 2 356.712 3.442 20 5 FGBDLN COc1nc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2s1 ZINC000790071107 723102626 /nfs/dbraw/zinc/10/26/26/723102626.db2.gz AOUPUDPSJUEGRE-UHFFFAOYSA-N 0 2 371.421 3.075 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2O)cc1[N+](=O)[O-] ZINC000765103514 723479845 /nfs/dbraw/zinc/47/98/45/723479845.db2.gz PPFHVPAUWWDDTM-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN C[C@@H](O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000795388940 723587495 /nfs/dbraw/zinc/58/74/95/723587495.db2.gz SCVLDMCIYDVPBX-MRVPVSSYSA-N 0 2 374.777 3.241 20 5 FGBDLN O=C(OCc1csc([N+](=O)[O-])c1)c1nn(-c2ccccc2F)cc1O ZINC000801381421 724298424 /nfs/dbraw/zinc/29/84/24/724298424.db2.gz JEZHVDFBXIWENT-UHFFFAOYSA-N 0 2 363.326 3.044 20 5 FGBDLN O=C(Nc1cc(Cl)c(O)cc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000805258080 725060016 /nfs/dbraw/zinc/06/00/16/725060016.db2.gz CJJVIEGFCSSFPS-UHFFFAOYSA-N 0 2 354.677 3.074 20 5 FGBDLN COc1ccc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000013948019 539593448 /nfs/dbraw/zinc/59/34/48/539593448.db2.gz JIDJZHAMWUIVLU-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN CCc1nc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)sc1C ZINC000576992243 505639907 /nfs/dbraw/zinc/63/99/07/505639907.db2.gz HNEBHFMRGUDCSG-UHFFFAOYSA-N 0 2 355.441 3.285 20 5 FGBDLN Cc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1[N+](=O)[O-] ZINC000081731154 493947504 /nfs/dbraw/zinc/94/75/04/493947504.db2.gz UBXYQPSJRBVKRB-UHFFFAOYSA-N 0 2 359.292 3.219 20 5 FGBDLN CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000006800764 493980791 /nfs/dbraw/zinc/98/07/91/493980791.db2.gz QLBIWWQHBRBOSF-UHFFFAOYSA-N 0 2 350.396 3.399 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC)cc1 ZINC000007746025 494040681 /nfs/dbraw/zinc/04/06/81/494040681.db2.gz HVOHIMBYCWFXEI-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(N2CCCC2)c1 ZINC000088460406 494240552 /nfs/dbraw/zinc/24/05/52/494240552.db2.gz CDOBWUHFQRTQAM-CYBMUJFWSA-N 0 2 355.394 3.392 20 5 FGBDLN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000089530915 494322162 /nfs/dbraw/zinc/32/21/62/494322162.db2.gz JJAMBEXZEVWEHD-IINYFYTJSA-N 0 2 355.350 3.147 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000016100737 494377451 /nfs/dbraw/zinc/37/74/51/494377451.db2.gz XTNDSBGEPHXJCM-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000016122643 494379318 /nfs/dbraw/zinc/37/93/18/494379318.db2.gz MJLKEDQMESBEEQ-UHFFFAOYSA-N 0 2 361.423 3.304 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000126094697 494635128 /nfs/dbraw/zinc/63/51/28/494635128.db2.gz YHUXQEIDZFQQKO-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000108639893 494755530 /nfs/dbraw/zinc/75/55/30/494755530.db2.gz CRQTZWYCQKUWRO-UHFFFAOYSA-N 0 2 366.443 3.026 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000093930878 494936302 /nfs/dbraw/zinc/93/63/02/494936302.db2.gz STCQCPFJFWFZLS-UHFFFAOYSA-N 0 2 362.816 3.257 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000119550230 495188458 /nfs/dbraw/zinc/18/84/58/495188458.db2.gz HLOFSAWSWWGQOO-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000568740054 505766728 /nfs/dbraw/zinc/76/67/28/505766728.db2.gz GUDNIXVMCVURHY-UHFFFAOYSA-N 0 2 372.352 3.175 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c2cccnc12 ZINC000129618152 495271109 /nfs/dbraw/zinc/27/11/09/495271109.db2.gz OJZFUQHUTAVLRI-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2[nH]1 ZINC000130128544 495345671 /nfs/dbraw/zinc/34/56/71/495345671.db2.gz VBTGVIDSVIVWDV-INIZCTEOSA-N 0 2 354.366 3.304 20 5 FGBDLN O=C(Cc1ccc(F)c(Br)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124915082 495363745 /nfs/dbraw/zinc/36/37/45/495363745.db2.gz YLXMHTHSDIHQCN-UHFFFAOYSA-N 0 2 369.146 3.383 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000137774850 495450214 /nfs/dbraw/zinc/45/02/14/495450214.db2.gz QTYWWDGGWSBGAK-UHFFFAOYSA-N 0 2 366.443 3.255 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000185515992 495607038 /nfs/dbraw/zinc/60/70/38/495607038.db2.gz VBYHYGNYFDUDSS-GFCCVEGCSA-N 0 2 362.769 3.247 20 5 FGBDLN CC(C)(NC(=O)c1cc(F)c(F)c(O)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000180134723 495873239 /nfs/dbraw/zinc/87/32/39/495873239.db2.gz OVVYOGITHYIYAQ-UHFFFAOYSA-N 0 2 354.284 3.383 20 5 FGBDLN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160075559 495878312 /nfs/dbraw/zinc/87/83/12/495878312.db2.gz AEBUCOZPEWQSLA-UHFFFAOYSA-N 0 2 369.377 3.179 20 5 FGBDLN CCCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000183203829 495879553 /nfs/dbraw/zinc/87/95/53/495879553.db2.gz HFZLADORLYTYCK-UHFFFAOYSA-N 0 2 361.832 3.458 20 5 FGBDLN Cc1ccnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)n1 ZINC000183629742 496054723 /nfs/dbraw/zinc/05/47/23/496054723.db2.gz VOLLXSLVXZIKMA-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000183912243 496159354 /nfs/dbraw/zinc/15/93/54/496159354.db2.gz OOVFRHLFRGFVAV-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1C ZINC000178124405 496338809 /nfs/dbraw/zinc/33/88/09/496338809.db2.gz ZGNGJEOFLZFOEY-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(C2CCCCC2)no1 ZINC000187489871 496463048 /nfs/dbraw/zinc/46/30/48/496463048.db2.gz CWYOMNFQRZVHAD-SNVBAGLBSA-N 0 2 360.370 3.222 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184615880 496465787 /nfs/dbraw/zinc/46/57/87/496465787.db2.gz JNALDWWFSBAIOU-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000184772114 496525023 /nfs/dbraw/zinc/52/50/23/496525023.db2.gz MEMTWDDSRCGABL-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000187755058 496559061 /nfs/dbraw/zinc/55/90/61/496559061.db2.gz UGNVJMMWPUUBRO-XHDPSFHLSA-N 0 2 362.407 3.090 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000187762739 496562042 /nfs/dbraw/zinc/56/20/42/496562042.db2.gz DLNLJWHNZCKVPZ-QGZVFWFLSA-N 0 2 370.405 3.164 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000187840982 496591279 /nfs/dbraw/zinc/59/12/79/496591279.db2.gz NUYXNXIWSWXOEA-HOCLYGCPSA-N 0 2 360.410 3.445 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000182116140 496675788 /nfs/dbraw/zinc/67/57/88/496675788.db2.gz FGHSLWOFWRJVAU-GUYCJALGSA-N 0 2 374.393 3.402 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000182139903 496684919 /nfs/dbraw/zinc/68/49/19/496684919.db2.gz PTMAJRFVEKMTQT-RDTXWAMCSA-N 0 2 374.368 3.168 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000185308323 496727155 /nfs/dbraw/zinc/72/71/55/496727155.db2.gz FSNUZJSTXGLKAH-PBHICJAKSA-N 0 2 374.368 3.168 20 5 FGBDLN O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000194926982 496763490 /nfs/dbraw/zinc/76/34/90/496763490.db2.gz NTVYKVFHDRJPKQ-UHFFFAOYSA-N 0 2 372.352 3.175 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc(C2CCCCC2)o1 ZINC000194784542 497770189 /nfs/dbraw/zinc/77/01/89/497770189.db2.gz UUDAZSRGHDFKLK-UHFFFAOYSA-N 0 2 366.399 3.135 20 5 FGBDLN Cc1cc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000263543299 497798130 /nfs/dbraw/zinc/79/81/30/497798130.db2.gz FDZFUCFUFHBKAA-IFXJQAMLSA-N 0 2 368.393 3.051 20 5 FGBDLN Cc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1OC1CCOCC1 ZINC000280759537 497887492 /nfs/dbraw/zinc/88/74/92/497887492.db2.gz AVHGDESOKAZMSS-UHFFFAOYSA-N 0 2 372.377 3.419 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)[C@@H]1C[C@H]1C ZINC000294221734 498624254 /nfs/dbraw/zinc/62/42/54/498624254.db2.gz QUVJHMMYMJTHJZ-BDJLRTHQSA-N 0 2 369.377 3.314 20 5 FGBDLN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]2C ZINC000332527083 498713726 /nfs/dbraw/zinc/71/37/26/498713726.db2.gz PIWDHIMHQBIDEI-VXGBXAGGSA-N 0 2 356.378 3.457 20 5 FGBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000319764669 498804918 /nfs/dbraw/zinc/80/49/18/498804918.db2.gz DFJPMPQFXLAMIE-UHFFFAOYSA-N 0 2 354.771 3.252 20 5 FGBDLN O=C(c1cccs1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000378535032 499529363 /nfs/dbraw/zinc/52/93/63/499529363.db2.gz DXCXXAWFNUXMAY-UHFFFAOYSA-N 0 2 360.391 3.097 20 5 FGBDLN O=C(NCc1nc(-c2ccccc2F)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376142723 499586282 /nfs/dbraw/zinc/58/62/82/499586282.db2.gz RFZIPIFSWXRTGJ-UHFFFAOYSA-N 0 2 373.365 3.493 20 5 FGBDLN O=C(NCc1ccc(N2CCCCCC2)nc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377661900 499716700 /nfs/dbraw/zinc/71/67/00/499716700.db2.gz KGPYGPZSVRFNBY-UHFFFAOYSA-N 0 2 370.409 3.006 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000377783081 499732890 /nfs/dbraw/zinc/73/28/90/499732890.db2.gz NWQYYENXDOBWSI-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000427088921 500352093 /nfs/dbraw/zinc/35/20/93/500352093.db2.gz LHYQWCXFKZURCA-LBPRGKRZSA-N 0 2 368.311 3.451 20 5 FGBDLN Cc1cn(C2CCCCC2)nc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442244929 500575002 /nfs/dbraw/zinc/57/50/02/500575002.db2.gz UDNJCNQDSVWQLO-UHFFFAOYSA-N 0 2 364.427 3.406 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2)c1 ZINC000436968183 500581486 /nfs/dbraw/zinc/58/14/86/500581486.db2.gz SUXJGWFGXMFHPF-ZDUSSCGKSA-N 0 2 355.394 3.392 20 5 FGBDLN Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000442337124 500582035 /nfs/dbraw/zinc/58/20/35/500582035.db2.gz UJEVAZPUBUPETA-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN COc1ccc(C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000436990684 500587813 /nfs/dbraw/zinc/58/78/13/500587813.db2.gz PHPRCTDDUYCYQI-OAHLLOKOSA-N 0 2 370.405 3.404 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OCC(F)F)cn3)no2)cc1O ZINC000442681979 500610875 /nfs/dbraw/zinc/61/08/75/500610875.db2.gz LCOWOLLFIPWTGU-UHFFFAOYSA-N 0 2 364.264 3.056 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437379295 500638242 /nfs/dbraw/zinc/63/82/42/500638242.db2.gz YGJWGSWIIJLQFG-JOYOIKCWSA-N 0 2 352.268 3.004 20 5 FGBDLN O=C(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000447717330 500651600 /nfs/dbraw/zinc/65/16/00/500651600.db2.gz WQUAPFXFJHGXHF-ZDUSSCGKSA-N 0 2 358.247 3.315 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2ccc(O)cc21 ZINC000439981088 500961885 /nfs/dbraw/zinc/96/18/85/500961885.db2.gz QDPQBGYPYJULPW-UHFFFAOYSA-N 0 2 374.374 3.263 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(C)c(OC)cc2C)c([N+](=O)[O-])c1 ZINC000435718298 501016558 /nfs/dbraw/zinc/01/65/58/501016558.db2.gz CGYACURNABWNHW-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN O=C(N=c1cccn[nH]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440619644 501029669 /nfs/dbraw/zinc/02/96/69/501029669.db2.gz XQOQMMQGRBGDIO-UHFFFAOYSA-N 0 2 352.375 3.210 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000436662473 501181447 /nfs/dbraw/zinc/18/14/47/501181447.db2.gz DAMMQEXKVZDHAG-AWEZNQCLSA-N 0 2 356.334 3.006 20 5 FGBDLN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436784353 501211080 /nfs/dbraw/zinc/21/10/80/501211080.db2.gz XAGARCXIZPKKSG-UHFFFAOYSA-N 0 2 372.768 3.122 20 5 FGBDLN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cnn1-c1ccccc1 ZINC000436836943 501218880 /nfs/dbraw/zinc/21/88/80/501218880.db2.gz FBFFGAOCXYLDML-UHFFFAOYSA-N 0 2 352.350 3.301 20 5 FGBDLN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436864466 501223494 /nfs/dbraw/zinc/22/34/94/501223494.db2.gz ZHEOJDSRFJYETE-UHFFFAOYSA-N 0 2 355.350 3.070 20 5 FGBDLN O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000436888088 501227788 /nfs/dbraw/zinc/22/77/88/501227788.db2.gz ZULSCAKBGUKMIB-UHFFFAOYSA-N 0 2 357.347 3.382 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436911701 501231509 /nfs/dbraw/zinc/23/15/09/501231509.db2.gz FXJUTPCDVJZBLM-GXTWGEPZSA-N 0 2 364.304 3.188 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc([C@H]3CCOC3)cc2)c([N+](=O)[O-])c1 ZINC000451057330 501242406 /nfs/dbraw/zinc/24/24/06/501242406.db2.gz DGOKAIYMPWYNNH-AWEZNQCLSA-N 0 2 362.407 3.208 20 5 FGBDLN CCCn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C1CC1 ZINC000451095749 501245319 /nfs/dbraw/zinc/24/53/19/501245319.db2.gz USVFCGAJASIRSV-UHFFFAOYSA-N 0 2 364.427 3.188 20 5 FGBDLN Cc1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)s1 ZINC000451098485 501245470 /nfs/dbraw/zinc/24/54/70/501245470.db2.gz XKMJYZDCGQSTSC-UHFFFAOYSA-N 0 2 370.456 3.289 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000485393871 501807384 /nfs/dbraw/zinc/80/73/84/501807384.db2.gz DIKZPDPBZRVADF-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000463790676 501822889 /nfs/dbraw/zinc/82/28/89/501822889.db2.gz USBWNLUAOASEHE-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Br)c(Cl)c2)[nH]1 ZINC000486075038 502038138 /nfs/dbraw/zinc/03/81/38/502038138.db2.gz HZLMHMADTUECLX-DUXPYHPUSA-N 0 2 372.562 3.382 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OC(F)F)c(Cl)c2)[nH]1 ZINC000486103893 502047942 /nfs/dbraw/zinc/04/79/42/502047942.db2.gz OHMUSINUHKMSLJ-IWQZZHSRSA-N 0 2 359.672 3.221 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000478690500 502059168 /nfs/dbraw/zinc/05/91/68/502059168.db2.gz YMWCKRYLUIUWPM-SNVBAGLBSA-N 0 2 364.427 3.316 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000478703684 502063242 /nfs/dbraw/zinc/06/32/42/502063242.db2.gz MNKWVWALQKDRJN-SNVBAGLBSA-N 0 2 364.427 3.316 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000471955117 502182816 /nfs/dbraw/zinc/18/28/16/502182816.db2.gz AMODHXHJKHBGCH-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)ccc2cccnc21 ZINC000476519741 502511975 /nfs/dbraw/zinc/51/19/75/502511975.db2.gz YQVDLNIXQCGQCM-UHFFFAOYSA-N 0 2 373.390 3.261 20 5 FGBDLN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000509396078 502891447 /nfs/dbraw/zinc/89/14/47/502891447.db2.gz HEXLYOAGRNKZDO-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN CC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2s1 ZINC000509809650 502989618 /nfs/dbraw/zinc/98/96/18/502989618.db2.gz NUOCKYWRMWKVGR-UHFFFAOYSA-N 0 2 372.362 3.121 20 5 FGBDLN CC(=O)Nc1ccc2nc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])sc2c1 ZINC000510828797 503200484 /nfs/dbraw/zinc/20/04/84/503200484.db2.gz SQXJNCQGPDNBAQ-UHFFFAOYSA-N 0 2 372.362 3.121 20 5 FGBDLN CO[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000499877533 503499902 /nfs/dbraw/zinc/49/99/02/503499902.db2.gz OSUIHBWENSZGRJ-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN COCCN(CCCc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000540547511 503813432 /nfs/dbraw/zinc/81/34/32/503813432.db2.gz XZOCYSRDGJYFJX-UHFFFAOYSA-N 0 2 358.394 3.022 20 5 FGBDLN O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000538312348 504201635 /nfs/dbraw/zinc/20/16/35/504201635.db2.gz QOHURMJJUSOJBQ-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cnn1CC(C)C ZINC000544646608 504203476 /nfs/dbraw/zinc/20/34/76/504203476.db2.gz RYQCBJABNKSAGE-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN COc1ccc(OC)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000539112191 504477880 /nfs/dbraw/zinc/47/78/80/504477880.db2.gz REUASOXKRBDCCU-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000539397833 504556212 /nfs/dbraw/zinc/55/62/12/504556212.db2.gz PMBFUILAKBRACK-LLVKDONJSA-N 0 2 352.416 3.180 20 5 FGBDLN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539446648 504574836 /nfs/dbraw/zinc/57/48/36/504574836.db2.gz KOQQFYIQQIYJCA-AWEZNQCLSA-N 0 2 356.378 3.156 20 5 FGBDLN COc1ccc(C(=O)C[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000542767139 504601597 /nfs/dbraw/zinc/60/15/97/504601597.db2.gz XVMHILAHHYWJIV-NSHDSACASA-N 0 2 358.350 3.157 20 5 FGBDLN O=C(c1cccc(Br)c1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000539846815 504716604 /nfs/dbraw/zinc/71/66/04/504716604.db2.gz LNNJELUZJVHQBS-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000521446571 504739778 /nfs/dbraw/zinc/73/97/78/504739778.db2.gz FSPYGPPKMDVHJX-NSHDSACASA-N 0 2 364.345 3.006 20 5 FGBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000521446571 504739783 /nfs/dbraw/zinc/73/97/83/504739783.db2.gz FSPYGPPKMDVHJX-NSHDSACASA-N 0 2 364.345 3.006 20 5 FGBDLN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000559289211 504822079 /nfs/dbraw/zinc/82/20/79/504822079.db2.gz UDYQKCIMTPACGG-MRXNPFEDSA-N 0 2 356.378 3.459 20 5 FGBDLN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560647045 505152668 /nfs/dbraw/zinc/15/26/68/505152668.db2.gz SCVVPXRPOARJTG-ZWKOTPCHSA-N 0 2 370.405 3.414 20 5 FGBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cccs2)c1 ZINC000551113887 505160566 /nfs/dbraw/zinc/16/05/66/505160566.db2.gz LATIQCNKEZOJAS-UHFFFAOYSA-N 0 2 363.214 3.220 20 5 FGBDLN COc1ccc(C[N@@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000566510321 505192221 /nfs/dbraw/zinc/19/22/21/505192221.db2.gz OXPBKNITTXABLE-HOTGVXAUSA-N 0 2 356.378 3.394 20 5 FGBDLN COc1ccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000566510321 505192224 /nfs/dbraw/zinc/19/22/24/505192224.db2.gz OXPBKNITTXABLE-HOTGVXAUSA-N 0 2 356.378 3.394 20 5 FGBDLN O=C([O-])c1ccccc1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593289473 506514777 /nfs/dbraw/zinc/51/47/77/506514777.db2.gz WWMLKTPBULWDFV-UHFFFAOYSA-N 0 2 356.378 3.378 20 5 FGBDLN CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000603595538 506571366 /nfs/dbraw/zinc/57/13/66/506571366.db2.gz PWKUMJVXPLNMKR-NSHDSACASA-N 0 2 360.366 3.199 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c(C)c1 ZINC000603983668 506680307 /nfs/dbraw/zinc/68/03/07/506680307.db2.gz KRASHJMOFYHOHI-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc([C@H](C)OC)c1 ZINC000608875646 506733338 /nfs/dbraw/zinc/73/33/38/506733338.db2.gz PUHBFEQOAIKZSD-NSHDSACASA-N 0 2 366.395 3.112 20 5 FGBDLN CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2cc(F)ccc2O1 ZINC000593816472 506787474 /nfs/dbraw/zinc/78/74/74/506787474.db2.gz XWPKFSMCQMBYRJ-ZDUSSCGKSA-N 0 2 360.341 3.472 20 5 FGBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000600227341 506860007 /nfs/dbraw/zinc/86/00/07/506860007.db2.gz GYHXCWXMHLJDIX-SECBINFHSA-N 0 2 364.452 3.039 20 5 FGBDLN CCOc1ccc(C[C@@H](C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000590891913 507019295 /nfs/dbraw/zinc/01/92/95/507019295.db2.gz VSLDVDOIQGOZSG-CYBMUJFWSA-N 0 2 358.394 3.308 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)C)c(C)s1 ZINC000594726811 507256342 /nfs/dbraw/zinc/25/63/42/507256342.db2.gz UQMRVAKLSRUKPC-UHFFFAOYSA-N 0 2 371.440 3.293 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]nc1C(C)C ZINC000592385056 507631701 /nfs/dbraw/zinc/63/17/01/507631701.db2.gz MFEKHJCDRZITQR-UHFFFAOYSA-N 0 2 352.416 3.167 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1[nH]nc(C(C)C)c1C ZINC000592385037 507632104 /nfs/dbraw/zinc/63/21/04/507632104.db2.gz KYTQVDLYXIMNMW-UHFFFAOYSA-N 0 2 352.416 3.113 20 5 FGBDLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000736824081 600091412 /nfs/dbraw/zinc/09/14/12/600091412.db2.gz NFBSKOPBROIHJC-ZDUSSCGKSA-N 0 2 373.384 3.143 20 5 FGBDLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000736824081 600091416 /nfs/dbraw/zinc/09/14/16/600091416.db2.gz NFBSKOPBROIHJC-ZDUSSCGKSA-N 0 2 373.384 3.143 20 5 FGBDLN O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)ccc1F ZINC000739501358 600406144 /nfs/dbraw/zinc/40/61/44/600406144.db2.gz XIPPEQIQXPPVKC-AWEZNQCLSA-N 0 2 356.712 3.442 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)cs1 ZINC000120142407 700649044 /nfs/dbraw/zinc/64/90/44/700649044.db2.gz IHHOLGJTFLWOOO-UHFFFAOYSA-N 0 2 374.450 3.037 20 5 FGBDLN CC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000126179971 700745060 /nfs/dbraw/zinc/74/50/60/700745060.db2.gz GLGYJCAYAPOHEE-UHFFFAOYSA-N 0 2 352.343 3.046 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(C)c1 ZINC000172891445 705433820 /nfs/dbraw/zinc/43/38/20/705433820.db2.gz QRBYUGTVQVGLQC-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1[N+](=O)[O-] ZINC000179372428 705699340 /nfs/dbraw/zinc/69/93/40/705699340.db2.gz UZEHCXGVUHHIJN-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN COc1cc(C)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1C ZINC000619468322 714840244 /nfs/dbraw/zinc/84/02/44/714840244.db2.gz SXYHYBGCGXIJGO-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN COc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC(F)F ZINC000753702709 722909916 /nfs/dbraw/zinc/90/99/16/722909916.db2.gz MSOPZNRZYDEXNY-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000766331149 723568620 /nfs/dbraw/zinc/56/86/20/723568620.db2.gz GGCZVDKTHAVSKI-UHFFFAOYSA-N 0 2 372.834 3.210 20 5 FGBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2[nH]1 ZINC000796387034 723635797 /nfs/dbraw/zinc/63/57/97/723635797.db2.gz XLUFYNQPNSOEPR-MRVPVSSYSA-N 0 2 360.757 3.321 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cs1 ZINC000768850116 723669546 /nfs/dbraw/zinc/66/95/46/723669546.db2.gz QIKFUVOSGWKHED-UHFFFAOYSA-N 0 2 359.454 3.183 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1sc(N2CCCC2)nc1Cl ZINC000770857043 723722036 /nfs/dbraw/zinc/72/20/36/723722036.db2.gz PAHPMKHSBKEMIA-UHFFFAOYSA-N 0 2 368.802 3.263 20 5 FGBDLN O=c1[nH]nc(C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)[nH]1 ZINC000798215768 723914490 /nfs/dbraw/zinc/91/44/90/723914490.db2.gz LSYIZQPXJZHERC-UHFFFAOYSA-N 0 2 358.185 3.109 20 5 FGBDLN CCOc1ccc(Br)cc1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842490148 730508094 /nfs/dbraw/zinc/50/80/94/730508094.db2.gz DMBQDVZIJBSBFI-PSASIEDQSA-N 0 2 354.160 3.030 20 5 FGBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(C2(c3ccccc3Br)CC2)no1 ZINC000842506272 730510789 /nfs/dbraw/zinc/51/07/89/730510789.db2.gz HUOOADKFCOQXML-LDYMZIIASA-N 0 2 350.172 3.045 20 5 FGBDLN COc1ccc(C)cc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060436871 493932954 /nfs/dbraw/zinc/93/29/54/493932954.db2.gz JAQFLLRTPJHNAK-UHFFFAOYSA-N 0 2 350.396 3.329 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)cc1 ZINC000069676035 493996048 /nfs/dbraw/zinc/99/60/48/493996048.db2.gz YPROLVMWBCXTAV-UHFFFAOYSA-N 0 2 355.375 3.458 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000007054279 493996698 /nfs/dbraw/zinc/99/66/98/493996698.db2.gz UTWVRWMBKDDPQE-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN O=C(Nc1ccc(Br)cc1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077022755 494010627 /nfs/dbraw/zinc/01/06/27/494010627.db2.gz XKUWINAJPOXKDJ-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089540849 494321948 /nfs/dbraw/zinc/32/19/48/494321948.db2.gz IPEFGEYHBYTCAJ-YGRLFVJLSA-N 0 2 355.350 3.147 20 5 FGBDLN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089540852 494322018 /nfs/dbraw/zinc/32/20/18/494322018.db2.gz IPEFGEYHBYTCAJ-QMTHXVAHSA-N 0 2 355.350 3.147 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000055555590 494360131 /nfs/dbraw/zinc/36/01/31/494360131.db2.gz CRIPZUSTTNVDLR-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)ccc1C ZINC000066588161 494360349 /nfs/dbraw/zinc/36/03/49/494360349.db2.gz UVWCFBKZJXADIV-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1C ZINC000066588199 494360583 /nfs/dbraw/zinc/36/05/83/494360583.db2.gz IYZSIVFMAUYYSL-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066942115 494442160 /nfs/dbraw/zinc/44/21/60/494442160.db2.gz ILGCLNFGVVICHK-IAGOWNOFSA-N 0 2 360.341 3.090 20 5 FGBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000046015580 494486224 /nfs/dbraw/zinc/48/62/24/494486224.db2.gz KSQTXIIOZKSFRG-UHFFFAOYSA-N 0 2 354.771 3.252 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1OC ZINC000057123446 494648308 /nfs/dbraw/zinc/64/83/08/494648308.db2.gz BGLYENSPEMOHFY-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN COCCn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000092773439 494744137 /nfs/dbraw/zinc/74/41/37/494744137.db2.gz TWCUMQDOILKVEQ-UHFFFAOYSA-N 0 2 355.350 3.154 20 5 FGBDLN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000122112854 494925746 /nfs/dbraw/zinc/92/57/46/494925746.db2.gz OMHSBCOKSVQKTL-UHFFFAOYSA-N 0 2 370.148 3.184 20 5 FGBDLN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000127764308 494993970 /nfs/dbraw/zinc/99/39/70/494993970.db2.gz VZRRKURUFYGMDE-UHFFFAOYSA-N 0 2 365.560 3.096 20 5 FGBDLN O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000133347329 495003573 /nfs/dbraw/zinc/00/35/73/495003573.db2.gz OCKAVMOLGBSOKZ-KDOFPFPSSA-N 0 2 356.378 3.198 20 5 FGBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000123691820 495171397 /nfs/dbraw/zinc/17/13/97/495171397.db2.gz XWAFLJAXTYFKKF-BDAKNGLRSA-N 0 2 370.324 3.133 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(O)c2)c(C(F)(F)F)c1 ZINC000134610963 495175240 /nfs/dbraw/zinc/17/52/40/495175240.db2.gz CHZLYZMZGOHLIZ-UHFFFAOYSA-N 0 2 362.285 3.120 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000125663128 495478718 /nfs/dbraw/zinc/47/87/18/495478718.db2.gz VZGUITUMELCFEY-ZDUSSCGKSA-N 0 2 362.407 3.183 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000179590457 495652497 /nfs/dbraw/zinc/65/24/97/495652497.db2.gz DCFIBXFBEHZAIQ-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183074677 495822878 /nfs/dbraw/zinc/82/28/78/495822878.db2.gz UOMNPUTZDOQOAR-UHFFFAOYSA-N 0 2 367.365 3.392 20 5 FGBDLN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000171342726 495829335 /nfs/dbraw/zinc/82/93/35/495829335.db2.gz HPLYXIKWAALLEA-SECBINFHSA-N 0 2 370.818 3.217 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000160174197 495902399 /nfs/dbraw/zinc/90/23/99/495902399.db2.gz XDZXSJVSRFFHKK-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1Cl ZINC000160547575 495989409 /nfs/dbraw/zinc/98/94/09/495989409.db2.gz LEEXFQCUURUWTL-OAHLLOKOSA-N 0 2 350.758 3.071 20 5 FGBDLN O=C(NCc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183606861 496045014 /nfs/dbraw/zinc/04/50/14/496045014.db2.gz RPVNSFHWPURGNT-UHFFFAOYSA-N 0 2 355.394 3.221 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000183669179 496069795 /nfs/dbraw/zinc/06/97/95/496069795.db2.gz XLLVWDITGQQYEZ-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175040449 496221949 /nfs/dbraw/zinc/22/19/49/496221949.db2.gz QCBHFXZJGHUYAW-UHFFFAOYSA-N 0 2 366.370 3.466 20 5 FGBDLN CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000152694447 496228737 /nfs/dbraw/zinc/22/87/37/496228737.db2.gz DXEIXFQEXUOTKG-OWCLPIDISA-N 0 2 365.474 3.143 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2occ(C)c2c1 ZINC000187078355 496282826 /nfs/dbraw/zinc/28/28/26/496282826.db2.gz JKHISIVALHQTDW-UHFFFAOYSA-N 0 2 362.363 3.459 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)c(Cl)c1 ZINC000172515724 496323452 /nfs/dbraw/zinc/32/34/52/496323452.db2.gz QRBOPLJCAVLISL-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1C ZINC000162502865 496363444 /nfs/dbraw/zinc/36/34/44/496363444.db2.gz JCIDRNLSRIPONA-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000184543924 496431718 /nfs/dbraw/zinc/43/17/18/496431718.db2.gz PLXVIFHSNOBCDO-SUMWQHHRSA-N 0 2 374.393 3.402 20 5 FGBDLN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184636192 496473920 /nfs/dbraw/zinc/47/39/20/496473920.db2.gz BCBJKEHAPMGIEX-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN CC(C)n1c(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc2ccccc21 ZINC000175716758 496512694 /nfs/dbraw/zinc/51/26/94/496512694.db2.gz RKVCGWDETKOWHI-UHFFFAOYSA-N 0 2 368.393 3.204 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000184793989 496535129 /nfs/dbraw/zinc/53/51/29/496535129.db2.gz FPSSNRJEFIRFQW-UHFFFAOYSA-N 0 2 372.221 3.257 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000184834927 496550474 /nfs/dbraw/zinc/55/04/74/496550474.db2.gz DTEJBSXVSFIWIL-UHFFFAOYSA-N 0 2 360.276 3.017 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000187840954 496590752 /nfs/dbraw/zinc/59/07/52/496590752.db2.gz NUYXNXIWSWXOEA-GOEBONIOSA-N 0 2 360.410 3.445 20 5 FGBDLN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166111374 496677939 /nfs/dbraw/zinc/67/79/39/496677939.db2.gz SZIDRYNBOWWQQL-UHFFFAOYSA-N 0 2 356.363 3.380 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000191799333 496892887 /nfs/dbraw/zinc/89/28/87/496892887.db2.gz KJVWDZUNAIMECG-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000192904811 497242469 /nfs/dbraw/zinc/24/24/69/497242469.db2.gz PSWUDANXGRLVHO-UHFFFAOYSA-N 0 2 353.425 3.039 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1C1CCCC1 ZINC000194227884 497608101 /nfs/dbraw/zinc/60/81/01/497608101.db2.gz QVVCGVBESCLVLQ-UHFFFAOYSA-N 0 2 364.427 3.324 20 5 FGBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1OC1CCOCC1 ZINC000272636469 497686686 /nfs/dbraw/zinc/68/66/86/497686686.db2.gz WMGBIUZFJTYDJQ-UHFFFAOYSA-N 0 2 372.377 3.419 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000194745208 497757883 /nfs/dbraw/zinc/75/78/83/497757883.db2.gz BSQZIVQIBPWSHX-NSHDSACASA-N 0 2 369.377 3.140 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000280764830 497888699 /nfs/dbraw/zinc/88/86/99/497888699.db2.gz BGCSPKXFFBPSJH-FZMZJTMJSA-N 0 2 362.407 3.090 20 5 FGBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000569882661 506037717 /nfs/dbraw/zinc/03/77/17/506037717.db2.gz VXIQDBATCCBWBD-UHFFFAOYSA-N 0 2 373.756 3.300 20 5 FGBDLN Cc1nccc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000363204463 498701660 /nfs/dbraw/zinc/70/16/60/498701660.db2.gz CTAAABCMFPIFRV-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]2C ZINC000332527077 498713639 /nfs/dbraw/zinc/71/36/39/498713639.db2.gz PIWDHIMHQBIDEI-NEPJUHHUSA-N 0 2 356.378 3.457 20 5 FGBDLN CN(Cc1ccccc1Br)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000318546550 498798258 /nfs/dbraw/zinc/79/82/58/498798258.db2.gz MGYGLKOLHHFVDO-UHFFFAOYSA-N 0 2 365.183 3.335 20 5 FGBDLN Cc1cc(Cl)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1O ZINC000322142179 498817133 /nfs/dbraw/zinc/81/71/33/498817133.db2.gz BUMMHFCRLUKSNG-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000366814600 499082934 /nfs/dbraw/zinc/08/29/34/499082934.db2.gz BOAWHJVGORXYNZ-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccccn2)cn1 ZINC000367070989 499143685 /nfs/dbraw/zinc/14/36/85/499143685.db2.gz DSOZIIKTRMUVMW-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN CC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCCCCC1 ZINC000372787016 499175372 /nfs/dbraw/zinc/17/53/72/499175372.db2.gz VDDDAKAMHKHGDZ-UHFFFAOYSA-N 0 2 360.370 3.036 20 5 FGBDLN O=C(Nc1nc(-c2c(F)cccc2F)co1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376903663 499645124 /nfs/dbraw/zinc/64/51/24/499645124.db2.gz OMLOUSQKQUXTPV-UHFFFAOYSA-N 0 2 361.260 3.486 20 5 FGBDLN Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)o2)cs1 ZINC000436942923 500575793 /nfs/dbraw/zinc/57/57/93/500575793.db2.gz CXETTYWBFKQJDK-UHFFFAOYSA-N 0 2 359.363 3.255 20 5 FGBDLN CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436948347 500576842 /nfs/dbraw/zinc/57/68/42/500576842.db2.gz GUIDZNFPTWVEGJ-UHFFFAOYSA-N 0 2 357.366 3.081 20 5 FGBDLN O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436952563 500577925 /nfs/dbraw/zinc/57/79/25/500577925.db2.gz XXGLWIFTCXYDDD-DLBZAZTESA-N 0 2 360.341 3.090 20 5 FGBDLN CC1(C)Cc2cccc(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2O1 ZINC000443407384 500719896 /nfs/dbraw/zinc/71/98/96/500719896.db2.gz PRRBCGMGFAABSW-UHFFFAOYSA-N 0 2 366.370 3.248 20 5 FGBDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)Nc2cccc([N+](=O)[O-])c2C)=N1 ZINC000434222526 500812712 /nfs/dbraw/zinc/81/27/12/500812712.db2.gz JUSLMDDIKCRGDT-UHFFFAOYSA-N 0 2 370.340 3.494 20 5 FGBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000439049899 500850814 /nfs/dbraw/zinc/85/08/14/500850814.db2.gz AENPFHDBYAMWLC-NSHDSACASA-N 0 2 370.340 3.116 20 5 FGBDLN COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)c(C)c1OC ZINC000436743454 501201967 /nfs/dbraw/zinc/20/19/67/501201967.db2.gz YFLIZCNMINFXLW-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436872031 501225086 /nfs/dbraw/zinc/22/50/86/501225086.db2.gz RRWLMHFGMWHQJO-INIZCTEOSA-N 0 2 372.377 3.295 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)c1 ZINC000436871173 501225121 /nfs/dbraw/zinc/22/51/21/501225121.db2.gz PYUNYUATTDMLCQ-INIZCTEOSA-N 0 2 372.377 3.295 20 5 FGBDLN CC(C)n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)nc2ccccc21 ZINC000436873145 501225228 /nfs/dbraw/zinc/22/52/28/501225228.db2.gz ZEYTVISGXYBDMV-UHFFFAOYSA-N 0 2 354.366 3.161 20 5 FGBDLN CC(C)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C(F)F)n1 ZINC000436895299 501229178 /nfs/dbraw/zinc/22/91/78/501229178.db2.gz WTFIPNZOXVSEOD-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(CC1)OCCc1ccccc12 ZINC000457138146 501657221 /nfs/dbraw/zinc/65/72/21/501657221.db2.gz MHWDOORJZGVIFS-UHFFFAOYSA-N 0 2 368.389 3.005 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)c1C ZINC000486573623 502194741 /nfs/dbraw/zinc/19/47/41/502194741.db2.gz STBSJFDNDBBYQR-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000468937691 502237176 /nfs/dbraw/zinc/23/71/76/502237176.db2.gz LMQISEAKRBLEBO-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN Cc1cc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461949142 502248502 /nfs/dbraw/zinc/24/85/02/502248502.db2.gz PTENGRQYUGSDPN-VIFPVBQESA-N 0 2 371.319 3.130 20 5 FGBDLN Cn1nc(C(F)F)c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)sc21 ZINC000472430194 502349388 /nfs/dbraw/zinc/34/93/88/502349388.db2.gz IRBHJZRERGKJOZ-UHFFFAOYSA-N 0 2 368.321 3.439 20 5 FGBDLN CCOc1cccc2c1OCC(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)=C2 ZINC000483447137 502396045 /nfs/dbraw/zinc/39/60/45/502396045.db2.gz ZRMILIWFVKRNQA-UHFFFAOYSA-N 0 2 356.334 3.114 20 5 FGBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000480240060 502510705 /nfs/dbraw/zinc/51/07/05/502510705.db2.gz IYSZDBPIGHZORR-NSHDSACASA-N 0 2 366.443 3.488 20 5 FGBDLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000484087347 502567905 /nfs/dbraw/zinc/56/79/05/502567905.db2.gz HUXZRANCTRFDTI-UHFFFAOYSA-N 0 2 354.359 3.322 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2n[nH]c3ccc(F)cc32)c1C ZINC000484427184 502641325 /nfs/dbraw/zinc/64/13/25/502641325.db2.gz MCCRAAAWAHRVGR-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000466967525 502740812 /nfs/dbraw/zinc/74/08/12/502740812.db2.gz ZWPCZCAXPYBPCG-UHFFFAOYSA-N 0 2 354.409 3.091 20 5 FGBDLN O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000485107216 502815756 /nfs/dbraw/zinc/81/57/56/502815756.db2.gz QIBHVBMLEAACOF-UHFFFAOYSA-N 0 2 365.305 3.084 20 5 FGBDLN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000485107216 502815757 /nfs/dbraw/zinc/81/57/57/502815757.db2.gz QIBHVBMLEAACOF-UHFFFAOYSA-N 0 2 365.305 3.084 20 5 FGBDLN O=C(NCCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000506211770 503070526 /nfs/dbraw/zinc/07/05/26/503070526.db2.gz JJFSWQMXMFJFHN-UHFFFAOYSA-N 0 2 357.341 3.283 20 5 FGBDLN CC(C)(C)c1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cs1 ZINC000490365342 503161995 /nfs/dbraw/zinc/16/19/95/503161995.db2.gz KKKWDERZGQYIBU-UHFFFAOYSA-N 0 2 372.410 3.386 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000491587584 503321514 /nfs/dbraw/zinc/32/15/14/503321514.db2.gz ZQTJBCSCRWOHQQ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000491610874 503324476 /nfs/dbraw/zinc/32/44/76/503324476.db2.gz VGHMZEMAISONCI-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cnn1CC(C)C ZINC000499286883 503372611 /nfs/dbraw/zinc/37/26/11/503372611.db2.gz QTWYWELHTGCPLB-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN CC(C)(C)CCOc1cnccc1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000492540320 503373653 /nfs/dbraw/zinc/37/36/53/503373653.db2.gz UIPPEBGRKCUBIR-UHFFFAOYSA-N 0 2 373.409 3.440 20 5 FGBDLN CCCN1C(=O)CCc2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc21 ZINC000503313605 503387948 /nfs/dbraw/zinc/38/79/48/503387948.db2.gz HEIXLMUPPCHYLS-UHFFFAOYSA-N 0 2 369.377 3.242 20 5 FGBDLN O=C(NCc1nc2cc(Cl)ccc2s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508404698 503488539 /nfs/dbraw/zinc/48/85/39/503488539.db2.gz UNUAHEGHVJCSDF-UHFFFAOYSA-N 0 2 363.782 3.494 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])c(OC)c1 ZINC000540192976 503702435 /nfs/dbraw/zinc/70/24/35/503702435.db2.gz WTTQCTDHWLTMEY-HNNXBMFYSA-N 0 2 372.377 3.295 20 5 FGBDLN C[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000540531003 503807689 /nfs/dbraw/zinc/80/76/89/503807689.db2.gz PMBLBLKBDSMTNW-SNVBAGLBSA-N 0 2 350.758 3.151 20 5 FGBDLN CCOc1ccccc1OCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534804124 504246548 /nfs/dbraw/zinc/24/65/48/504246548.db2.gz MCZUDHQXLBLQDC-UHFFFAOYSA-N 0 2 360.366 3.497 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1 ZINC000520037948 504402068 /nfs/dbraw/zinc/40/20/68/504402068.db2.gz RBQXVDPKXRAHDL-UHFFFAOYSA-N 0 2 372.406 3.144 20 5 FGBDLN CCOc1ccc(C(=O)CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000535503407 504453409 /nfs/dbraw/zinc/45/34/09/504453409.db2.gz FONIOBJWVOMXTM-UHFFFAOYSA-N 0 2 358.350 3.301 20 5 FGBDLN CO[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000539414284 504564437 /nfs/dbraw/zinc/56/44/37/504564437.db2.gz NSDGVCSVORIWFQ-AWEZNQCLSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cncnc1-c1ccccc1 ZINC000542709251 504584313 /nfs/dbraw/zinc/58/43/13/504584313.db2.gz NTLFRZUZTHHTDW-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN COc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1Br ZINC000539489553 504587990 /nfs/dbraw/zinc/58/79/90/504587990.db2.gz MJGLYCXDRJLXBD-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(Cn2cc[nH+]c2)cc1 ZINC000542751441 504595500 /nfs/dbraw/zinc/59/55/00/504595500.db2.gz QMSIGUNIFPGVCJ-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN Cc1ccnc(-c2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2)n1 ZINC000549769856 504892573 /nfs/dbraw/zinc/89/25/73/504892573.db2.gz ZHBSYQICXHVWSY-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN O=C(Nc1nc2cc(C(F)(F)F)ccc2[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000556940055 505024532 /nfs/dbraw/zinc/02/45/32/505024532.db2.gz RVLWUMQXKXPUDW-UHFFFAOYSA-N 0 2 366.255 3.448 20 5 FGBDLN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000556940055 505024538 /nfs/dbraw/zinc/02/45/38/505024538.db2.gz RVLWUMQXKXPUDW-UHFFFAOYSA-N 0 2 366.255 3.448 20 5 FGBDLN Cc1nc2cc(CNC(=O)c3cccc(O)c3[N+](=O)[O-])ccc2n1C1CC1 ZINC000563401622 505133493 /nfs/dbraw/zinc/13/34/93/505133493.db2.gz UQORZLCYPPQHMY-UHFFFAOYSA-N 0 2 366.377 3.223 20 5 FGBDLN COc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(OC)cc1Cl ZINC000560694557 505162886 /nfs/dbraw/zinc/16/28/86/505162886.db2.gz XZRITCOBIBGFED-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1CCNc1nc(C(F)(F)F)ns1 ZINC000561289981 505306342 /nfs/dbraw/zinc/30/63/42/505306342.db2.gz PGMMBAAWFIJLMJ-UHFFFAOYSA-N 0 2 352.725 3.195 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000555276625 505397526 /nfs/dbraw/zinc/39/75/26/505397526.db2.gz RKEMNYNZYSBJEO-UHFFFAOYSA-N 0 2 371.328 3.170 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nc1 ZINC000562038919 505499193 /nfs/dbraw/zinc/49/91/93/505499193.db2.gz SWGWDVALHICVRZ-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552549448 505512431 /nfs/dbraw/zinc/51/24/31/505512431.db2.gz JLNCKFGRSHJFIY-UHFFFAOYSA-N 0 2 374.303 3.231 20 5 FGBDLN CC(C)(C)OC(=O)[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC=CCC1 ZINC000593553379 506682330 /nfs/dbraw/zinc/68/23/30/506682330.db2.gz MZBDAOHFJIDITR-GOSISDBHSA-N 0 2 362.382 3.307 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc([C@@H](C)OC)c2)c([N+](=O)[O-])c1 ZINC000608875268 506733716 /nfs/dbraw/zinc/73/37/16/506733716.db2.gz LCGXEYNLBPCIIA-LLVKDONJSA-N 0 2 366.395 3.112 20 5 FGBDLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000593734582 506752409 /nfs/dbraw/zinc/75/24/09/506752409.db2.gz AORQSTCKBUZUPK-UGSOOPFHSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000593734582 506752419 /nfs/dbraw/zinc/75/24/19/506752419.db2.gz AORQSTCKBUZUPK-UGSOOPFHSA-N 0 2 356.378 3.255 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c(C(F)(F)F)nc2n1CCCC2 ZINC000597490982 506976273 /nfs/dbraw/zinc/97/62/73/506976273.db2.gz BSSCXJLXEJWYHC-UHFFFAOYSA-N 0 2 370.287 3.104 20 5 FGBDLN CCOc1ccc(C[C@H](C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000590891914 507019341 /nfs/dbraw/zinc/01/93/41/507019341.db2.gz VSLDVDOIQGOZSG-ZDUSSCGKSA-N 0 2 358.394 3.308 20 5 FGBDLN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136571 507113591 /nfs/dbraw/zinc/11/35/91/507113591.db2.gz ZJMKRMLUHKSDHS-ZDUSSCGKSA-N 0 2 374.340 3.442 20 5 FGBDLN CSc1ccncc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000610657356 507334348 /nfs/dbraw/zinc/33/43/48/507334348.db2.gz FOVOKPWDCBKMRL-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598390467 507404066 /nfs/dbraw/zinc/40/40/66/507404066.db2.gz SQAGDLZRRJEEIV-UHFFFAOYSA-N 0 2 366.414 3.130 20 5 FGBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(Oc2ccccc2F)CC1 ZINC000601740625 507445097 /nfs/dbraw/zinc/44/50/97/507445097.db2.gz RGYGITOFDDFFEK-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2scnc2C2CC2)c(C)c1[N+](=O)[O-] ZINC000598714157 507565354 /nfs/dbraw/zinc/56/53/54/507565354.db2.gz PSDLBEJQWCIVOL-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN CC(C)Oc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000611294689 507608620 /nfs/dbraw/zinc/60/86/20/507608620.db2.gz QCBUNBMKXMOMQR-UHFFFAOYSA-N 0 2 351.746 3.388 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cnn([C@@H](C)CC)c2C)cc1[N+](=O)[O-] ZINC000592353357 507613046 /nfs/dbraw/zinc/61/30/46/507613046.db2.gz SCCCPOYPYBUASW-NSHDSACASA-N 0 2 366.443 3.434 20 5 FGBDLN Cc1c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH]nc1C(C)C ZINC000592385241 507632744 /nfs/dbraw/zinc/63/27/44/507632744.db2.gz WROVWBJMHZRVRC-UHFFFAOYSA-N 0 2 352.416 3.167 20 5 FGBDLN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000611404311 507664800 /nfs/dbraw/zinc/66/48/00/507664800.db2.gz GJTXKVPSVVEKBJ-QFBILLFUSA-N 0 2 357.454 3.047 20 5 FGBDLN O=C([O-])N(CC1CC1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000831826975 604234320 /nfs/dbraw/zinc/23/43/20/604234320.db2.gz XOFAPXWGTWUVFE-UHFFFAOYSA-N 0 2 351.378 3.088 20 5 FGBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3F)ccc12 ZINC000093909497 700456431 /nfs/dbraw/zinc/45/64/31/700456431.db2.gz JALBPZWQAZSQRP-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)n1 ZINC000128704980 700778513 /nfs/dbraw/zinc/77/85/13/700778513.db2.gz IJKYVDPBXANBSN-UHFFFAOYSA-N 0 2 355.803 3.369 20 5 FGBDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152991713 704981351 /nfs/dbraw/zinc/98/13/51/704981351.db2.gz OESJXHQPHURNON-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)ccc1Cl ZINC000619468295 714840253 /nfs/dbraw/zinc/84/02/53/714840253.db2.gz PYZJOEFYXODYJB-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1N(C)C ZINC000739381880 722532821 /nfs/dbraw/zinc/53/28/21/722532821.db2.gz HLVVCQXHVQFYHA-UHFFFAOYSA-N 0 2 369.830 3.423 20 5 FGBDLN Cc1cc(Br)ncc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773217115 723779389 /nfs/dbraw/zinc/77/93/89/723779389.db2.gz IXIVRVXIWALACF-UHFFFAOYSA-N 0 2 352.144 3.019 20 5 FGBDLN CC(C)(C)n1nccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000786186416 724965769 /nfs/dbraw/zinc/96/57/69/724965769.db2.gz RAFAAAGIAFKTNS-UHFFFAOYSA-N 0 2 358.807 3.001 20 5 FGBDLN COc1cc(Br)ccc1OC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000813810089 726915604 /nfs/dbraw/zinc/91/56/04/726915604.db2.gz CPZLCDLDXXPCEF-UHFFFAOYSA-N 0 2 368.139 3.291 20 5 FGBDLN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1 ZINC000068297397 493792502 /nfs/dbraw/zinc/79/25/02/493792502.db2.gz JKMULRIKUYYIJA-UHFFFAOYSA-N 0 2 372.362 3.325 20 5 FGBDLN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000068298014 493792626 /nfs/dbraw/zinc/79/26/26/493792626.db2.gz GPPCWTQPUJJSMA-UHFFFAOYSA-N 0 2 372.362 3.081 20 5 FGBDLN CC(=O)Nc1c(C)ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000063912795 494096991 /nfs/dbraw/zinc/09/69/91/494096991.db2.gz GIBGFLQDHYRKTJ-UHFFFAOYSA-N 0 2 369.424 3.032 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(N2CCCC2)c1 ZINC000088460404 494240703 /nfs/dbraw/zinc/24/07/03/494240703.db2.gz CDOBWUHFQRTQAM-ZDUSSCGKSA-N 0 2 355.394 3.392 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CSC)cc1 ZINC000066588322 494360796 /nfs/dbraw/zinc/36/07/96/494360796.db2.gz GEPHZBHNXSJCMW-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000055599358 494370555 /nfs/dbraw/zinc/37/05/55/494370555.db2.gz PXGQRPTWVFULAV-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000055631892 494376409 /nfs/dbraw/zinc/37/64/09/494376409.db2.gz YVJMSTGPTHLEIV-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN COCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000078982573 494387867 /nfs/dbraw/zinc/38/78/67/494387867.db2.gz BYJUBPKJKSNEOK-UHFFFAOYSA-N 0 2 356.787 3.195 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000067180146 494491103 /nfs/dbraw/zinc/49/11/03/494491103.db2.gz DYWQDPWJDIXAJJ-AWEZNQCLSA-N 0 2 370.361 3.049 20 5 FGBDLN CC(C)Cn1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C(F)F ZINC000092546252 494664098 /nfs/dbraw/zinc/66/40/98/494664098.db2.gz BMTBWRHGCZKFQE-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN O=C(COc1ccccc1C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546398 494664858 /nfs/dbraw/zinc/66/48/58/494664858.db2.gz RKTMOXLZZURXGI-UHFFFAOYSA-N 0 2 356.256 3.337 20 5 FGBDLN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549310 494666262 /nfs/dbraw/zinc/66/62/62/494666262.db2.gz XZQWEBIHDCTVSR-UHFFFAOYSA-N 0 2 356.363 3.380 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000132251960 494845854 /nfs/dbraw/zinc/84/58/54/494845854.db2.gz BUAZBGTXISUYGO-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2cc(Br)ccc21 ZINC000133636376 495039719 /nfs/dbraw/zinc/03/97/19/495039719.db2.gz HICAQUSTEIOMQY-UHFFFAOYSA-N 0 2 363.167 3.266 20 5 FGBDLN CCOCc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000102320382 495129306 /nfs/dbraw/zinc/12/93/06/495129306.db2.gz WZCRSOBEOXDKEM-UHFFFAOYSA-N 0 2 350.396 3.241 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000120894537 495479722 /nfs/dbraw/zinc/47/97/22/495479722.db2.gz FHXPLDGVMXHWDC-UHFFFAOYSA-N 0 2 364.814 3.178 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000179447236 495594862 /nfs/dbraw/zinc/59/48/62/495594862.db2.gz JMNWHNCIGPRGQS-IBGZPJMESA-N 0 2 363.373 3.347 20 5 FGBDLN CN(C)c1nc2sc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2s1 ZINC000186026464 495825763 /nfs/dbraw/zinc/82/57/63/495825763.db2.gz XELAUNVRGSOUJD-UHFFFAOYSA-N 0 2 364.408 3.290 20 5 FGBDLN CCCc1nc(C)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000171484440 495897341 /nfs/dbraw/zinc/89/73/41/495897341.db2.gz UVGGQAHGPFSTPC-UHFFFAOYSA-N 0 2 372.410 3.350 20 5 FGBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1CC(C)C ZINC000160403366 495956154 /nfs/dbraw/zinc/95/61/54/495956154.db2.gz CAKWYBDXUKOIDG-UHFFFAOYSA-N 0 2 366.443 3.119 20 5 FGBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1C ZINC000152070714 496038411 /nfs/dbraw/zinc/03/84/11/496038411.db2.gz PBUUPYAKOLMAMI-UHFFFAOYSA-N 0 2 367.452 3.348 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000180768142 496138575 /nfs/dbraw/zinc/13/85/75/496138575.db2.gz VOBOFRIUYDFJJX-UHFFFAOYSA-N 0 2 367.317 3.143 20 5 FGBDLN CC(=O)c1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000156174768 496178198 /nfs/dbraw/zinc/17/81/98/496178198.db2.gz VJDVRESBKXDACE-UHFFFAOYSA-N 0 2 371.374 3.146 20 5 FGBDLN O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000184215104 496290103 /nfs/dbraw/zinc/29/01/03/496290103.db2.gz XMESCXFVXSWUMV-MRXNPFEDSA-N 0 2 368.349 3.281 20 5 FGBDLN Cc1cc(C)nc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000162367734 496344562 /nfs/dbraw/zinc/34/45/62/496344562.db2.gz JPQJRMSSEJEDLK-UHFFFAOYSA-N 0 2 355.803 3.369 20 5 FGBDLN CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cs1 ZINC000187353962 496405595 /nfs/dbraw/zinc/40/55/95/496405595.db2.gz BGUUBESCSNDCSE-SNVBAGLBSA-N 0 2 365.411 3.127 20 5 FGBDLN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184626062 496468755 /nfs/dbraw/zinc/46/87/55/496468755.db2.gz QKXYCAYNOYTDFG-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000184798264 496535844 /nfs/dbraw/zinc/53/58/44/496535844.db2.gz RQWWRHGCMMSDNS-SFHVURJKSA-N 0 2 374.368 3.025 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000184976962 496608201 /nfs/dbraw/zinc/60/82/01/496608201.db2.gz XUJOEMJOPIDQCO-UHFFFAOYSA-N 0 2 368.345 3.442 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000182140380 496684905 /nfs/dbraw/zinc/68/49/05/496684905.db2.gz CBZZQLYQRPSBAL-AWEZNQCLSA-N 0 2 372.352 3.317 20 5 FGBDLN Cc1ccc2c(CCNC(=O)c3ccc([N+](=O)[O-])c(O)c3)cn(C)c2c1 ZINC000188433052 496788702 /nfs/dbraw/zinc/78/87/02/496788702.db2.gz JATRCLQTRKPQST-UHFFFAOYSA-N 0 2 353.378 3.073 20 5 FGBDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191799116 496892997 /nfs/dbraw/zinc/89/29/97/496892997.db2.gz AXJVSHATFXVODA-UHFFFAOYSA-N 0 2 351.384 3.186 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000278451159 497118339 /nfs/dbraw/zinc/11/83/39/497118339.db2.gz XVIOMYKYWNQNDZ-UHFFFAOYSA-N 0 2 369.424 3.128 20 5 FGBDLN CC(C)OCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000194034420 497553862 /nfs/dbraw/zinc/55/38/62/497553862.db2.gz BVZGYUSIJAKANA-UHFFFAOYSA-N 0 2 350.396 3.321 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000191033506 497687688 /nfs/dbraw/zinc/68/76/88/497687688.db2.gz SJFXSABVAHSBHE-UHFFFAOYSA-N 0 2 370.390 3.161 20 5 FGBDLN O=C(N[C@H]1c2ccccc2CC12CCOCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000291986231 497828106 /nfs/dbraw/zinc/82/81/06/497828106.db2.gz UGJPUEKVNGUSNW-SFHVURJKSA-N 0 2 368.389 3.124 20 5 FGBDLN CCOc1ccc(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1OCC ZINC000280832151 497916155 /nfs/dbraw/zinc/91/61/55/497916155.db2.gz UHNXVEXQDMKNRQ-UHFFFAOYSA-N 0 2 374.393 3.070 20 5 FGBDLN O=C(C[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-])c1cccs1 ZINC000281071333 498008963 /nfs/dbraw/zinc/00/89/63/498008963.db2.gz ZUBQLPDAMFMEMQ-NSHDSACASA-N 0 2 360.391 3.240 20 5 FGBDLN CN(c1ccccc1)C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281256933 498076941 /nfs/dbraw/zinc/07/69/41/498076941.db2.gz ORHCZHWIANQCCD-UHFFFAOYSA-N 0 2 355.394 3.041 20 5 FGBDLN O=[N+]([O-])c1cc(F)c(NCc2nnc(COc3ccccc3)[nH]2)c(F)c1 ZINC000302235775 498456226 /nfs/dbraw/zinc/45/62/26/498456226.db2.gz FQAUKKHVAYPITL-UHFFFAOYSA-N 0 2 361.308 3.182 20 5 FGBDLN O=C([O-])Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000581669108 506040834 /nfs/dbraw/zinc/04/08/34/506040834.db2.gz DTBTZOHIDXWGCL-UHFFFAOYSA-N 0 2 356.382 3.351 20 5 FGBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000325574093 498837914 /nfs/dbraw/zinc/83/79/14/498837914.db2.gz JQVZLAPJFDDALV-UHFFFAOYSA-N 0 2 372.834 3.378 20 5 FGBDLN COc1ccccc1NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000363714255 498956391 /nfs/dbraw/zinc/95/63/91/498956391.db2.gz OWJXQGFKIIBMLW-UHFFFAOYSA-N 0 2 371.393 3.026 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000570293241 506134714 /nfs/dbraw/zinc/13/47/14/506134714.db2.gz MZWKTJUVCSIBGD-IRXDYDNUSA-N 0 2 356.378 3.394 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000570293241 506134716 /nfs/dbraw/zinc/13/47/16/506134716.db2.gz MZWKTJUVCSIBGD-IRXDYDNUSA-N 0 2 356.378 3.394 20 5 FGBDLN Cc1cc(N2CCC3(C[C@H]3C(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000570283248 506132928 /nfs/dbraw/zinc/13/29/28/506132928.db2.gz OSPJHHPAZRYENB-HNNXBMFYSA-N 0 2 368.393 3.051 20 5 FGBDLN Cc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000368674861 499320737 /nfs/dbraw/zinc/32/07/37/499320737.db2.gz DZPOSJLAGNQPAB-UHFFFAOYSA-N 0 2 360.377 3.066 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416254006 499996541 /nfs/dbraw/zinc/99/65/41/499996541.db2.gz FHNQVZHLFOJOBP-CYBMUJFWSA-N 0 2 362.332 3.426 20 5 FGBDLN CC1(C)CCc2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000416423740 500041770 /nfs/dbraw/zinc/04/17/70/500041770.db2.gz XBAIOOOEQRLFSS-UHFFFAOYSA-N 0 2 367.452 3.367 20 5 FGBDLN COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1Br ZINC000436962427 500580070 /nfs/dbraw/zinc/58/00/70/500580070.db2.gz LTGPDTIJNIPDRK-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1(CC)CC ZINC000436988022 500586884 /nfs/dbraw/zinc/58/68/84/500586884.db2.gz KKTWXKXDGMYWLN-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1-c1ccccc1 ZINC000437314272 500628568 /nfs/dbraw/zinc/62/85/68/500628568.db2.gz MFUKZWJZGDIIFX-UHFFFAOYSA-N 0 2 372.406 3.144 20 5 FGBDLN O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000437373715 500637575 /nfs/dbraw/zinc/63/75/75/500637575.db2.gz NOKBYIXHETYYGK-TVQRCGJNSA-N 0 2 352.268 3.004 20 5 FGBDLN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(CC)CC ZINC000434346961 500829438 /nfs/dbraw/zinc/82/94/38/500829438.db2.gz PUEHQSQXKNNSKT-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN Cn1cc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccc(Cl)cc21 ZINC000444435738 500847887 /nfs/dbraw/zinc/84/78/87/500847887.db2.gz VAGDQGOIBFHRII-UHFFFAOYSA-N 0 2 373.796 3.418 20 5 FGBDLN O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000444630442 500869607 /nfs/dbraw/zinc/86/96/07/500869607.db2.gz OIHWXQQFMHHELB-UHFFFAOYSA-N 0 2 351.322 3.086 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)cc1O ZINC000445235957 500958349 /nfs/dbraw/zinc/95/83/49/500958349.db2.gz SPSWVDFEMFSZKX-UHFFFAOYSA-N 0 2 361.317 3.474 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(Cc2ccccc2)CCOCC1 ZINC000450395602 501110466 /nfs/dbraw/zinc/11/04/66/501110466.db2.gz UWURGJCRDWKXMP-UHFFFAOYSA-N 0 2 356.378 3.278 20 5 FGBDLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000436609572 501169054 /nfs/dbraw/zinc/16/90/54/501169054.db2.gz SDKYVHCNNMMADG-UHFFFAOYSA-N 0 2 364.379 3.002 20 5 FGBDLN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436636261 501175771 /nfs/dbraw/zinc/17/57/71/501175771.db2.gz YGINTSUUDUEWMA-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1C[C@H](OCC)C1(C)C ZINC000436868199 501224313 /nfs/dbraw/zinc/22/43/13/501224313.db2.gz HJMMDOANELYUQG-CVEARBPZSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1O ZINC000436868132 501224597 /nfs/dbraw/zinc/22/45/97/501224597.db2.gz GMDBCUZVZDNUBQ-UHFFFAOYSA-N 0 2 355.119 3.454 20 5 FGBDLN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1C[C@@H](OCC)C1(C)C ZINC000436868205 501224706 /nfs/dbraw/zinc/22/47/06/501224706.db2.gz HJMMDOANELYUQG-JKSUJKDBSA-N 0 2 350.415 3.356 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(CC1)OCCc1ccsc12 ZINC000436890582 501227572 /nfs/dbraw/zinc/22/75/72/501227572.db2.gz UXFHZTLJMOULQS-UHFFFAOYSA-N 0 2 374.418 3.066 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000451060592 501242635 /nfs/dbraw/zinc/24/26/35/501242635.db2.gz YMUFJIDOPLPTHF-LBPRGKRZSA-N 0 2 368.436 3.269 20 5 FGBDLN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000456921753 501619524 /nfs/dbraw/zinc/61/95/24/501619524.db2.gz KVFHZQSAPMVQTB-HDJSIYSDSA-N 0 2 356.378 3.327 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(CC1)OCCc1ccccc12 ZINC000457126648 501655337 /nfs/dbraw/zinc/65/53/37/501655337.db2.gz BWFSDYZWMOKEEJ-UHFFFAOYSA-N 0 2 368.389 3.005 20 5 FGBDLN CN(c1ccccc1)c1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cn1 ZINC000486026607 502022247 /nfs/dbraw/zinc/02/22/47/502022247.db2.gz FNCNIXDOPDEWIO-CLFYSBASSA-N 0 2 365.349 3.129 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cl)cc1C ZINC000461207574 502038934 /nfs/dbraw/zinc/03/89/34/502038934.db2.gz CVEMKYFTYCXRAW-UHFFFAOYSA-N 0 2 355.803 3.315 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)c(Cl)c1 ZINC000461222342 502044406 /nfs/dbraw/zinc/04/44/06/502044406.db2.gz UGKNOSGQHPDSNE-UHFFFAOYSA-N 0 2 367.814 3.323 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000478710478 502065173 /nfs/dbraw/zinc/06/51/73/502065173.db2.gz MQQLZFSJVHRVSS-SNVBAGLBSA-N 0 2 364.427 3.316 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000471991533 502193740 /nfs/dbraw/zinc/19/37/40/502193740.db2.gz IYYLBSBBIZYIIX-UHFFFAOYSA-N 0 2 374.777 3.456 20 5 FGBDLN CC(C)CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000468975268 502249380 /nfs/dbraw/zinc/24/93/80/502249380.db2.gz NNLSAGGPHIXLST-UHFFFAOYSA-N 0 2 372.834 3.361 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(CCC(C)C)n[nH]1 ZINC000468977292 502250811 /nfs/dbraw/zinc/25/08/11/502250811.db2.gz OWMWEDHOGSVGNX-UHFFFAOYSA-N 0 2 352.416 3.016 20 5 FGBDLN Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000472947771 502480959 /nfs/dbraw/zinc/48/09/59/502480959.db2.gz CYBRAAGDMSRNNW-CYBMUJFWSA-N 0 2 366.377 3.089 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487765331 502524416 /nfs/dbraw/zinc/52/44/16/502524416.db2.gz LFGXNXPHAXKOEP-UHFFFAOYSA-N 0 2 367.390 3.490 20 5 FGBDLN Cc1[nH]c2ccccc2c1C(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477045165 502658702 /nfs/dbraw/zinc/65/87/02/502658702.db2.gz DPLCTYOYZCWQKP-UHFFFAOYSA-N 0 2 358.375 3.041 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473757905 502698296 /nfs/dbraw/zinc/69/82/96/502698296.db2.gz KGYHAWQPEZWNMH-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000490608898 503202941 /nfs/dbraw/zinc/20/29/41/503202941.db2.gz TUXMKLLCCODBIW-SNVBAGLBSA-N 0 2 363.395 3.212 20 5 FGBDLN CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000507162856 503241342 /nfs/dbraw/zinc/24/13/42/503241342.db2.gz WOHSXNDBFUMQLO-UHFFFAOYSA-N 0 2 371.393 3.471 20 5 FGBDLN COc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cc1[N+](=O)[O-] ZINC000515134030 503278280 /nfs/dbraw/zinc/27/82/80/503278280.db2.gz RLSVNIMUAOHFHS-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN CCc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000491593625 503322208 /nfs/dbraw/zinc/32/22/08/503322208.db2.gz HTMVELARKHRENM-UHFFFAOYSA-N 0 2 366.443 3.201 20 5 FGBDLN CC(=O)c1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])ccc1F ZINC000507597648 503329595 /nfs/dbraw/zinc/32/95/95/503329595.db2.gz SJUYHEHOMHVKCF-UHFFFAOYSA-N 0 2 366.370 3.354 20 5 FGBDLN CC(C)COc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000515696933 503387318 /nfs/dbraw/zinc/38/73/18/503387318.db2.gz CIUALEFYSZLBBG-UHFFFAOYSA-N 0 2 350.396 3.430 20 5 FGBDLN CN(CCOc1cccc(Cl)c1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000540119343 503678436 /nfs/dbraw/zinc/67/84/36/503678436.db2.gz TWRKTCYLXFSWER-UHFFFAOYSA-N 0 2 350.758 3.105 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000536699292 503687283 /nfs/dbraw/zinc/68/72/83/503687283.db2.gz AVEIUBWXMSGRLT-UHFFFAOYSA-N 0 2 362.407 3.283 20 5 FGBDLN C[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1ccccc1Cl ZINC000540530992 503807625 /nfs/dbraw/zinc/80/76/25/503807625.db2.gz PMBLBLKBDSMTNW-JTQLQIEISA-N 0 2 350.758 3.151 20 5 FGBDLN O=C(NCCc1ccccc1C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000537212200 503844585 /nfs/dbraw/zinc/84/45/85/503844585.db2.gz PCSREJDIXBYUMU-UHFFFAOYSA-N 0 2 354.284 3.292 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000540933007 503943133 /nfs/dbraw/zinc/94/31/33/503943133.db2.gz GFUNBGRCGQONQA-UHFFFAOYSA-N 0 2 370.405 3.491 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OCC(F)(F)F)cc1 ZINC000537768491 504033541 /nfs/dbraw/zinc/03/35/41/504033541.db2.gz KKOMSZACPDHFBM-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc([N+](=O)[O-])o1 ZINC000520098974 504411559 /nfs/dbraw/zinc/41/15/59/504411559.db2.gz JYGONUXYKCXSMI-UHFFFAOYSA-N 0 2 350.743 3.034 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000556982687 505037776 /nfs/dbraw/zinc/03/77/76/505037776.db2.gz CQBCEUOJTJLPRJ-SUMWQHHRSA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(NCc1ccccc1OC(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000557263090 505101807 /nfs/dbraw/zinc/10/18/07/505101807.db2.gz YEKGOBHCPHLGNK-UHFFFAOYSA-N 0 2 356.256 3.129 20 5 FGBDLN CSc1nc(C(C)C)nc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000557403501 505126920 /nfs/dbraw/zinc/12/69/20/505126920.db2.gz NVMZTNUOAUAPFF-UHFFFAOYSA-N 0 2 362.411 3.496 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(SC)ccc2C)c([N+](=O)[O-])c1 ZINC000561262865 505297720 /nfs/dbraw/zinc/29/77/20/505297720.db2.gz IZGRGCBKWVMSSN-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC000603980015 506678409 /nfs/dbraw/zinc/67/84/09/506678409.db2.gz RRLKSDRNHQOHRU-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000608927920 506744494 /nfs/dbraw/zinc/74/44/94/506744494.db2.gz QPZILQZFEYHTBR-LLVKDONJSA-N 0 2 370.406 3.338 20 5 FGBDLN CC(C)(C)OC(=O)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000597492275 506977752 /nfs/dbraw/zinc/97/77/52/506977752.db2.gz ZHMOFFWRQISLTA-CYBMUJFWSA-N 0 2 352.387 3.243 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nc3ccsc3s2)ccc1[N+](=O)[O-] ZINC000609812167 507012258 /nfs/dbraw/zinc/01/22/58/507012258.db2.gz AHLWNBBYIOXCMN-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN COc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1F ZINC000600775288 507114974 /nfs/dbraw/zinc/11/49/74/507114974.db2.gz LSDMUINRHWGPDF-ZDUSSCGKSA-N 0 2 360.341 3.078 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(CCc3ccccc3O2)CC1 ZINC000598400443 507411409 /nfs/dbraw/zinc/41/14/09/507411409.db2.gz VNRSANQJDQQWBY-UHFFFAOYSA-N 0 2 368.389 3.300 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cc(C)n([C@H](C)CC)n2)cc1[N+](=O)[O-] ZINC000584593571 507429912 /nfs/dbraw/zinc/42/99/12/507429912.db2.gz DVMCWJSBVBUBKS-LLVKDONJSA-N 0 2 366.443 3.434 20 5 FGBDLN CCn1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1C1CC1 ZINC000598710410 507562324 /nfs/dbraw/zinc/56/23/24/507562324.db2.gz CFWXFERACDSWHW-UHFFFAOYSA-N 0 2 364.427 3.106 20 5 FGBDLN CCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)ccc1F ZINC000586749012 507656363 /nfs/dbraw/zinc/65/63/63/507656363.db2.gz DLVPUUJMOMUJKK-UHFFFAOYSA-N 0 2 354.359 3.106 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cs1 ZINC000120092972 700647909 /nfs/dbraw/zinc/64/79/09/700647909.db2.gz PLZCHFKPGUVZPY-UHFFFAOYSA-N 0 2 367.452 3.447 20 5 FGBDLN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523727696 714249491 /nfs/dbraw/zinc/24/94/91/714249491.db2.gz GXMCPBTYLFRTNS-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000619466294 714839254 /nfs/dbraw/zinc/83/92/54/714839254.db2.gz JQUUAGVVXLNDDS-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000752195151 722848192 /nfs/dbraw/zinc/84/81/92/722848192.db2.gz IYGZEAPQGNCRJB-UHFFFAOYSA-N 0 2 361.832 3.376 20 5 FGBDLN Cc1ccc(C=CS(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000759151692 723000453 /nfs/dbraw/zinc/00/04/53/723000453.db2.gz ZCLHJVBSJCEJPN-HJWRWDBZSA-N 0 2 358.379 3.192 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCC(F)(F)F)c1 ZINC000795866832 723612182 /nfs/dbraw/zinc/61/21/82/723612182.db2.gz KWSWRZGYCUEIQW-UHFFFAOYSA-N 0 2 364.704 3.008 20 5 FGBDLN CC(C)COc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883670 723670894 /nfs/dbraw/zinc/67/08/94/723670894.db2.gz UHDJZPKYQNNLNM-UHFFFAOYSA-N 0 2 356.425 3.492 20 5 FGBDLN CN(C)C(=O)Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000772812243 723768660 /nfs/dbraw/zinc/76/86/60/723768660.db2.gz RSBMZWWRCXMTHK-UHFFFAOYSA-N 0 2 361.379 3.326 20 5 FGBDLN COCCOc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000776200683 724117822 /nfs/dbraw/zinc/11/78/22/724117822.db2.gz XOWMJHJWXCFQPG-UHFFFAOYSA-N 0 2 366.757 3.231 20 5 FGBDLN CC[C@@](O)(C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000800533399 724209903 /nfs/dbraw/zinc/20/99/03/724209903.db2.gz NLWBXSGLJMYNDR-INIZCTEOSA-N 0 2 350.758 3.190 20 5 FGBDLN CCc1nc(C)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000777661078 724248630 /nfs/dbraw/zinc/24/86/30/724248630.db2.gz PGLFXLPKFSIGQW-UHFFFAOYSA-N 0 2 361.832 3.376 20 5 FGBDLN Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000811710909 725377704 /nfs/dbraw/zinc/37/77/04/725377704.db2.gz OVYWEMYSKBMAOT-UHFFFAOYSA-N 0 2 367.330 3.179 20 5 FGBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000863449100 732964888 /nfs/dbraw/zinc/96/48/88/732964888.db2.gz SPKGMQQTPINSPT-UHFFFAOYSA-N 0 2 368.802 3.025 20 5 FGBDLN COCc1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060443161 221132744 /nfs/dbraw/zinc/13/27/44/221132744.db2.gz JNSUTMHTIYGOGB-UHFFFAOYSA-N 0 2 350.396 3.159 20 5 FGBDLN COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000057558035 493773426 /nfs/dbraw/zinc/77/34/26/493773426.db2.gz UNFNUDAJKOQVRM-HNNXBMFYSA-N 0 2 356.378 3.156 20 5 FGBDLN Cc1nccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)n1 ZINC000030686572 493903539 /nfs/dbraw/zinc/90/35/39/493903539.db2.gz DWGIANYLHPWNQP-UHFFFAOYSA-N 0 2 350.334 3.318 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2n[nH]cc21 ZINC000069005146 493906121 /nfs/dbraw/zinc/90/61/21/493906121.db2.gz HZNUURMDFLYNDC-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN COc1ccc2ccccc2c1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031189329 493930819 /nfs/dbraw/zinc/93/08/19/493930819.db2.gz ADCBTIHISUGMMI-UHFFFAOYSA-N 0 2 352.346 3.392 20 5 FGBDLN CC(C)CC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000064752489 494147273 /nfs/dbraw/zinc/14/72/73/494147273.db2.gz ONJXPSSEDYJNLQ-UHFFFAOYSA-N 0 2 371.393 3.215 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000089541182 494322833 /nfs/dbraw/zinc/32/28/33/494322833.db2.gz WYEFASZZKONQKL-UHFFFAOYSA-N 0 2 351.318 3.112 20 5 FGBDLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000055591068 494368684 /nfs/dbraw/zinc/36/86/84/494368684.db2.gz ZVTJTGANXSLSHM-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c([N+](=O)[O-])c1 ZINC000108639883 494755502 /nfs/dbraw/zinc/75/55/02/494755502.db2.gz GHITVRQOZNCDAI-UHFFFAOYSA-N 0 2 366.443 3.026 20 5 FGBDLN CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000126944386 494866969 /nfs/dbraw/zinc/86/69/69/494866969.db2.gz RVRVWERUAUVJDF-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(F)c(C)cc1F ZINC000093930854 494936243 /nfs/dbraw/zinc/93/62/43/494936243.db2.gz MROVMCGLIRUDLH-UHFFFAOYSA-N 0 2 372.349 3.129 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000093929284 494936690 /nfs/dbraw/zinc/93/66/90/494936690.db2.gz ZZNCSJNNLYUZDA-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2cccc(OCCF)c2)cc1[N+](=O)[O-] ZINC000119356447 495149993 /nfs/dbraw/zinc/14/99/93/495149993.db2.gz IWNRYQJUXITOEZ-UHFFFAOYSA-N 0 2 360.388 3.114 20 5 FGBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000123668241 495168998 /nfs/dbraw/zinc/16/89/98/495168998.db2.gz MRUWWZDBNCLRLH-QMMMGPOBSA-N 0 2 360.313 3.052 20 5 FGBDLN CCc1onc(C)c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000134763042 495196988 /nfs/dbraw/zinc/19/69/88/495196988.db2.gz QUYKZPAEPIGAPK-UHFFFAOYSA-N 0 2 359.791 3.216 20 5 FGBDLN CCc1onc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000134760329 495197146 /nfs/dbraw/zinc/19/71/46/495197146.db2.gz JAFCKPHFSORRRQ-UHFFFAOYSA-N 0 2 359.791 3.216 20 5 FGBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cnn1-c1ccccc1F ZINC000120076502 495301938 /nfs/dbraw/zinc/30/19/38/495301938.db2.gz CXTSQBMTQHNTPO-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC(F)F ZINC000114674251 495407381 /nfs/dbraw/zinc/40/73/81/495407381.db2.gz DZSMCYVCDIYSSD-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2OCC(F)F)c([N+](=O)[O-])c1 ZINC000130978858 495475016 /nfs/dbraw/zinc/47/50/16/495475016.db2.gz FIQNAYNWVAWBHR-UHFFFAOYSA-N 0 2 372.349 3.348 20 5 FGBDLN O=C(NCCOc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000106918698 495513100 /nfs/dbraw/zinc/51/31/00/495513100.db2.gz OBFSJMMQXBDADJ-UHFFFAOYSA-N 0 2 370.283 3.128 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000182745909 495686801 /nfs/dbraw/zinc/68/68/01/495686801.db2.gz HVYVNOSKZCEENP-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000159271985 495698629 /nfs/dbraw/zinc/69/86/29/495698629.db2.gz OZBGWTNKMIKNMH-UHFFFAOYSA-N 0 2 357.366 3.456 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000179947275 495796474 /nfs/dbraw/zinc/79/64/74/495796474.db2.gz CMVBCSRBSLLKME-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1ccc(C)n1-c1nc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cs1 ZINC000186018761 495824117 /nfs/dbraw/zinc/82/41/17/495824117.db2.gz MVOSRHCUUMVLNZ-UHFFFAOYSA-N 0 2 372.406 3.346 20 5 FGBDLN O=C(NCCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000155116324 495841696 /nfs/dbraw/zinc/84/16/96/495841696.db2.gz LIOVNHTXHXBTMA-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000160159365 495898974 /nfs/dbraw/zinc/89/89/74/495898974.db2.gz BGRUQSWCAWLYTB-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000180783715 496144713 /nfs/dbraw/zinc/14/47/13/496144713.db2.gz KVNQAVPECNXOMW-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000181142643 496286269 /nfs/dbraw/zinc/28/62/69/496286269.db2.gz RUSQORMRFGRRRQ-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(Nc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000184618668 496466334 /nfs/dbraw/zinc/46/63/34/496466334.db2.gz BIIUWDKSEBQRKP-UHFFFAOYSA-N 0 2 356.256 3.494 20 5 FGBDLN COCCCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181925795 496601152 /nfs/dbraw/zinc/60/11/52/496601152.db2.gz CFGCCLDAZGKVDT-UHFFFAOYSA-N 0 2 358.394 3.369 20 5 FGBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)CO1 ZINC000158042764 496613527 /nfs/dbraw/zinc/61/35/27/496613527.db2.gz GTVRDARNZVYBLR-ACJLOTCBSA-N 0 2 356.378 3.211 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000182139713 496685025 /nfs/dbraw/zinc/68/50/25/496685025.db2.gz PTMAJRFVEKMTQT-KBXCAEBGSA-N 0 2 374.368 3.168 20 5 FGBDLN Cc1ccc(-n2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cn2)c(C)c1 ZINC000191402711 496751422 /nfs/dbraw/zinc/75/14/22/496751422.db2.gz IWVVWJUMYOZUEW-UHFFFAOYSA-N 0 2 352.350 3.355 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000191903530 496926827 /nfs/dbraw/zinc/92/68/27/496926827.db2.gz CWDFZKNAQYAQJR-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277976946 496958538 /nfs/dbraw/zinc/95/85/38/496958538.db2.gz XYSKLTMVCSMHPD-UHFFFAOYSA-N 0 2 374.368 3.261 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c2ncccc12 ZINC000193483276 497392566 /nfs/dbraw/zinc/39/25/66/497392566.db2.gz YPWSJYMWGGPPKE-UHFFFAOYSA-N 0 2 368.374 3.425 20 5 FGBDLN Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569579824 505969444 /nfs/dbraw/zinc/96/94/44/505969444.db2.gz ZDLGPQSLJPXEBS-UHFFFAOYSA-N 0 2 356.382 3.209 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)C1CC1 ZINC000581627570 506031149 /nfs/dbraw/zinc/03/11/49/506031149.db2.gz OUZSCJHIQKVINE-UHFFFAOYSA-N 0 2 355.350 3.068 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c1C ZINC000322973772 498819891 /nfs/dbraw/zinc/81/98/91/498819891.db2.gz ZFAZPUUYBSVWGP-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1cc(F)cc(F)c1 ZINC000579144039 506103384 /nfs/dbraw/zinc/10/33/84/506103384.db2.gz HIRILQXCBKXLMQ-UHFFFAOYSA-N 0 2 366.320 3.166 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000376828161 499638279 /nfs/dbraw/zinc/63/82/79/499638279.db2.gz NDIGPBLXYQHGGV-LBPRGKRZSA-N 0 2 368.798 3.229 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)ccc1[N+](=O)[O-] ZINC000410354116 499657276 /nfs/dbraw/zinc/65/72/76/499657276.db2.gz NZWDOJRPOOTHBV-UHFFFAOYSA-N 0 2 362.407 3.418 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)sc1C ZINC000410401709 499660403 /nfs/dbraw/zinc/66/04/03/499660403.db2.gz GKENQBZNJHLSTP-UHFFFAOYSA-N 0 2 356.425 3.473 20 5 FGBDLN O=C([O-])[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(O)cc1 ZINC000426809750 500323624 /nfs/dbraw/zinc/32/36/24/500323624.db2.gz FXWBHMHUJUNLAV-GOSISDBHSA-N 0 2 368.345 3.476 20 5 FGBDLN COc1ccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000436977013 500584809 /nfs/dbraw/zinc/58/48/09/500584809.db2.gz CNSFTVQLCYNZCJ-UHFFFAOYSA-N 0 2 356.378 3.329 20 5 FGBDLN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436980042 500585462 /nfs/dbraw/zinc/58/54/62/500585462.db2.gz MBMPBPRTUAGHFN-AEFFLSMTSA-N 0 2 356.378 3.259 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437304985 500626971 /nfs/dbraw/zinc/62/69/71/500626971.db2.gz JTJDCKDMRHRRCV-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1(CC)CC ZINC000434346960 500829691 /nfs/dbraw/zinc/82/96/91/500829691.db2.gz PUEHQSQXKNNSKT-HZPDHXFCSA-N 0 2 350.415 3.356 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(CCc3ccc4c(c3)CCO4)no2)cc1O ZINC000445593058 501007132 /nfs/dbraw/zinc/00/71/32/501007132.db2.gz OOHRSFSQRUJHOQ-UHFFFAOYSA-N 0 2 353.334 3.071 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000436670369 501184238 /nfs/dbraw/zinc/18/42/38/501184238.db2.gz QMVWUUUFJNGKNT-OAHLLOKOSA-N 0 2 370.361 3.049 20 5 FGBDLN Cc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446968061 501187746 /nfs/dbraw/zinc/18/77/46/501187746.db2.gz WGPLHKMOUOVYDO-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nc(C3CCC3)cs2)ccc1[N+](=O)[O-] ZINC000446966594 501188117 /nfs/dbraw/zinc/18/81/17/501188117.db2.gz OJIDJAWWNJJIRS-UHFFFAOYSA-N 0 2 353.425 3.428 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000436867136 501223814 /nfs/dbraw/zinc/22/38/14/501223814.db2.gz AUTPMAMPOOYLSU-AWEZNQCLSA-N 0 2 356.334 3.006 20 5 FGBDLN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436889012 501228168 /nfs/dbraw/zinc/22/81/68/501228168.db2.gz AAAPMVRBRBGWNQ-XQRVVYSFSA-N 0 2 358.335 3.168 20 5 FGBDLN COc1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436894998 501229357 /nfs/dbraw/zinc/22/93/57/501229357.db2.gz HJZCTMWPNCAEDH-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CCCCc1cnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])nc1 ZINC000451097741 501245527 /nfs/dbraw/zinc/24/55/27/501245527.db2.gz FGGHTNSSOKAFAT-UHFFFAOYSA-N 0 2 364.427 3.145 20 5 FGBDLN Cc1ccc(-c2ncc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])s2)cc1 ZINC000486101927 502047229 /nfs/dbraw/zinc/04/72/29/502047229.db2.gz HCSJOCVIYGVMIT-VOTSOKGWSA-N 0 2 356.363 3.398 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)ccc1[N+](=O)[O-] ZINC000468916844 502229086 /nfs/dbraw/zinc/22/90/86/502229086.db2.gz KGZWRNGNGPMYTG-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(c2nc3ccccc3s2)C1 ZINC000479487017 502273472 /nfs/dbraw/zinc/27/34/72/502273472.db2.gz YCPGVRSWBLEYAG-UHFFFAOYSA-N 0 2 355.375 3.150 20 5 FGBDLN O=C(Nc1cccc(Oc2cnccn2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469523099 502450573 /nfs/dbraw/zinc/45/05/73/502450573.db2.gz DDNIHLKJBXVYIB-UHFFFAOYSA-N 0 2 352.306 3.135 20 5 FGBDLN CCCOc1cc(F)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000470458647 502782135 /nfs/dbraw/zinc/78/21/35/502782135.db2.gz KQJIAHOUVFNPDO-UHFFFAOYSA-N 0 2 354.359 3.324 20 5 FGBDLN O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000505202096 502869413 /nfs/dbraw/zinc/86/94/13/502869413.db2.gz BJLULIWCBSACLX-FUHWJXTLSA-N 0 2 372.377 3.235 20 5 FGBDLN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000500995522 502909154 /nfs/dbraw/zinc/90/91/54/502909154.db2.gz ICTIPCGTYFXSSR-UHFFFAOYSA-N 0 2 370.283 3.471 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509625623 502951182 /nfs/dbraw/zinc/95/11/82/502951182.db2.gz LOJGVKLRQCCAAM-UHFFFAOYSA-N 0 2 366.349 3.215 20 5 FGBDLN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000506334988 503096353 /nfs/dbraw/zinc/09/63/53/503096353.db2.gz MTWCKZJZVVNZQI-GOSISDBHSA-N 0 2 362.332 3.459 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000506526053 503131792 /nfs/dbraw/zinc/13/17/92/503131792.db2.gz LJODPNYXIKXXAS-NSHDSACASA-N 0 2 369.377 3.140 20 5 FGBDLN C[S@@](=O)Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1Cl ZINC000498336880 503161490 /nfs/dbraw/zinc/16/14/90/503161490.db2.gz SMEBDYGRKDIIRO-XMMPIXPASA-N 0 2 368.798 3.085 20 5 FGBDLN C[C@H](Cc1cnc2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000490609650 503203372 /nfs/dbraw/zinc/20/33/72/503203372.db2.gz VMNCKEMMOBONMQ-LLVKDONJSA-N 0 2 352.350 3.061 20 5 FGBDLN O=C(NCc1ccc(F)cc1C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000540516441 503801894 /nfs/dbraw/zinc/80/18/94/503801894.db2.gz FSJFAXKTNKCEDB-UHFFFAOYSA-N 0 2 358.247 3.388 20 5 FGBDLN CCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000538330292 504208439 /nfs/dbraw/zinc/20/84/39/504208439.db2.gz CKLMWKLKZQMCTR-GJZGRUSLSA-N 0 2 350.415 3.356 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2scnc2C2CC2)c1 ZINC000541807875 504260345 /nfs/dbraw/zinc/26/03/45/504260345.db2.gz WPOYQUCYDJSCEK-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN CCc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1C ZINC000538755448 504359533 /nfs/dbraw/zinc/35/95/33/504359533.db2.gz VVBUELOTOMNZRZ-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000536457620 504739169 /nfs/dbraw/zinc/73/91/69/504739169.db2.gz BITJLFMOYZTXPU-UHFFFAOYSA-N 0 2 352.416 3.098 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000559642515 504903085 /nfs/dbraw/zinc/90/30/85/504903085.db2.gz IYLYASQFYCDSPS-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN Cc1ncc(S(=O)(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)s1 ZINC000560010296 504969935 /nfs/dbraw/zinc/96/99/35/504969935.db2.gz FBUVGNZPXLMVMW-UHFFFAOYSA-N 0 2 355.441 3.458 20 5 FGBDLN C/C=C\c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000550943861 505128128 /nfs/dbraw/zinc/12/81/28/505128128.db2.gz GRSBFJDFUALZFG-ARJAWSKDSA-N 0 2 358.350 3.360 20 5 FGBDLN CC(C)c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1[N+](=O)[O-] ZINC000560728306 505170822 /nfs/dbraw/zinc/17/08/22/505170822.db2.gz NMAUZFJQKXOKTD-UHFFFAOYSA-N 0 2 367.365 3.461 20 5 FGBDLN O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cc([N+](=O)[O-])n[nH]1 ZINC000552409282 505484852 /nfs/dbraw/zinc/48/48/52/505484852.db2.gz WAGWXVPIHYNPCM-UHFFFAOYSA-N 0 2 351.533 3.236 20 5 FGBDLN CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000552543129 505510802 /nfs/dbraw/zinc/51/08/02/505510802.db2.gz LKXMCZYOHIEELD-UHFFFAOYSA-N 0 2 358.354 3.003 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000600176949 506822999 /nfs/dbraw/zinc/82/29/99/506822999.db2.gz KYVJOUARWDYQMT-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN CC1(c2nc(=NC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])s[nH]2)CC1 ZINC000600227093 506859865 /nfs/dbraw/zinc/85/98/65/506859865.db2.gz JJDPIXDCXPZRSS-UHFFFAOYSA-N 0 2 372.328 3.191 20 5 FGBDLN CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610714347 507361164 /nfs/dbraw/zinc/36/11/64/507361164.db2.gz QIXKYAVRYAJRKD-HNNXBMFYSA-N 0 2 355.394 3.171 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(Oc2ccccc2F)CC1 ZINC000601738914 507444785 /nfs/dbraw/zinc/44/47/85/507444785.db2.gz IHADDCNVCWBDOD-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN Cc1ccccc1N1C(=O)C(=Cc2ccc(O)c([N+](=O)[O-])c2)NC1=S ZINC000015282526 695617314 /nfs/dbraw/zinc/61/73/14/695617314.db2.gz XEWUMCQEXUKOBI-XYOKQWHBSA-N 0 2 355.375 3.282 20 5 FGBDLN CC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000046015582 695829953 /nfs/dbraw/zinc/82/99/53/695829953.db2.gz MVCFEMQJJXQGGO-UHFFFAOYSA-N 0 2 354.771 3.252 20 5 FGBDLN CC[C@H]1CCc2nc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)sc2C1 ZINC000119982937 700644844 /nfs/dbraw/zinc/64/48/44/700644844.db2.gz QMBYKCHBQUTCDB-QMMMGPOBSA-N 0 2 373.481 3.429 20 5 FGBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cs1 ZINC000120196587 700650410 /nfs/dbraw/zinc/65/04/10/700650410.db2.gz JEPBUKZONPDJHM-UHFFFAOYSA-N 0 2 351.365 3.112 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)cc1 ZINC000135248600 704840906 /nfs/dbraw/zinc/84/09/06/704840906.db2.gz SQDTVXWEZWRQCC-UHFFFAOYSA-N 0 2 361.351 3.105 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(C)c1O ZINC000175893510 705563377 /nfs/dbraw/zinc/56/33/77/705563377.db2.gz SLLHRFLZMASYSU-UHFFFAOYSA-N 0 2 354.359 3.166 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1F ZINC000754955454 722948154 /nfs/dbraw/zinc/94/81/54/722948154.db2.gz ZBIAYIIEMKFVFY-UHFFFAOYSA-N 0 2 372.349 3.381 20 5 FGBDLN O=C([O-])[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F ZINC000756364612 722963497 /nfs/dbraw/zinc/96/34/97/722963497.db2.gz OSKULZPQYMHAHT-CQSZACIVSA-N 0 2 356.712 3.442 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)c1F ZINC000795387808 723587378 /nfs/dbraw/zinc/58/73/78/723587378.db2.gz MDKLBUOBICZQNF-VIFPVBQESA-N 0 2 372.349 3.036 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000811723427 725378414 /nfs/dbraw/zinc/37/84/14/725378414.db2.gz MUEAXPWJJRDLOA-UHFFFAOYSA-N 0 2 371.802 3.015 20 5 FGBDLN COCCC[C@H](c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000842503723 730510351 /nfs/dbraw/zinc/51/03/51/730510351.db2.gz CROAWNKPAJESPD-BFHYXJOUSA-N 0 2 351.790 3.414 20 5 FGBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000048012111 493772425 /nfs/dbraw/zinc/77/24/25/493772425.db2.gz AHGVHCWFSHUSNY-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000058495361 493859120 /nfs/dbraw/zinc/85/91/20/493859120.db2.gz MFXCSMCOVGLGJL-UHFFFAOYSA-N 0 2 369.786 3.007 20 5 FGBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(OC(F)F)c1 ZINC000060673916 493951681 /nfs/dbraw/zinc/95/16/81/493951681.db2.gz KLQHEAFRXZLAIV-SECBINFHSA-N 0 2 352.293 3.393 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000069901590 494025641 /nfs/dbraw/zinc/02/56/41/494025641.db2.gz CTQBKLNWLLOLSN-UHFFFAOYSA-N 0 2 365.392 3.014 20 5 FGBDLN Cn1cc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000571307620 505703641 /nfs/dbraw/zinc/70/36/41/505703641.db2.gz HQPSEZYSGWOHAB-UHFFFAOYSA-N 0 2 373.796 3.418 20 5 FGBDLN COc1ccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OC)c1 ZINC000011584548 494181890 /nfs/dbraw/zinc/18/18/90/494181890.db2.gz VEZKRBVBZDVWLF-HNNXBMFYSA-N 0 2 372.377 3.295 20 5 FGBDLN CC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000580244116 505712105 /nfs/dbraw/zinc/71/21/05/505712105.db2.gz VMYSJCTXUOZFOT-CYBMUJFWSA-N 0 2 368.349 3.232 20 5 FGBDLN Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)n1 ZINC000089531504 494321653 /nfs/dbraw/zinc/32/16/53/494321653.db2.gz AUOTXIFQZSNZOH-UHFFFAOYSA-N 0 2 366.377 3.414 20 5 FGBDLN O=C(NCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073419081 494369904 /nfs/dbraw/zinc/36/99/04/494369904.db2.gz RJTNURVYMVAIGB-UHFFFAOYSA-N 0 2 355.375 3.354 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000055598374 494370308 /nfs/dbraw/zinc/37/03/08/494370308.db2.gz HZBKCKZANBNJMR-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000089892619 494394707 /nfs/dbraw/zinc/39/47/07/494394707.db2.gz JHIHGSGUUXSMCH-CQSZACIVSA-N 0 2 362.769 3.247 20 5 FGBDLN CC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000046015584 494486186 /nfs/dbraw/zinc/48/61/86/494486186.db2.gz CBBGBATZWJUHHL-UHFFFAOYSA-N 0 2 354.771 3.252 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncccc2-c2ccccc2)cc1 ZINC000092389348 494611555 /nfs/dbraw/zinc/61/15/55/494611555.db2.gz XGBLWBOEPYNMHE-UHFFFAOYSA-N 0 2 355.375 3.458 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000108452313 494710470 /nfs/dbraw/zinc/71/04/70/494710470.db2.gz GNGZXCZRGYIOQR-UHFFFAOYSA-N 0 2 371.440 3.158 20 5 FGBDLN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129838351 495303576 /nfs/dbraw/zinc/30/35/76/495303576.db2.gz RHFUVNAPSZSTRG-JOYOIKCWSA-N 0 2 350.733 3.379 20 5 FGBDLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000105388460 495361688 /nfs/dbraw/zinc/36/16/88/495361688.db2.gz MFLVYCABBXKZCL-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(F)cc1 ZINC000124920789 495364795 /nfs/dbraw/zinc/36/47/95/495364795.db2.gz PZCUBXZBVINYIB-UHFFFAOYSA-N 0 2 370.340 3.440 20 5 FGBDLN CN(Cc1cc(Br)cs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000130861385 495457317 /nfs/dbraw/zinc/45/73/17/495457317.db2.gz KKCWKWPFBBDPBK-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)c([N+](=O)[O-])c1 ZINC000142054829 495513256 /nfs/dbraw/zinc/51/32/56/495513256.db2.gz ZSCXNJHYABJUIO-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000142055695 495513812 /nfs/dbraw/zinc/51/38/12/495513812.db2.gz OGRYPLAAFRHWGC-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000179391157 495572636 /nfs/dbraw/zinc/57/26/36/495572636.db2.gz XOUCKHDWIQPVEI-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1cccc([N+](=O)[O-])c1 ZINC000176276496 495574451 /nfs/dbraw/zinc/57/44/51/495574451.db2.gz WFFWGRYDMPOPQG-LLVKDONJSA-N 0 2 370.340 3.116 20 5 FGBDLN CSc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1Cl ZINC000185689709 495681107 /nfs/dbraw/zinc/68/11/07/495681107.db2.gz PKBQBCGBQJFHDF-UHFFFAOYSA-N 0 2 373.843 3.474 20 5 FGBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000160650398 496011485 /nfs/dbraw/zinc/01/14/85/496011485.db2.gz POSRGDDSVZHZBV-UHFFFAOYSA-N 0 2 367.390 3.077 20 5 FGBDLN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155960269 496118546 /nfs/dbraw/zinc/11/85/46/496118546.db2.gz WYNZQMXIKQNPKE-UHFFFAOYSA-N 0 2 366.377 3.284 20 5 FGBDLN COCCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc21 ZINC000180772679 496141309 /nfs/dbraw/zinc/14/13/09/496141309.db2.gz MQAQTCYZDCWJOF-UHFFFAOYSA-N 0 2 355.350 3.154 20 5 FGBDLN O=C(COc1ccc(Br)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183899911 496153210 /nfs/dbraw/zinc/15/32/10/496153210.db2.gz VIDGHZWEPQOQNQ-UHFFFAOYSA-N 0 2 367.155 3.080 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H]2CCCCN2c2ccccc21 ZINC000569026763 505833558 /nfs/dbraw/zinc/83/35/58/505833558.db2.gz DVTKVNYLTVJZHN-AWEZNQCLSA-N 0 2 353.378 3.320 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1 ZINC000162329108 496337606 /nfs/dbraw/zinc/33/76/06/496337606.db2.gz FGSNVYOSHOMJTB-UHFFFAOYSA-N 0 2 361.301 3.118 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 ZINC000157690596 496529981 /nfs/dbraw/zinc/52/99/81/496529981.db2.gz GEZDLHADZVCWQD-UHFFFAOYSA-N 0 2 359.363 3.359 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccnc1-c1ccccc1 ZINC000164985457 496642895 /nfs/dbraw/zinc/64/28/95/496642895.db2.gz JMAWSKRWEYGNQZ-UHFFFAOYSA-N 0 2 355.375 3.458 20 5 FGBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000165161040 496649918 /nfs/dbraw/zinc/64/99/18/496649918.db2.gz OZZQBHWOJUJCEH-UHFFFAOYSA-N 0 2 360.313 3.430 20 5 FGBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000166087392 496676503 /nfs/dbraw/zinc/67/65/03/496676503.db2.gz HQKXQMSQWIYFMN-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000166108325 496678426 /nfs/dbraw/zinc/67/84/26/496678426.db2.gz RLRYQNZQFPYGIJ-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000182131516 496681722 /nfs/dbraw/zinc/68/17/22/496681722.db2.gz DVLQHWOHYUMSPN-UHFFFAOYSA-N 0 2 368.345 3.442 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000185308303 496727132 /nfs/dbraw/zinc/72/71/32/496727132.db2.gz FSNUZJSTXGLKAH-RHSMWYFYSA-N 0 2 374.368 3.168 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3nnco3)c2)c1[N+](=O)[O-] ZINC000191784966 496888586 /nfs/dbraw/zinc/88/85/86/496888586.db2.gz SYCKWXDZTQCGMP-UHFFFAOYSA-N 0 2 374.378 3.062 20 5 FGBDLN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000189501424 497140118 /nfs/dbraw/zinc/14/01/18/497140118.db2.gz RJTDFFLRNKOGNG-IBGZPJMESA-N 0 2 358.394 3.104 20 5 FGBDLN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000276525100 497592727 /nfs/dbraw/zinc/59/27/27/497592727.db2.gz CMSXXPMNRGMTCK-JSGCOSHPSA-N 0 2 358.350 3.060 20 5 FGBDLN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]2C ZINC000332504132 498705749 /nfs/dbraw/zinc/70/57/49/498705749.db2.gz FDNZLSNJFCMRIG-RYUDHWBXSA-N 0 2 356.378 3.457 20 5 FGBDLN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]2C ZINC000332504128 498705960 /nfs/dbraw/zinc/70/59/60/498705960.db2.gz FDNZLSNJFCMRIG-NWDGAFQWSA-N 0 2 356.378 3.457 20 5 FGBDLN CCc1ccc(O)c(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000325522936 498837041 /nfs/dbraw/zinc/83/70/41/498837041.db2.gz KBVBGFYNCYNTTL-UHFFFAOYSA-N 0 2 350.396 3.280 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000367515836 499208095 /nfs/dbraw/zinc/20/80/95/499208095.db2.gz XRKZFYFNCLVZHS-LBPRGKRZSA-N 0 2 367.361 3.461 20 5 FGBDLN O=C(N[C@H](c1ccccc1)C1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000369348325 499394299 /nfs/dbraw/zinc/39/42/99/499394299.db2.gz SMOZWXWALWOOJC-GOSISDBHSA-N 0 2 356.378 3.198 20 5 FGBDLN Cn1cc(-c2cc(F)ccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000373657403 499482254 /nfs/dbraw/zinc/48/22/54/499482254.db2.gz QBRSYQVUHDDMMN-UHFFFAOYSA-N 0 2 356.313 3.092 20 5 FGBDLN O=C(NCc1ccsc1Br)c1ccc([N+](=O)[O-])c(O)c1 ZINC000388508994 499551256 /nfs/dbraw/zinc/55/12/56/499551256.db2.gz OVLHHRQICAFBEX-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)cccc1F ZINC000410406390 499660866 /nfs/dbraw/zinc/66/08/66/499660866.db2.gz UKOVIDFBDZAIIW-UHFFFAOYSA-N 0 2 354.359 3.242 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1C ZINC000414371324 499782333 /nfs/dbraw/zinc/78/23/33/499782333.db2.gz IBQBLYXCPWCYJC-UHFFFAOYSA-N 0 2 366.443 3.317 20 5 FGBDLN COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000422044894 500204852 /nfs/dbraw/zinc/20/48/52/500204852.db2.gz KTQCFSAMDQTABY-UHFFFAOYSA-N 0 2 372.377 3.122 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)c([N+](=O)[O-])c1 ZINC000425968775 500218124 /nfs/dbraw/zinc/21/81/24/500218124.db2.gz UBPVJQHDHCBOGM-UHFFFAOYSA-N 0 2 360.391 3.223 20 5 FGBDLN COC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000426511237 500282375 /nfs/dbraw/zinc/28/23/75/500282375.db2.gz QWUSDARNICTCHI-ZDUSSCGKSA-N 0 2 350.758 3.071 20 5 FGBDLN CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000427980910 500454333 /nfs/dbraw/zinc/45/43/33/500454333.db2.gz BFEJOMXTKLSOND-UHFFFAOYSA-N 0 2 358.354 3.003 20 5 FGBDLN CC(C)Cn1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000576606740 506197326 /nfs/dbraw/zinc/19/73/26/506197326.db2.gz SZNUBVHYJALNPG-UHFFFAOYSA-N 0 2 354.313 3.343 20 5 FGBDLN O=C(N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436938745 500574898 /nfs/dbraw/zinc/57/48/98/500574898.db2.gz MMADQVOLVFHKCA-GUYCJALGSA-N 0 2 360.341 3.090 20 5 FGBDLN O=C(N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436938743 500575494 /nfs/dbraw/zinc/57/54/94/500575494.db2.gz MMADQVOLVFHKCA-CXAGYDPISA-N 0 2 360.341 3.090 20 5 FGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H](COC)Cc1ccccc1 ZINC000436972729 500583353 /nfs/dbraw/zinc/58/33/53/500583353.db2.gz PLUSMMYSVOQGOW-MRXNPFEDSA-N 0 2 358.394 3.020 20 5 FGBDLN Cc1ccnc(Oc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)n1 ZINC000436975615 500584605 /nfs/dbraw/zinc/58/46/05/500584605.db2.gz LRBJSMJWCIZMOE-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000436984126 500586005 /nfs/dbraw/zinc/58/60/05/500586005.db2.gz LTFCSVOCVLHCMT-HNNXBMFYSA-N 0 2 374.368 3.261 20 5 FGBDLN COCCC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436999411 500590161 /nfs/dbraw/zinc/59/01/61/500590161.db2.gz LJGNWQVXVYICSZ-OAHLLOKOSA-N 0 2 358.394 3.068 20 5 FGBDLN COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000443422849 500722967 /nfs/dbraw/zinc/72/29/67/500722967.db2.gz OVUZCHTVAWIPPJ-UHFFFAOYSA-N 0 2 366.395 3.030 20 5 FGBDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)Nc2cccc([N+](=O)[O-])c2)=N1 ZINC000434229891 500813502 /nfs/dbraw/zinc/81/35/02/500813502.db2.gz XHUAJYHEOYGOPO-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000434974601 500917857 /nfs/dbraw/zinc/91/78/57/500917857.db2.gz UBNAFBILKOCLRA-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000434974601 500917860 /nfs/dbraw/zinc/91/78/60/500917860.db2.gz UBNAFBILKOCLRA-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN COc1cc(OC)c(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1OC ZINC000445181264 500952535 /nfs/dbraw/zinc/95/25/35/500952535.db2.gz AXNVBYGRCLXPAQ-UHFFFAOYSA-N 0 2 373.321 3.043 20 5 FGBDLN O=C(c1cc(F)c(O)c(F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436524079 501147588 /nfs/dbraw/zinc/14/75/88/501147588.db2.gz YEDQSLQAWWPEJL-MRXNPFEDSA-N 0 2 366.345 3.466 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000436670368 501183945 /nfs/dbraw/zinc/18/39/45/501183945.db2.gz QMVWUUUFJNGKNT-HNNXBMFYSA-N 0 2 370.361 3.049 20 5 FGBDLN COc1ccc2nc(C)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2c1 ZINC000436706669 501193187 /nfs/dbraw/zinc/19/31/87/501193187.db2.gz VTUFBTKEVYNAFK-UHFFFAOYSA-N 0 2 353.334 3.418 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000436729149 501199034 /nfs/dbraw/zinc/19/90/34/501199034.db2.gz QAPDBAPEQJFKKU-QGZVFWFLSA-N 0 2 366.295 3.290 20 5 FGBDLN O=C(NCCc1csc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000436866833 501223788 /nfs/dbraw/zinc/22/37/88/501223788.db2.gz AGPJMHIMLKNHPI-UHFFFAOYSA-N 0 2 369.402 3.396 20 5 FGBDLN CCCN1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000436885369 501227238 /nfs/dbraw/zinc/22/72/38/501227238.db2.gz CUNVYWQRESRNLS-UHFFFAOYSA-N 0 2 359.357 3.316 20 5 FGBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000485882915 501975022 /nfs/dbraw/zinc/97/50/22/501975022.db2.gz MYERVDDPVJLQHZ-UHFFFAOYSA-N 0 2 372.406 3.403 20 5 FGBDLN CC(C)c1cccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464416417 501983297 /nfs/dbraw/zinc/98/32/97/501983297.db2.gz BONRGYDDGVVPOD-UHFFFAOYSA-N 0 2 372.406 3.462 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccncc3)cc2F)[nH]1 ZINC000486030307 502023269 /nfs/dbraw/zinc/02/32/69/502023269.db2.gz WDBPFTLFAIFNGK-ONEGZZNKSA-N 0 2 354.297 3.168 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Br)c(Cl)c2)[nH]1 ZINC000486075040 502037415 /nfs/dbraw/zinc/03/74/15/502037415.db2.gz HZLMHMADTUECLX-RQOWECAXSA-N 0 2 372.562 3.382 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)c1C ZINC000461222331 502043893 /nfs/dbraw/zinc/04/38/93/502043893.db2.gz UEPVOVYSCMEUIN-UHFFFAOYSA-N 0 2 361.423 3.286 20 5 FGBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000478680098 502055841 /nfs/dbraw/zinc/05/58/41/502055841.db2.gz YSZXHAHEYBBWEJ-SNVBAGLBSA-N 0 2 350.400 3.008 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2cn[nH]c2cc1C ZINC000479117641 502168942 /nfs/dbraw/zinc/16/89/42/502168942.db2.gz BSJXCBFMIFXCIG-UHFFFAOYSA-N 0 2 360.395 3.143 20 5 FGBDLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000479129496 502172349 /nfs/dbraw/zinc/17/23/49/502172349.db2.gz MBRINZJSZHMRMR-UHFFFAOYSA-N 0 2 366.786 3.234 20 5 FGBDLN COc1cc(S(=O)(=O)Nc2ccccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000468952927 502241730 /nfs/dbraw/zinc/24/17/30/502241730.db2.gz LXBHCLMMUSZNFG-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN Cc1ccsc1-c1nc(=NC(=O)c2cc(F)cc([N+](=O)[O-])c2)s[nH]1 ZINC000472261634 502287953 /nfs/dbraw/zinc/28/79/53/502287953.db2.gz SYCLRDGOLSDKHL-UHFFFAOYSA-N 0 2 364.383 3.297 20 5 FGBDLN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000469713854 502513033 /nfs/dbraw/zinc/51/30/33/502513033.db2.gz QRSUSODVZMQXIG-ZDUSSCGKSA-N 0 2 372.352 3.175 20 5 FGBDLN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000473087481 502516924 /nfs/dbraw/zinc/51/69/24/502516924.db2.gz SCNHUZSAMMAQFS-GXTWGEPZSA-N 0 2 358.350 3.060 20 5 FGBDLN COc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1O ZINC000484237519 502605523 /nfs/dbraw/zinc/60/55/23/502605523.db2.gz XWUXNPXWDUNBJH-UHFFFAOYSA-N 0 2 372.786 3.072 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc(OCC(C)C)nc2)cc1[N+](=O)[O-] ZINC000466963904 502740589 /nfs/dbraw/zinc/74/05/89/502740589.db2.gz MADHQRUPTXPHIK-UHFFFAOYSA-N 0 2 371.440 3.195 20 5 FGBDLN Cc1sc(S(=O)(=O)Nc2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000466963520 502740746 /nfs/dbraw/zinc/74/07/46/502740746.db2.gz KHZXMUFAWNLROO-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505235144 502874919 /nfs/dbraw/zinc/87/49/19/502874919.db2.gz GCJQCQTUCNMXRK-HNNXBMFYSA-N 0 2 358.350 3.111 20 5 FGBDLN COc1cccc(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000509507215 502921311 /nfs/dbraw/zinc/92/13/11/502921311.db2.gz KREHHSGDEAQEGY-UHFFFAOYSA-N 0 2 356.378 3.329 20 5 FGBDLN CCCOc1ccccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000515621995 503375910 /nfs/dbraw/zinc/37/59/10/503375910.db2.gz CUVNJCNBVCWWBW-UHFFFAOYSA-N 0 2 350.396 3.493 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(SC)c1 ZINC000509088297 503638690 /nfs/dbraw/zinc/63/86/90/503638690.db2.gz BCBSRAAALFCOGH-UHFFFAOYSA-N 0 2 354.409 3.126 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]nc1-c1ccccc1 ZINC000540210002 503711332 /nfs/dbraw/zinc/71/13/32/503711332.db2.gz XEWRKOSDUUAEQK-UHFFFAOYSA-N 0 2 364.408 3.156 20 5 FGBDLN CC(C)(C)c1nc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)s[nH]1 ZINC000546529248 503777392 /nfs/dbraw/zinc/77/73/92/503777392.db2.gz DFDUCFIMKZBHFE-UHFFFAOYSA-N 0 2 366.418 3.221 20 5 FGBDLN Cn1c2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2nc1C1CC1 ZINC000540587972 503824106 /nfs/dbraw/zinc/82/41/06/503824106.db2.gz ZCJVOKYSFCIICA-UHFFFAOYSA-N 0 2 352.350 3.317 20 5 FGBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC(F)F ZINC000534056737 504028126 /nfs/dbraw/zinc/02/81/26/504028126.db2.gz JCXXBPPTOOJQRX-UHFFFAOYSA-N 0 2 354.265 3.163 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(SC)ccc1C ZINC000538297008 504195110 /nfs/dbraw/zinc/19/51/10/504195110.db2.gz SLRMSBDFDRCGIL-UHFFFAOYSA-N 0 2 368.436 3.435 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000538870448 504400033 /nfs/dbraw/zinc/40/00/33/504400033.db2.gz GVVVKJCHSAKIKG-GOSISDBHSA-N 0 2 372.377 3.176 20 5 FGBDLN CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000539072263 504464932 /nfs/dbraw/zinc/46/49/32/504464932.db2.gz GBPQBFZHCYAUQX-UHFFFAOYSA-N 0 2 357.366 3.035 20 5 FGBDLN CC(C)[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000539381924 504549035 /nfs/dbraw/zinc/54/90/35/504549035.db2.gz XBJNEZOTMHTBAJ-HNNXBMFYSA-N 0 2 354.366 3.304 20 5 FGBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000539423216 504567416 /nfs/dbraw/zinc/56/74/16/504567416.db2.gz CRWIPKPWKVXROJ-HNNXBMFYSA-N 0 2 355.394 3.041 20 5 FGBDLN CCOc1ccc(OC(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000536191549 504661833 /nfs/dbraw/zinc/66/18/33/504661833.db2.gz KCBNWXOBBIOCFL-UHFFFAOYSA-N 0 2 360.366 3.495 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(COC2CCOCC2)c1 ZINC000536193817 504662406 /nfs/dbraw/zinc/66/24/06/504662406.db2.gz VGRXVNMCTANHET-UHFFFAOYSA-N 0 2 372.377 3.248 20 5 FGBDLN O=C(Nc1cc(Cl)cc(Br)c1O)c1ccc([N+](=O)[O-])[nH]1 ZINC000536216541 504669043 /nfs/dbraw/zinc/66/90/43/504669043.db2.gz WLWHPSVBONWWEJ-UHFFFAOYSA-N 0 2 360.551 3.297 20 5 FGBDLN O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000550153595 504979790 /nfs/dbraw/zinc/97/97/90/504979790.db2.gz USABKFGCBAPEKV-CQSZACIVSA-N 0 2 373.416 3.232 20 5 FGBDLN CC(C)(C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000557087768 505062433 /nfs/dbraw/zinc/06/24/33/505062433.db2.gz RXCKZHTWOUFZSF-UHFFFAOYSA-N 0 2 367.365 3.002 20 5 FGBDLN CC(C)(CNC(=O)c1cccc(O)c1[N+](=O)[O-])Oc1cc(F)cc(F)c1 ZINC000557364724 505116783 /nfs/dbraw/zinc/11/67/83/505116783.db2.gz IYNBYKSCTVSHNX-UHFFFAOYSA-N 0 2 366.320 3.166 20 5 FGBDLN CCOc1cc(Cl)ccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560606246 505141879 /nfs/dbraw/zinc/14/18/79/505141879.db2.gz RYCJJGZJWRDPKW-UHFFFAOYSA-N 0 2 350.758 3.283 20 5 FGBDLN Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000560892494 505208145 /nfs/dbraw/zinc/20/81/45/505208145.db2.gz LWVCKROWMIKDHN-INIZCTEOSA-N 0 2 352.350 3.228 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(SC)n1 ZINC000566642838 505229923 /nfs/dbraw/zinc/22/99/23/505229923.db2.gz NQQIJNCVFUMPEC-UHFFFAOYSA-N 0 2 353.425 3.075 20 5 FGBDLN COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(Cl)c1 ZINC000564539621 505446589 /nfs/dbraw/zinc/44/65/89/505446589.db2.gz AIGMTAGUGXLSMH-ZDUSSCGKSA-N 0 2 350.758 3.071 20 5 FGBDLN Cc1ccnc(Oc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)n1 ZINC000552326435 505461459 /nfs/dbraw/zinc/46/14/59/505461459.db2.gz RECMVCWRELUCDX-UHFFFAOYSA-N 0 2 366.333 3.443 20 5 FGBDLN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000552591180 505518934 /nfs/dbraw/zinc/51/89/34/505518934.db2.gz MTCGLLHVBUXSAE-SFHVURJKSA-N 0 2 362.332 3.459 20 5 FGBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1C[C@H]1CCCOC1 ZINC000599714710 506599320 /nfs/dbraw/zinc/59/93/20/506599320.db2.gz ZFPPMOFGRRXXHC-CQSZACIVSA-N 0 2 373.409 3.398 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1O ZINC000603977935 506678585 /nfs/dbraw/zinc/67/85/85/506678585.db2.gz XOQQHFPHIDPMNW-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000603982907 506680194 /nfs/dbraw/zinc/68/01/94/506680194.db2.gz VGSYJQIQAWEMAX-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN COc1ccccc1C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593732547 506752834 /nfs/dbraw/zinc/75/28/34/506752834.db2.gz NKPOCDSJKVXAGF-UHFFFAOYSA-N 0 2 356.378 3.466 20 5 FGBDLN COc1ccccc1C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593732547 506752841 /nfs/dbraw/zinc/75/28/41/506752841.db2.gz NKPOCDSJKVXAGF-UHFFFAOYSA-N 0 2 356.378 3.466 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000593737591 506753740 /nfs/dbraw/zinc/75/37/40/506753740.db2.gz QHRDSOQBLKJQRD-SFHVURJKSA-N 0 2 370.405 3.127 20 5 FGBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000593737591 506753749 /nfs/dbraw/zinc/75/37/49/506753749.db2.gz QHRDSOQBLKJQRD-SFHVURJKSA-N 0 2 370.405 3.127 20 5 FGBDLN Cc1cc([C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCO2)ccc1F ZINC000593738112 506754087 /nfs/dbraw/zinc/75/40/87/506754087.db2.gz MWNINJSWDDLKAZ-SFHVURJKSA-N 0 2 374.368 3.314 20 5 FGBDLN Cc1cc([C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCO2)ccc1F ZINC000593738112 506754094 /nfs/dbraw/zinc/75/40/94/506754094.db2.gz MWNINJSWDDLKAZ-SFHVURJKSA-N 0 2 374.368 3.314 20 5 FGBDLN Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000609027243 506765147 /nfs/dbraw/zinc/76/51/47/506765147.db2.gz CSQBMQFUVOBOHE-UHFFFAOYSA-N 0 2 371.212 3.467 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OC(C)C)c1 ZINC000590744906 506934786 /nfs/dbraw/zinc/93/47/86/506934786.db2.gz MDNJCRBVCRKFJA-UHFFFAOYSA-N 0 2 366.395 3.191 20 5 FGBDLN CC[C@@H](C)c1nc(C)c(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)n1 ZINC000594337403 507084889 /nfs/dbraw/zinc/08/48/89/507084889.db2.gz NTOLOGRXMYCUHJ-SNVBAGLBSA-N 0 2 358.398 3.402 20 5 FGBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(Br)c1 ZINC000613928053 507304315 /nfs/dbraw/zinc/30/43/15/507304315.db2.gz MOHWZMWKMUXMKV-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000598224429 507327890 /nfs/dbraw/zinc/32/78/90/507327890.db2.gz SIDCLWVWJSTKKU-INIZCTEOSA-N 0 2 374.368 3.432 20 5 FGBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)ccc1Cl ZINC000007428299 695568850 /nfs/dbraw/zinc/56/88/50/695568850.db2.gz OSHFKVJSUZRHOM-UHFFFAOYSA-N 0 2 366.704 3.466 20 5 FGBDLN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ccsc1 ZINC000097653502 700463899 /nfs/dbraw/zinc/46/38/99/700463899.db2.gz PHVQZQVNVNUWLS-UHFFFAOYSA-N 0 2 363.214 3.220 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000132944231 700833224 /nfs/dbraw/zinc/83/32/24/700833224.db2.gz SHXFFPUATCBNGX-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000192856220 712875573 /nfs/dbraw/zinc/87/55/73/712875573.db2.gz BDSBNPIKUMDLDP-UHFFFAOYSA-N 0 2 353.425 3.039 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c(Cl)c1 ZINC000193775019 713498593 /nfs/dbraw/zinc/49/85/93/713498593.db2.gz JRWRUJJDSMNXTQ-UHFFFAOYSA-N 0 2 373.843 3.384 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000195437960 713556237 /nfs/dbraw/zinc/55/62/37/713556237.db2.gz HVNGZKZFBFZDOR-UHFFFAOYSA-N 0 2 362.194 3.406 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000619466707 714839775 /nfs/dbraw/zinc/83/97/75/714839775.db2.gz KVBZQVSACKLGHL-UHFFFAOYSA-N 0 2 361.379 3.194 20 5 FGBDLN COc1cc(C)cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C ZINC000782486206 724674683 /nfs/dbraw/zinc/67/46/83/724674683.db2.gz SGTHXQNXQYNJMH-UHFFFAOYSA-N 0 2 368.386 3.469 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c1F ZINC000760354748 723051238 /nfs/dbraw/zinc/05/12/38/723051238.db2.gz DASATONBGXOCOK-UHFFFAOYSA-N 0 2 366.370 3.168 20 5 FGBDLN O=C(NCc1ccc(Br)cc1F)c1cc(O)ccc1[N+](=O)[O-] ZINC000796381465 723635550 /nfs/dbraw/zinc/63/55/50/723635550.db2.gz ZDRVGSDMOXMPTN-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cnc1Br ZINC000773886470 723835477 /nfs/dbraw/zinc/83/54/77/723835477.db2.gz XNPDSPCFGGNWKX-UHFFFAOYSA-N 0 2 352.144 3.019 20 5 FGBDLN COc1ccc(Br)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776195156 724117416 /nfs/dbraw/zinc/11/74/16/724117416.db2.gz PJLNILLUFIKXNI-UHFFFAOYSA-N 0 2 367.155 3.324 20 5 FGBDLN Cc1[nH+]c2ccc(Cl)cn2c1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000785552137 724921271 /nfs/dbraw/zinc/92/12/71/724921271.db2.gz QKNIJKAIWJAGKJ-UHFFFAOYSA-N 0 2 372.815 3.067 20 5 FGBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H](c1ccccc1)C(F)F ZINC000814284908 726953645 /nfs/dbraw/zinc/95/36/45/726953645.db2.gz CXNJAQOQVQGDEU-LBPRGKRZSA-N 0 2 360.313 3.019 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(Cl)c1 ZINC000573952848 505659204 /nfs/dbraw/zinc/65/92/04/505659204.db2.gz WRIUBTMTDPGHHU-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN O=C(NCc1ccccc1OC(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000028688429 493797727 /nfs/dbraw/zinc/79/77/27/493797727.db2.gz RHALYBMBXYLWTG-UHFFFAOYSA-N 0 2 356.256 3.129 20 5 FGBDLN O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031266574 493935377 /nfs/dbraw/zinc/93/53/77/493935377.db2.gz DECUUZMHZOSHRV-OAHLLOKOSA-N 0 2 358.350 3.111 20 5 FGBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000007054267 493996646 /nfs/dbraw/zinc/99/66/46/493996646.db2.gz MNDXCLQVKHFJMX-UHFFFAOYSA-N 0 2 363.178 3.408 20 5 FGBDLN COc1cc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000007381448 494018329 /nfs/dbraw/zinc/01/83/29/494018329.db2.gz VWHYFCDQIRRNNC-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])ccc1C ZINC000066588216 494360386 /nfs/dbraw/zinc/36/03/86/494360386.db2.gz GJXRZZRWIMNDQV-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CSC)cc1 ZINC000066588275 494360699 /nfs/dbraw/zinc/36/06/99/494360699.db2.gz IOZQZVNXAHGAHR-UHFFFAOYSA-N 0 2 368.436 3.267 20 5 FGBDLN CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000025165024 494705201 /nfs/dbraw/zinc/70/52/01/494705201.db2.gz BRIDCXKPHBFGPP-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132531924 494889085 /nfs/dbraw/zinc/88/90/85/494889085.db2.gz MUKPHPLHBAFIFA-SFHVURJKSA-N 0 2 367.336 3.354 20 5 FGBDLN CO[C@@H](C)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119106903 495093867 /nfs/dbraw/zinc/09/38/67/495093867.db2.gz CGFAMDYPQXFZEH-VIFPVBQESA-N 0 2 356.425 3.473 20 5 FGBDLN O=C(N[C@H]1CCC[C@H]1OCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000130076888 495338364 /nfs/dbraw/zinc/33/83/64/495338364.db2.gz XIRBRNDDQLJNBZ-MAUKXSAKSA-N 0 2 356.378 3.168 20 5 FGBDLN O=C(Nc1[nH]nc2c1cccc2Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000154255283 495558533 /nfs/dbraw/zinc/55/85/33/495558533.db2.gz HIPMOKQCOATXID-UHFFFAOYSA-N 0 2 356.729 3.253 20 5 FGBDLN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179532487 495630121 /nfs/dbraw/zinc/63/01/21/495630121.db2.gz LXZODINUGWLQTA-UHFFFAOYSA-N 0 2 361.301 3.048 20 5 FGBDLN CC(C)c1cnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000182723667 495677702 /nfs/dbraw/zinc/67/77/02/495677702.db2.gz QUPJSKNESLYYNJ-UHFFFAOYSA-N 0 2 355.441 3.159 20 5 FGBDLN COc1ccc(C[C@@H](C)CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000185789359 495726098 /nfs/dbraw/zinc/72/60/98/495726098.db2.gz CMDVYMULLKZFOW-CYBMUJFWSA-N 0 2 358.394 3.260 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000171154943 495746772 /nfs/dbraw/zinc/74/67/72/495746772.db2.gz GPZLEXGLXNDAOL-UHFFFAOYSA-N 0 2 353.425 3.292 20 5 FGBDLN C[C@H](Cc1nc2ccccc2s1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171472879 495889725 /nfs/dbraw/zinc/88/97/25/495889725.db2.gz QEADGBLFZBRSAR-SNVBAGLBSA-N 0 2 357.391 3.271 20 5 FGBDLN CCCCn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000160193095 495905656 /nfs/dbraw/zinc/90/56/56/495905656.db2.gz PGODXJXAKKCUEU-UHFFFAOYSA-N 0 2 352.416 3.009 20 5 FGBDLN COc1cc(F)cc2sc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)nc21 ZINC000160306729 495931368 /nfs/dbraw/zinc/93/13/68/495931368.db2.gz SWPMTYLEEFIZAE-UHFFFAOYSA-N 0 2 363.326 3.310 20 5 FGBDLN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183549538 496026893 /nfs/dbraw/zinc/02/68/93/496026893.db2.gz UWMDUZRRMKTNGN-UHFFFAOYSA-N 0 2 372.768 3.451 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000184543966 496432764 /nfs/dbraw/zinc/43/27/64/496432764.db2.gz PLXVIFHSNOBCDO-CXAGYDPISA-N 0 2 374.393 3.402 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000187536837 496481709 /nfs/dbraw/zinc/48/17/09/496481709.db2.gz ABIUORWBRREYKZ-INIZCTEOSA-N 0 2 362.769 3.168 20 5 FGBDLN O=C(Nc1cccc(N2CCCCC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164187106 496593050 /nfs/dbraw/zinc/59/30/50/496593050.db2.gz PBULNJXXOZABTQ-UHFFFAOYSA-N 0 2 355.350 3.070 20 5 FGBDLN O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164485770 496613705 /nfs/dbraw/zinc/61/37/05/496613705.db2.gz PBCOCAUQFGSLNW-UHFFFAOYSA-N 0 2 365.349 3.215 20 5 FGBDLN COc1ccc(C[C@H](C)CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000580908363 505865703 /nfs/dbraw/zinc/86/57/03/505865703.db2.gz JTYGMBJIYUCNKV-ZDUSSCGKSA-N 0 2 358.394 3.260 20 5 FGBDLN CCn1ncc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc21 ZINC000195327776 496890705 /nfs/dbraw/zinc/89/07/05/496890705.db2.gz NTKRBIDLZBBGDJ-UHFFFAOYSA-N 0 2 374.422 3.382 20 5 FGBDLN COc1cc(F)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189245970 497057206 /nfs/dbraw/zinc/05/72/06/497057206.db2.gz LFYJOABTFXMKMP-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000189350065 497091287 /nfs/dbraw/zinc/09/12/87/497091287.db2.gz WZEOHUKGVJZVQA-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN O=C(NCc1ccc(Br)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000236561723 497117112 /nfs/dbraw/zinc/11/71/12/497117112.db2.gz JAODYNMVSAEIGW-UHFFFAOYSA-N 0 2 357.185 3.054 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000578457258 505944019 /nfs/dbraw/zinc/94/40/19/505944019.db2.gz MTIGNJPFGQJJRY-UHFFFAOYSA-N 0 2 360.395 3.197 20 5 FGBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H](C)CO1 ZINC000331499785 498351566 /nfs/dbraw/zinc/35/15/66/498351566.db2.gz HDCWYUHLYOJHPA-GUYCJALGSA-N 0 2 356.378 3.211 20 5 FGBDLN COc1cccc(NC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000375759081 499552380 /nfs/dbraw/zinc/55/23/80/499552380.db2.gz QBZFBIKGZUIRIM-UHFFFAOYSA-N 0 2 371.393 3.026 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000410409408 499660881 /nfs/dbraw/zinc/66/08/81/499660881.db2.gz USVOZFOLBXORDT-UHFFFAOYSA-N 0 2 373.390 3.343 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000414385219 499784434 /nfs/dbraw/zinc/78/44/34/499784434.db2.gz VGOFREXWWYKZDE-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN Cc1c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cnn1CC(C)C ZINC000414386245 499784745 /nfs/dbraw/zinc/78/47/45/499784745.db2.gz WJMBGUHDOCKQAI-UHFFFAOYSA-N 0 2 366.443 3.173 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416261501 499999413 /nfs/dbraw/zinc/99/94/13/499999413.db2.gz VCBLWVWFPWNUAH-ZDUSSCGKSA-N 0 2 362.332 3.426 20 5 FGBDLN O=C(N=c1cccn[nH]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000429526335 500093473 /nfs/dbraw/zinc/09/34/73/500093473.db2.gz GPPGGEDAWDYQHS-UHFFFAOYSA-N 0 2 352.375 3.210 20 5 FGBDLN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579496230 506189221 /nfs/dbraw/zinc/18/92/21/506189221.db2.gz AKDITWXJOIPPRS-GUYCJALGSA-N 0 2 372.425 3.327 20 5 FGBDLN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000579496230 506189225 /nfs/dbraw/zinc/18/92/25/506189225.db2.gz AKDITWXJOIPPRS-GUYCJALGSA-N 0 2 372.425 3.327 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c1 ZINC000427780826 500431900 /nfs/dbraw/zinc/43/19/00/500431900.db2.gz OFGIWAVKQPAWJM-UHFFFAOYSA-N 0 2 353.400 3.298 20 5 FGBDLN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436929978 500572506 /nfs/dbraw/zinc/57/25/06/500572506.db2.gz GIFJWUTXTUALDI-GFCCVEGCSA-N 0 2 368.311 3.451 20 5 FGBDLN COc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436957370 500579028 /nfs/dbraw/zinc/57/90/28/500579028.db2.gz XEOJBYNWYHTSTM-NSHDSACASA-N 0 2 360.366 3.117 20 5 FGBDLN Cc1cnn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2F)c1 ZINC000436985829 500586843 /nfs/dbraw/zinc/58/68/43/500586843.db2.gz DIZPDUPVMCRMRH-UHFFFAOYSA-N 0 2 356.313 3.186 20 5 FGBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000437184499 500611929 /nfs/dbraw/zinc/61/19/29/500611929.db2.gz DAWNKOIPGHULKU-UHFFFAOYSA-N 0 2 370.456 3.459 20 5 FGBDLN CCC(=O)Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000445211772 500954800 /nfs/dbraw/zinc/95/48/00/500954800.db2.gz RPHXGKJNFZJTHU-UHFFFAOYSA-N 0 2 354.322 3.366 20 5 FGBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cn3)no2)cc1O ZINC000445387081 500979754 /nfs/dbraw/zinc/97/97/54/500979754.db2.gz WAEZYAIPJVFDFY-UHFFFAOYSA-N 0 2 363.127 3.175 20 5 FGBDLN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000446981116 501190712 /nfs/dbraw/zinc/19/07/12/501190712.db2.gz XNULCYWEYFTDIS-UHFFFAOYSA-N 0 2 374.303 3.231 20 5 FGBDLN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436707638 501193298 /nfs/dbraw/zinc/19/32/98/501193298.db2.gz PEJGBTSNQWUCDY-CYBMUJFWSA-N 0 2 354.284 3.376 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000436729148 501199137 /nfs/dbraw/zinc/19/91/37/501199137.db2.gz QAPDBAPEQJFKKU-KRWDZBQOSA-N 0 2 366.295 3.290 20 5 FGBDLN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1 ZINC000450987759 501237109 /nfs/dbraw/zinc/23/71/09/501237109.db2.gz YBJOITRPMFDYNW-MRXNPFEDSA-N 0 2 350.396 3.033 20 5 FGBDLN COc1cccc(-c2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cs2)c1 ZINC000486078774 502039877 /nfs/dbraw/zinc/03/98/77/502039877.db2.gz VOEIPHQEJRQNOC-AATRIKPKSA-N 0 2 372.362 3.099 20 5 FGBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)cc2Br)[nH]1 ZINC000486103128 502047350 /nfs/dbraw/zinc/04/73/50/502047350.db2.gz MIWRQPKVAYSLAE-DUXPYHPUSA-N 0 2 372.562 3.382 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000478680095 502055653 /nfs/dbraw/zinc/05/56/53/502055653.db2.gz YSZXHAHEYBBWEJ-JTQLQIEISA-N 0 2 350.400 3.008 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000478707498 502064478 /nfs/dbraw/zinc/06/44/78/502064478.db2.gz YTNOLMZLSXNYHB-QMMMGPOBSA-N 0 2 356.429 3.069 20 5 FGBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000471969383 502187031 /nfs/dbraw/zinc/18/70/31/502187031.db2.gz SQQRQOKWYNXASE-UHFFFAOYSA-N 0 2 360.750 3.202 20 5 FGBDLN O=[N+]([O-])c1cc(Cl)ccc1CCNc1nc(C2CCOCC2)ns1 ZINC000596187514 506299673 /nfs/dbraw/zinc/29/96/73/506299673.db2.gz PEXVAQBAOBDWOA-UHFFFAOYSA-N 0 2 368.846 3.070 20 5 FGBDLN CCc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cnn1-c1ccccc1 ZINC000469489888 502438025 /nfs/dbraw/zinc/43/80/25/502438025.db2.gz LVIZXCKJBXOQFB-UHFFFAOYSA-N 0 2 352.350 3.301 20 5 FGBDLN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000480005568 502443783 /nfs/dbraw/zinc/44/37/83/502443783.db2.gz YUQDCEVFMINRHL-QAPCUYQASA-N 0 2 356.378 3.259 20 5 FGBDLN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000473087482 502516950 /nfs/dbraw/zinc/51/69/50/502516950.db2.gz SCNHUZSAMMAQFS-JSGCOSHPSA-N 0 2 358.350 3.060 20 5 FGBDLN Cn1c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2nc1C1CC1 ZINC000469878466 502581220 /nfs/dbraw/zinc/58/12/20/502581220.db2.gz GDKBLOXHNVWDEP-UHFFFAOYSA-N 0 2 352.350 3.317 20 5 FGBDLN O=C(NCc1ccccc1N1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469895075 502587505 /nfs/dbraw/zinc/58/75/05/502587505.db2.gz CNLQQNDUYXJDEX-UHFFFAOYSA-N 0 2 355.394 3.221 20 5 FGBDLN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000488352926 502691427 /nfs/dbraw/zinc/69/14/27/502691427.db2.gz HSBOXSWTWSAEPL-SECBINFHSA-N 0 2 370.818 3.217 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000509573428 502937940 /nfs/dbraw/zinc/93/79/40/502937940.db2.gz XIUVMEPLCPYORA-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509575974 502938774 /nfs/dbraw/zinc/93/87/74/502938774.db2.gz YYPJMZHQJYNWBA-UHFFFAOYSA-N 0 2 350.396 3.411 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000544621212 504194245 /nfs/dbraw/zinc/19/42/45/504194245.db2.gz PODCKAGFIPHQJS-GFCCVEGCSA-N 0 2 364.427 3.180 20 5 FGBDLN COc1cccc(C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000541861501 504280460 /nfs/dbraw/zinc/28/04/60/504280460.db2.gz ZTFUQHSJBKQXNM-CQSZACIVSA-N 0 2 356.378 3.156 20 5 FGBDLN O=C(Nc1cc(Br)cc(Cl)c1O)c1ccc([N+](=O)[O-])cn1 ZINC000534940619 504285986 /nfs/dbraw/zinc/28/59/86/504285986.db2.gz OPUBOBOKCYCSGE-UHFFFAOYSA-N 0 2 372.562 3.364 20 5 FGBDLN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000542447191 504493638 /nfs/dbraw/zinc/49/36/38/504493638.db2.gz YNBQVTHEGCOQAK-UHFFFAOYSA-N 0 2 373.756 3.294 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(C3CC3)cs2)c1 ZINC000542714157 504584876 /nfs/dbraw/zinc/58/48/76/504584876.db2.gz RETHDYJKSIFCEK-UHFFFAOYSA-N 0 2 353.425 3.346 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000551050401 505147934 /nfs/dbraw/zinc/14/79/34/505147934.db2.gz HTVLNDLPRZQQQF-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN O=C(NCCCc1c[nH]c2ccc(F)cc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000560712210 505167528 /nfs/dbraw/zinc/16/75/28/505167528.db2.gz RXEBENADQZZZDW-UHFFFAOYSA-N 0 2 357.341 3.283 20 5 FGBDLN COC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(Cl)c1F ZINC000563699125 505214839 /nfs/dbraw/zinc/21/48/39/505214839.db2.gz UTKIOHNHLHLKME-UHFFFAOYSA-N 0 2 368.704 3.132 20 5 FGBDLN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000552050358 505382475 /nfs/dbraw/zinc/38/24/75/505382475.db2.gz ATMQSDALLJXPCI-LLVKDONJSA-N 0 2 369.160 3.471 20 5 FGBDLN O=C(N=c1cc(-c2ccc(Cl)s2)[nH][nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552122410 505407163 /nfs/dbraw/zinc/40/71/63/505407163.db2.gz YFEVCWWMPUTGAE-UHFFFAOYSA-N 0 2 364.770 3.080 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCCC2 ZINC000593215732 506472046 /nfs/dbraw/zinc/47/20/46/506472046.db2.gz OBMMVCQCAYSAEQ-UHFFFAOYSA-N 0 2 362.407 3.283 20 5 FGBDLN CCCCOc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000603915163 506656721 /nfs/dbraw/zinc/65/67/21/506656721.db2.gz QHTWVKODVOGDAD-UHFFFAOYSA-N 0 2 358.394 3.452 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000603970391 506676019 /nfs/dbraw/zinc/67/60/19/506676019.db2.gz UHDJBMGXBZBHPP-UHFFFAOYSA-N 0 2 358.322 3.305 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)ccc1[N+](=O)[O-] ZINC000609691007 506975446 /nfs/dbraw/zinc/97/54/46/506975446.db2.gz PAOYWHOPBUNTRN-UHFFFAOYSA-N 0 2 367.452 3.429 20 5 FGBDLN COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1F ZINC000600778320 507116961 /nfs/dbraw/zinc/11/69/61/507116961.db2.gz WVBMGUWOBNHCHR-GFCCVEGCSA-N 0 2 360.341 3.078 20 5 FGBDLN COC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCc2ccccc21 ZINC000600795338 507125410 /nfs/dbraw/zinc/12/54/10/507125410.db2.gz ZZLPJDJHFHGPRT-ACJLOTCBSA-N 0 2 370.405 3.465 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000598196860 507308279 /nfs/dbraw/zinc/30/82/79/507308279.db2.gz CGVRNWNCDXIKRD-OAHLLOKOSA-N 0 2 360.341 3.425 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cc(C)n([C@@H](C)CC)n2)cc1[N+](=O)[O-] ZINC000584593572 507429669 /nfs/dbraw/zinc/42/96/69/507429669.db2.gz DVMCWJSBVBUBKS-NSHDSACASA-N 0 2 366.443 3.434 20 5 FGBDLN CCCCc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[nH]n1 ZINC000598733972 507573428 /nfs/dbraw/zinc/57/34/28/507573428.db2.gz HOECXOSDLZPWQS-UHFFFAOYSA-N 0 2 352.416 3.078 20 5 FGBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]nc1C(C)C ZINC000592385057 507632581 /nfs/dbraw/zinc/63/25/81/507632581.db2.gz MNTDJVJAZWVUNO-UHFFFAOYSA-N 0 2 358.807 3.204 20 5 FGBDLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000532315688 562473600 /nfs/dbraw/zinc/47/36/00/562473600.db2.gz JBLWKOKYCGIHRJ-UHFFFAOYSA-N 0 2 364.317 3.033 20 5 FGBDLN O=C([O-])c1cc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)cc1Cl ZINC000740097911 600943142 /nfs/dbraw/zinc/94/31/42/600943142.db2.gz WITMTZTWHPIMHQ-UHFFFAOYSA-N 0 2 360.757 3.249 20 5 FGBDLN Cc1cccn2cc(CCNc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)[nH+]c12 ZINC000832897281 602321370 /nfs/dbraw/zinc/32/13/70/602321370.db2.gz NWRXUDACICCJJL-UHFFFAOYSA-N 0 2 354.366 3.212 20 5 FGBDLN O=C([O-])Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000740711832 602502616 /nfs/dbraw/zinc/50/26/16/602502616.db2.gz GBHJBTNHUCJOEL-UHFFFAOYSA-N 0 2 367.321 3.123 20 5 FGBDLN CCc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000164879170 705333721 /nfs/dbraw/zinc/33/37/21/705333721.db2.gz NJEDNCDXBKHZBJ-UHFFFAOYSA-N 0 2 359.791 3.216 20 5 FGBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)C=Cc3ccc(F)cc3)c2c1 ZINC000255625111 713702520 /nfs/dbraw/zinc/70/25/20/713702520.db2.gz BVJOTAVPGFAMEO-FPLPWBNLSA-N 0 2 362.342 3.023 20 5 FGBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000619466295 714839315 /nfs/dbraw/zinc/83/93/15/714839315.db2.gz JTDVEAAKFHDHBM-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CSc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn1 ZINC000752195118 722848159 /nfs/dbraw/zinc/84/81/59/722848159.db2.gz IIVVNBGIGGORHQ-UHFFFAOYSA-N 0 2 373.843 3.474 20 5 FGBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2cc(Cl)ccc2[nH]1 ZINC000772964358 723773489 /nfs/dbraw/zinc/77/34/89/723773489.db2.gz QRUYZJOJKHLXDS-QMMMGPOBSA-N 0 2 360.757 3.321 20 5 FGBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCO3)cc1Cl ZINC000798247634 723918251 /nfs/dbraw/zinc/91/82/51/723918251.db2.gz UBQBDFYQRZIQIU-UHFFFAOYSA-N 0 2 372.761 3.123 20 5 FGBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc2[nH]ncc21 ZINC000777937526 724273065 /nfs/dbraw/zinc/27/30/65/724273065.db2.gz SNKHIIBBBOROJE-UHFFFAOYSA-N 0 2 364.358 3.028 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000842580772 730515481 /nfs/dbraw/zinc/51/54/81/730515481.db2.gz HSFRKNQUDOGKBY-UHFFFAOYSA-N 0 2 364.427 3.270 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000007708611 494037495 /nfs/dbraw/zinc/03/74/95/494037495.db2.gz NLUGSKBYWYBJPR-UHFFFAOYSA-N 0 2 372.786 3.066 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(COc2ccccc2)CC1 ZINC000065675854 494224373 /nfs/dbraw/zinc/22/43/73/494224373.db2.gz MVGVVWKTDPYITC-UHFFFAOYSA-N 0 2 356.378 3.232 20 5 FGBDLN CCc1ccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cc1[N+](=O)[O-] ZINC000568511246 505712846 /nfs/dbraw/zinc/71/28/46/505712846.db2.gz KDBDZMJAHAILEV-NSHDSACASA-N 0 2 364.427 3.126 20 5 FGBDLN O=C(CCc1cnn(-c2ccccc2)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541053 494322524 /nfs/dbraw/zinc/32/25/24/494322524.db2.gz OGPVMDSKEKTCHJ-UHFFFAOYSA-N 0 2 352.350 3.057 20 5 FGBDLN COc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000055558231 494360607 /nfs/dbraw/zinc/36/06/07/494360607.db2.gz GBIHOQYLIPJGKA-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055586365 494367704 /nfs/dbraw/zinc/36/77/04/494367704.db2.gz XSHMWQTXGUORGC-UHFFFAOYSA-N 0 2 350.396 3.357 20 5 FGBDLN CC(C)(C)Oc1cccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000092545961 494664742 /nfs/dbraw/zinc/66/47/42/494664742.db2.gz NFYLYHYSVQMFLB-UHFFFAOYSA-N 0 2 359.382 3.444 20 5 FGBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C2CCCC2)n[nH]1 ZINC000126839008 494847954 /nfs/dbraw/zinc/84/79/54/494847954.db2.gz CPNYZFQMKHXTNA-UHFFFAOYSA-N 0 2 350.400 3.085 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000093929402 494936340 /nfs/dbraw/zinc/93/63/40/494936340.db2.gz FRNJLWKHXDNKAK-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN O=C(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119265793 495130183 /nfs/dbraw/zinc/13/01/83/495130183.db2.gz KVCOCWKHZHRFKC-UHFFFAOYSA-N 0 2 358.741 3.392 20 5 FGBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(c3ccc(C)[nH+]c3)CC2)n1 ZINC000571646067 505781737 /nfs/dbraw/zinc/78/17/37/505781737.db2.gz XWQCRAOQPCJMFL-UHFFFAOYSA-N 0 2 356.382 3.084 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1 ZINC000142069000 495513559 /nfs/dbraw/zinc/51/35/59/495513559.db2.gz SKMHBAIPQFKIJJ-UHFFFAOYSA-N 0 2 374.321 3.006 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000179391463 495572895 /nfs/dbraw/zinc/57/28/95/495572895.db2.gz MHLTUNCBBIFZKK-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000179447772 495595283 /nfs/dbraw/zinc/59/52/83/495595283.db2.gz ULSLMIOLKSQGOQ-UHFFFAOYSA-N 0 2 366.377 3.197 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000185516014 495607779 /nfs/dbraw/zinc/60/77/79/495607779.db2.gz VBYHYGNYFDUDSS-LBPRGKRZSA-N 0 2 362.769 3.247 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1C ZINC000176586277 495709116 /nfs/dbraw/zinc/70/91/16/495709116.db2.gz WJGVOMJBHPIVNM-UHFFFAOYSA-N 0 2 370.456 3.062 20 5 FGBDLN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000171341729 495827807 /nfs/dbraw/zinc/82/78/07/495827807.db2.gz QAZLUPBYDYGNMT-SECBINFHSA-N 0 2 370.818 3.217 20 5 FGBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000180353021 495963072 /nfs/dbraw/zinc/96/30/72/495963072.db2.gz SRGHMTSLJKVSTQ-UHFFFAOYSA-N 0 2 372.406 3.198 20 5 FGBDLN COc1cccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000184428713 496380081 /nfs/dbraw/zinc/38/00/81/496380081.db2.gz DJYFAZKDJLVBBM-UHFFFAOYSA-N 0 2 356.378 3.329 20 5 FGBDLN CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187483769 496461132 /nfs/dbraw/zinc/46/11/32/496461132.db2.gz MAHRSMZTVGEXGP-AWEZNQCLSA-N 0 2 355.394 3.041 20 5 FGBDLN COc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184716476 496505383 /nfs/dbraw/zinc/50/53/83/496505383.db2.gz UCOVBAPUIQKOPP-CQSZACIVSA-N 0 2 356.378 3.156 20 5 FGBDLN Cc1ccc(-c2nc(CCNC(=O)c3ccc([N+](=O)[O-])cc3O)co2)cc1 ZINC000184735737 496512495 /nfs/dbraw/zinc/51/24/95/496512495.db2.gz HLGZAEMSSBAJRF-UHFFFAOYSA-N 0 2 367.361 3.236 20 5 FGBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187749494 496556798 /nfs/dbraw/zinc/55/67/98/496556798.db2.gz ISHIXFHFQNJGOM-LLVKDONJSA-N 0 2 364.427 3.126 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000187755126 496559033 /nfs/dbraw/zinc/55/90/33/496559033.db2.gz UGNVJMMWPUUBRO-ABAIWWIYSA-N 0 2 362.407 3.090 20 5 FGBDLN Cc1cc(Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n[nH]1 ZINC000164039989 496581432 /nfs/dbraw/zinc/58/14/32/496581432.db2.gz UHQZPNCJFUHCHN-UHFFFAOYSA-N 0 2 374.378 3.219 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000187841032 496591424 /nfs/dbraw/zinc/59/14/24/496591424.db2.gz NUYXNXIWSWXOEA-ZBFHGGJFSA-N 0 2 360.410 3.445 20 5 FGBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(F)c2F)c2cccnc21 ZINC000184967894 496604067 /nfs/dbraw/zinc/60/40/67/496604067.db2.gz CZZBGCHMZBSVCF-UHFFFAOYSA-N 0 2 365.317 3.222 20 5 FGBDLN CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000181997056 496628705 /nfs/dbraw/zinc/62/87/05/496628705.db2.gz PJKMAOVRJIYBNK-ZDUSSCGKSA-N 0 2 358.394 3.402 20 5 FGBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179095632 496672525 /nfs/dbraw/zinc/67/25/25/496672525.db2.gz WTHKFEPCSKKGQU-UHFFFAOYSA-N 0 2 358.379 3.094 20 5 FGBDLN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1cc([N+](=O)[O-])ccc1O ZINC000182172813 496697064 /nfs/dbraw/zinc/69/70/64/496697064.db2.gz ZJWORLUJBBTTMB-SFHVURJKSA-N 0 2 367.336 3.354 20 5 FGBDLN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1C[C@@H]1CCCO1 ZINC000194903862 496755725 /nfs/dbraw/zinc/75/57/25/496755725.db2.gz FYPKQWMMIADBFL-UGSOOPFHSA-N 0 2 369.377 3.046 20 5 FGBDLN COc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000188573327 496836534 /nfs/dbraw/zinc/83/65/34/496836534.db2.gz MNXCMUQEKYUUGJ-UHFFFAOYSA-N 0 2 360.750 3.197 20 5 FGBDLN CCn1ncc2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc21 ZINC000195328293 496890158 /nfs/dbraw/zinc/89/01/58/496890158.db2.gz DWMYGKTWOBFHOS-UHFFFAOYSA-N 0 2 360.395 3.074 20 5 FGBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000191792464 496890467 /nfs/dbraw/zinc/89/04/67/496890467.db2.gz CRZRDEDHFAUCTL-UHFFFAOYSA-N 0 2 364.427 3.100 20 5 FGBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c1C ZINC000195533104 496950451 /nfs/dbraw/zinc/95/04/51/496950451.db2.gz IKVBRVGPQHHUTH-UHFFFAOYSA-N 0 2 356.787 3.371 20 5 FGBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1C(=O)N(C)C(C)C ZINC000192545551 497146017 /nfs/dbraw/zinc/14/60/17/497146017.db2.gz OHHRBYCVOFFACL-UHFFFAOYSA-N 0 2 371.393 3.342 20 5 FGBDLN CCc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3O)CCO2)cc1 ZINC000190894820 497636069 /nfs/dbraw/zinc/63/60/69/497636069.db2.gz SLNUIUXSMRLTKG-GOSISDBHSA-N 0 2 356.378 3.077 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000194802890 497777020 /nfs/dbraw/zinc/77/70/20/497777020.db2.gz ZCLKGVWZSUBISM-UHFFFAOYSA-N 0 2 374.806 3.083 20 5 FGBDLN Cc1nc(-c2cccc(-c3noc(-c4ccc([N+](=O)[O-])c(O)c4)n3)c2)n[nH]1 ZINC000350647822 498127443 /nfs/dbraw/zinc/12/74/43/498127443.db2.gz UHVGNNBJIOXKGH-UHFFFAOYSA-N 0 2 364.321 3.111 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000290442976 498554488 /nfs/dbraw/zinc/55/44/88/498554488.db2.gz BKYHSOGOVIWDBF-AWEZNQCLSA-N 0 2 372.381 3.318 20 5 FGBDLN CC(=O)N(c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1)[C@H]1C[C@@H]1C ZINC000294228408 498626957 /nfs/dbraw/zinc/62/69/57/498626957.db2.gz RJDNROHZVIGYKD-GTNSWQLSSA-N 0 2 369.377 3.314 20 5 FGBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OC)cc1Cl ZINC000326794150 498847763 /nfs/dbraw/zinc/84/77/63/498847763.db2.gz YGFQLZFLCSVQSS-UHFFFAOYSA-N 0 2 352.730 3.223 20 5 FGBDLN CCc1ccccc1N1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000368502340 499302495 /nfs/dbraw/zinc/30/24/95/499302495.db2.gz GAGWBPSJLXGQRX-UHFFFAOYSA-N 0 2 369.421 3.262 20 5 FGBDLN Cc1ccc(-c2ccnn2C)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000410195589 499648139 /nfs/dbraw/zinc/64/81/39/499648139.db2.gz ZJTHBAQNSZEJSD-UHFFFAOYSA-N 0 2 352.350 3.262 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1Cl ZINC000410410537 499661129 /nfs/dbraw/zinc/66/11/29/499661129.db2.gz YCHUYFFJSGXHIT-UHFFFAOYSA-N 0 2 356.787 3.448 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c(C)cc1[N+](=O)[O-] ZINC000414384022 499784458 /nfs/dbraw/zinc/78/44/58/499784458.db2.gz RXOWEVAXBKWAKX-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN CSc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000570430268 506166493 /nfs/dbraw/zinc/16/64/93/506166493.db2.gz JRQFBPGNLJLUMU-UHFFFAOYSA-N 0 2 353.425 3.129 20 5 FGBDLN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc([N+](=O)[O-])cc1O ZINC000436930563 500573448 /nfs/dbraw/zinc/57/34/48/500573448.db2.gz YBZWAEOPUBWIPD-MRXNPFEDSA-N 0 2 370.409 3.419 20 5 FGBDLN COCCC[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000437003987 500591574 /nfs/dbraw/zinc/59/15/74/500591574.db2.gz UGGZFZUKPLUIDM-OAHLLOKOSA-N 0 2 358.394 3.068 20 5 FGBDLN COc1cccc(C2(F)CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000436487850 501136970 /nfs/dbraw/zinc/13/69/70/501136970.db2.gz KXRYCLOXHVUXDJ-UHFFFAOYSA-N 0 2 374.368 3.410 20 5 FGBDLN Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436534520 501150344 /nfs/dbraw/zinc/15/03/44/501150344.db2.gz LHCIFDRZPWPPBZ-UHFFFAOYSA-N 0 2 372.768 3.122 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)Cc2ccc(C)cc2F)c([N+](=O)[O-])c1 ZINC000446758659 501162392 /nfs/dbraw/zinc/16/23/92/501162392.db2.gz LBYFHAKOJGTVHF-UHFFFAOYSA-N 0 2 368.386 3.383 20 5 FGBDLN Cn1ccnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436864088 501223335 /nfs/dbraw/zinc/22/33/35/501223335.db2.gz XRRCYOHREWWJTL-UHFFFAOYSA-N 0 2 370.390 3.437 20 5 FGBDLN COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000456926249 501620680 /nfs/dbraw/zinc/62/06/80/501620680.db2.gz RKTPPHAWDKIDMQ-CTYIDZIISA-N 0 2 356.378 3.327 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592827856 506267621 /nfs/dbraw/zinc/26/76/21/506267621.db2.gz RAHBPPQWZOLQER-SFHVURJKSA-N 0 2 370.405 3.104 20 5 FGBDLN CCCc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000486105828 502048544 /nfs/dbraw/zinc/04/85/44/502048544.db2.gz FSXFMSYQLBWJTB-UHFFFAOYSA-N 0 2 371.440 3.122 20 5 FGBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000478698497 502061322 /nfs/dbraw/zinc/06/13/22/502061322.db2.gz IRLPUBVRPTXZGM-JTQLQIEISA-N 0 2 350.400 3.008 20 5 FGBDLN COc1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(F)c1 ZINC000479114383 502167799 /nfs/dbraw/zinc/16/77/99/502167799.db2.gz JVBJMAJVXBAARJ-UHFFFAOYSA-N 0 2 354.359 3.160 20 5 FGBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475825830 502302246 /nfs/dbraw/zinc/30/22/46/502302246.db2.gz MKTPOJMHECCYRG-UHFFFAOYSA-N 0 2 370.406 3.004 20 5 FGBDLN O=C(NCc1cccc(OCC(F)(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469518080 502448681 /nfs/dbraw/zinc/44/86/81/502448681.db2.gz YXDBREBZVBCPCP-UHFFFAOYSA-N 0 2 370.283 3.172 20 5 FGBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cc3c(cc2C)OCO3)c1[N+](=O)[O-] ZINC000480206606 502501870 /nfs/dbraw/zinc/50/18/70/502501870.db2.gz AQZVTHUDENWBBF-UHFFFAOYSA-N 0 2 364.379 3.050 20 5 FGBDLN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000592988197 506324300 /nfs/dbraw/zinc/32/43/00/506324300.db2.gz VGGOFKNUVJAIDN-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN CCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1C ZINC000477321485 502742253 /nfs/dbraw/zinc/74/22/53/502742253.db2.gz SVBFDRQBPZMSTP-UHFFFAOYSA-N 0 2 350.396 3.275 20 5 FGBDLN CCOc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1OC ZINC000466977393 502744907 /nfs/dbraw/zinc/74/49/07/502744907.db2.gz PRYGDCWASBVCIH-UHFFFAOYSA-N 0 2 372.424 3.173 20 5 FGBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000505611527 502950056 /nfs/dbraw/zinc/95/00/56/502950056.db2.gz LRQPYAGFCGDTRX-VIFPVBQESA-N 0 2 352.293 3.393 20 5 FGBDLN O=C(NCc1ccc(Br)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509851238 502998627 /nfs/dbraw/zinc/99/86/27/502998627.db2.gz NSWHEXHWAMMSBQ-UHFFFAOYSA-N 0 2 369.146 3.132 20 5 FGBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(Cc2cccc(F)c2)CCOCC1 ZINC000490605373 503202509 /nfs/dbraw/zinc/20/25/09/503202509.db2.gz KCJJJCLTODNCCU-UHFFFAOYSA-N 0 2 374.368 3.418 20 5 FGBDLN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000493322012 503421595 /nfs/dbraw/zinc/42/15/95/503421595.db2.gz PZUKMOYSWZMXDZ-UHFFFAOYSA-N 0 2 369.377 3.065 20 5 FGBDLN COc1ccc(CC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000509046121 503629259 /nfs/dbraw/zinc/62/92/59/503629259.db2.gz BEHKDLQYHOOWBP-UHFFFAOYSA-N 0 2 370.405 3.404 20 5 FGBDLN O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000540174705 503696902 /nfs/dbraw/zinc/69/69/02/503696902.db2.gz VGPPNDKSWNVXQO-UHFFFAOYSA-N 0 2 356.256 3.129 20 5 FGBDLN CCOc1ccc(Cl)cc1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000533822931 503962017 /nfs/dbraw/zinc/96/20/17/503962017.db2.gz WKCIJGQTPHFOEF-UHFFFAOYSA-N 0 2 364.785 3.325 20 5 FGBDLN CN(Cc1ccc(Br)s1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537732082 504020229 /nfs/dbraw/zinc/02/02/29/504020229.db2.gz GZAZIMVURUKNQB-UHFFFAOYSA-N 0 2 371.212 3.397 20 5 FGBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000544621213 504194320 /nfs/dbraw/zinc/19/43/20/504194320.db2.gz PODCKAGFIPHQJS-LBPRGKRZSA-N 0 2 364.427 3.180 20 5 FGBDLN CCOc1ccc(Cl)cc1CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000538387861 504230706 /nfs/dbraw/zinc/23/07/06/504230706.db2.gz WTWBTFGHRVPZMS-UHFFFAOYSA-N 0 2 364.785 3.325 20 5 FGBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C2CCCCC2)C(F)(F)F)s1 ZINC000541826304 504266283 /nfs/dbraw/zinc/26/62/83/504266283.db2.gz OUAKURMXBFYVSV-LLVKDONJSA-N 0 2 372.390 3.446 20 5 FGBDLN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000539469610 504582227 /nfs/dbraw/zinc/58/22/27/504582227.db2.gz REFOHELXFDGEGR-XJKSGUPXSA-N 0 2 362.769 3.214 20 5 FGBDLN O=C(Nc1cc(Br)ccc1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000556952327 505028145 /nfs/dbraw/zinc/02/81/45/505028145.db2.gz XJTMATKDNQDKOY-UHFFFAOYSA-N 0 2 353.128 3.021 20 5 FGBDLN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1 ZINC000560729014 505172423 /nfs/dbraw/zinc/17/24/23/505172423.db2.gz YTEZVTZPFMGXAK-UHFFFAOYSA-N 0 2 371.378 3.060 20 5 FGBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000554631841 505227617 /nfs/dbraw/zinc/22/76/17/505227617.db2.gz GLCLSLRKDLINOY-AWEZNQCLSA-N 0 2 362.769 3.247 20 5 FGBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000555005892 505326750 /nfs/dbraw/zinc/32/67/50/505326750.db2.gz FMYDMSFHHCFYHD-UHFFFAOYSA-N 0 2 367.365 3.339 20 5 FGBDLN CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000551945499 505350664 /nfs/dbraw/zinc/35/06/64/505350664.db2.gz GDDZZNGFPAJXCC-UHFFFAOYSA-N 0 2 366.395 3.111 20 5 FGBDLN COc1cc(F)c(F)cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000555129352 505358691 /nfs/dbraw/zinc/35/86/91/505358691.db2.gz KGZPVZQJPJHKLG-UHFFFAOYSA-N 0 2 372.349 3.299 20 5 FGBDLN CC1(C)CCCc2sc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])nc21 ZINC000589596871 506596083 /nfs/dbraw/zinc/59/60/83/506596083.db2.gz OALOLLKOSXIQTH-UHFFFAOYSA-N 0 2 367.452 3.466 20 5 FGBDLN C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734158 506751777 /nfs/dbraw/zinc/75/17/77/506751777.db2.gz XAGVXCHVXUAOTO-SCLBCKFNSA-N 0 2 356.378 3.255 20 5 FGBDLN C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734158 506751782 /nfs/dbraw/zinc/75/17/82/506751782.db2.gz XAGVXCHVXUAOTO-SCLBCKFNSA-N 0 2 356.378 3.255 20 5 FGBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609091928 506771584 /nfs/dbraw/zinc/77/15/84/506771584.db2.gz JRVYEFSZAZYIQU-UHFFFAOYSA-N 0 2 366.312 3.253 20 5 FGBDLN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593853235 506804303 /nfs/dbraw/zinc/80/43/03/506804303.db2.gz XSERMGQZUCLJBT-LBPRGKRZSA-N 0 2 364.398 3.027 20 5 FGBDLN Cc1cc(S(=O)(=O)Nc2ccc3scnc3c2)c(F)cc1[N+](=O)[O-] ZINC000590598341 506873324 /nfs/dbraw/zinc/87/33/24/506873324.db2.gz RDVMSBYHLVJRCA-UHFFFAOYSA-N 0 2 367.383 3.453 20 5 FGBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000583709277 506927975 /nfs/dbraw/zinc/92/79/75/506927975.db2.gz ULIFUSUKXMFSIN-UHFFFAOYSA-N 0 2 356.787 3.366 20 5 FGBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000609812392 507011882 /nfs/dbraw/zinc/01/18/82/507011882.db2.gz GLCPWUCZLRDMOE-UHFFFAOYSA-N 0 2 355.422 3.375 20 5 FGBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(C2CCOCC2)c1 ZINC000600662576 507053108 /nfs/dbraw/zinc/05/31/08/507053108.db2.gz PIRVCYWHEDIWTA-UHFFFAOYSA-N 0 2 362.407 3.290 20 5 FGBDLN COc1ccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000598197065 507307696 /nfs/dbraw/zinc/30/76/96/507307696.db2.gz LYEITMDVWDCNGM-CQSZACIVSA-N 0 2 360.341 3.425 20 5 FGBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(Oc2ccccc2F)CC1 ZINC000601740111 507445075 /nfs/dbraw/zinc/44/50/75/507445075.db2.gz WXSRLXHADVMYEI-UHFFFAOYSA-N 0 2 360.341 3.123 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598711925 507564213 /nfs/dbraw/zinc/56/42/13/507564213.db2.gz HOVQLQNHJPSZIJ-UHFFFAOYSA-N 0 2 352.416 3.033 20 5 FGBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)c(C)c1[N+](=O)[O-] ZINC000598711925 507564217 /nfs/dbraw/zinc/56/42/17/507564217.db2.gz HOVQLQNHJPSZIJ-UHFFFAOYSA-N 0 2 352.416 3.033 20 5 FGBDLN CCCCc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598734431 507573965 /nfs/dbraw/zinc/57/39/65/507573965.db2.gz MPKFRCQDCBLLSC-UHFFFAOYSA-N 0 2 370.456 3.207 20 5 FGBDLN